A0A3Q0KKS9_SCHMA Loading...

Tyrosine-protein kinase

AlphaFold DB , UniProt , Accession A0A3Q0KKS9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 719 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
1M25.5Very low64.6Low236 Ų23693.2 Ų93.2100%1.16353%0.53SS*.  0116.70-69.3176.7-169.200107.1E3M1-E3 PolarHBondContact O-N 3.49Å
2M28.4Very low66.6Low200 Ų20085.4 Ų85.499%0.98549%0.485SS*.  trans-69.6107168.8-76.9-176.7-165.700107C4M2-C4 PolarHBondContact O-N 3.12Å
3E38.4Very low68.1Low183 Ų18384.5 Ų84.586%0.85547%0.472SS*.  trans-59.2124.3168.6-76.1179.2149.800108.3M1 G5M1-E3 PolarHBondContact O-N 3.49Å; E3-G5 PolarHBondContact O-N 3.33Å
4C47.1Very low69.5Low60 Ų6078.4 Ų78.441%0.40544%0.439SS..  trans-59.2109.6172.9-174.60000107.6M2 F6 P43M2-C4 PolarHBondContact O-N 3.12Å; C4-F6 PolarHBondContact O-N 3.15Å; C4-P43 PolarHBondContact SG-O 2.72Å; C4-P43 VanDerWaalsContact SG-O 3.35Å
5G63.2Low69.9Low44 Ų4476.8 Ų76.845%0.45443%0.429SS..  trans-70.6-13.5-16500000114.9E3 R65E3-G5 PolarHBondContact O-N 3.33Å; G5-R65 PolarHBondContact O-NH1 2.9Å; G5-R65 PolarHBondContact O-NH2 2.97Å
6F76.5Confident70.8Confident39 Ų3980.6 Ų80.617%0.17144%0.436CS..  trans-79.5145.9-176.3-65.7-80.7000112C4 D10 V12 I36 I39 L60 V63 R65C4-F6 PolarHBondContact O-N 3.15Å; F6-D10 WeakPolarHBondContact CA-OD2 3.37Å; F6-V12 HydrophobicContact CD1-CG1 4Å; F6-V12 HydrophobicContact CE1-CG1 3.77Å; F6-I36 HydrophobicContact CB-CD1 3.81Å; F6-I36 HydrophobicContact CD1-CD1 3.63Å; F6-I36 HydrophobicContact CE1-CD1 4.44Å; F6-I36 HydrophobicContact CG-CD1 3.93Å; F6-I39 HydrophobicContact CB-CD1 3.77Å; F6-L60 HydrophobicContact CB-CD2 4.18Å; F6-L60 HydrophobicContact CD1-CD2 4.36Å; F6-L60 HydrophobicContact CD2-CB 4.31Å; F6-L60 HydrophobicContact CD2-CD1 4.12Å; F6-L60 HydrophobicContact CD2-CD2 3.69Å; F6-L60 HydrophobicContact CD2-CG 4.27Å; F6-L60 HydrophobicContact CE2-CB 4.23Å; F6-L60 HydrophobicContact CE2-CD2 4.08Å; F6-L60 HydrophobicContact CG-CD2 3.83Å; F6-V63 HydrophobicContact CZ-CG2 4.33Å; F6-R65 HydrophobicContact CD1-CG 4.38Å; F6-R65 HydrophobicContact CE1-CB 4.08Å; F6-R65 HydrophobicContact CE1-CG 4.34Å
7K82.8Confident71.9Confident86 Ų8680.5 Ų80.537%0.37444%0.438SS..  trans-133.9161.5177.560.5-175.7178.9-166.30111.5G9 D10K7-G9 PolarHBondContact O-N 3.34Å; K7-D10 VanDerWaalsContact CE-OD1 3.26Å; K7-D10 WeakPolarHBondContact CE-OD1 3.41Å; K7-D10 VanDerWaalsContact CG-OD1 3.3Å; K7-D10 WeakPolarHBondContact CG-OD1 3.5Å; K7-D10 WeakPolarHBondContact CG-OD2 3.39Å; K7-D10 PolarHBondContact N-OD2 2.83Å; K7-D10 VanDerWaalsContact O-CB 3.28Å; K7-D10 WeakPolarHBondContact O-CB 3.46Å; K7-D10 PolarHBondContact O-N 2.68Å; K7-D10 VanDerWaalsContact O-N 3.1Å
8A87.6Confident73Confident65 Ų6577.1 Ų77.154%0.53742%0.419SS..THydrogen-bonded Turntrans-53.8134.9169.200000110.6I37A8-I37 WeakPolarHBondContact CB-O 3.32Å
9G85.6Confident73.9Confident49 Ų4981.9 Ų81.951%0.50544%0.436SS..THydrogen-bonded Turntrans87.6-5.5-174.900000115K7 V11 I36K7-G9 PolarHBondContact O-N 3.34Å; G9-V11 PolarHBondContact O-N 3.22Å; G9-I36 PolarHBondContact N-O 2.89Å
10D86.7Confident74.6Confident9 Ų983.4 Ų83.45%0.04844%0.438CS..  trans-67.5123.3175.6-80.2-16.9000111.1F6 K7 V12 I36 R65F6-D10 WeakPolarHBondContact CA-OD2 3.37Å; K7-D10 VanDerWaalsContact CE-OD1 3.26Å; K7-D10 WeakPolarHBondContact CE-OD1 3.41Å; K7-D10 VanDerWaalsContact CG-OD1 3.3Å; K7-D10 WeakPolarHBondContact CG-OD1 3.5Å; K7-D10 WeakPolarHBondContact CG-OD2 3.39Å; K7-D10 PolarHBondContact N-OD2 2.83Å; K7-D10 VanDerWaalsContact O-CB 3.28Å; K7-D10 WeakPolarHBondContact O-CB 3.46Å; K7-D10 PolarHBondContact O-N 2.68Å; K7-D10 VanDerWaalsContact O-N 3.1Å; D10-V12 HydrophobicContact CB-CG1 4.47Å; D10-I36 HydrophobicContact CB-CB 4.42Å; D10-I36 HydrophobicContact CB-CD1 4.25Å; D10-I36 PolarHBondContact O-N 3.17Å; D10-R65 HydrophobicContact CB-CG 3.94Å; D10-R65 IonicContact OD1-NH1 3.42Å; D10-R65 WeakPolarHBondContact OD2-CD 3.22Å; D10-R65 IonicContact OD2-CZ 3.82Å; D10-R65 IonicContact OD2-NE 3.6Å; D10-R65 IonicContact OD2-NH1 3.71Å; D10-R65 PolarHBondContact OD2-NH1 3Å
11V88.9Confident74.9Confident54 Ų5486 Ų8633%0.32745%0.452SS..EExtended strand (participates in β ladder)trans-81.3129.4167.5-176.30000108.3G9 T33 L34 K66G9-V11 PolarHBondContact O-N 3.22Å; V11-T33 HydrophobicContact CG1-CG2 3.3Å; V11-L34 CarbonylContact C-O 3.54Å; V11-L34 WeakPolarHBondContact CA-O 3.38Å; V11-K66 HydrophobicContact CB-CB 4.13Å; V11-K66 HydrophobicContact CB-CD 4.38Å; V11-K66 HydrophobicContact CG1-CB 3.99Å; V11-K66 HydrophobicContact CG1-CD 3.66Å; V11-K66 HydrophobicContact CG1-CG 4.47Å; V11-K66 VanDerWaalsContact O-CB 3.27Å; V11-K66 WeakPolarHBondContact O-CB 3.3Å; V11-K66 PolarHBondContact O-N 3.3Å
12V88.2Confident77.8Confident0 Ų081.3 Ų81.30%043%0.425CS..EExtended strand (participates in β ladder)trans-125.8153.3-177.7-53.90000111.3F6 D10 T33 L34 I36 I58 V63 Q64 R65F6-V12 HydrophobicContact CD1-CG1 4Å; F6-V12 HydrophobicContact CE1-CG1 3.77Å; D10-V12 HydrophobicContact CB-CG1 4.47Å; V12-T33 CarbonylContact O-C 3.56Å; V12-T33 WeakPolarHBondContact O-CA 3.41Å; V12-L34 HydrophobicContact CG2-CB 3.75Å; V12-L34 HydrophobicContact CG2-CD1 4.43Å; V12-L34 PolarHBondContact N-O 3.02Å; V12-L34 PolarHBondContact O-N 3.24Å; V12-I36 HydrophobicContact CG1-CD1 3.64Å; V12-I36 HydrophobicContact CG1-CG1 4.02Å; V12-I36 HydrophobicContact CG2-CG1 4.5Å; V12-I58 HydrophobicContact CG2-CD1 4.28Å; V12-V63 HydrophobicContact CB-CB 3.9Å; V12-V63 HydrophobicContact CB-CG2 4.08Å; V12-V63 HydrophobicContact CG1-CG2 4.32Å; V12-V63 HydrophobicContact CG2-CB 3.72Å; V12-V63 HydrophobicContact CG2-CG1 3.94Å; V12-V63 HydrophobicContact CG2-CG2 3.92Å; V12-Q64 CarbonylContact C-O 3.53Å; V12-Q64 WeakPolarHBondContact CA-O 3.22Å; V12-Q64 WeakPolarHBondContact CB-O 3.32Å; V12-R65 HydrophobicContact CG1-CG 4.45Å
13K87Confident80.4Confident73 Ų7379 Ų7932%0.31742%0.417SS..EExtended strand (participates in β ladder)trans-113.3132.9175.1-175179.5178.7-1760109.5N15 N31 E32 V63 Q64 I69K13-N15 PolarHBondContact O-N 3.5Å; K13-N31 WeakPolarHBondContact CE-OD1 3.49Å; K13-N31 PolarHBondContact NZ-OD1 3.34Å; K13-E32 CarbonylContact C-O 3.55Å; K13-E32 WeakPolarHBondContact CA-O 3.44Å; K13-V63 WeakPolarHBondContact O-CA 3.42Å; K13-Q64 PolarHBondContact N-O 3.23Å; K13-Q64 PolarHBondContact O-N 3.32Å; K13-I69 HydrophobicContact CB-CD1 4.36Å; K13-I69 HydrophobicContact CD-CD1 4.09Å
14A87.1Confident82.9Confident0 Ų077 Ų770%041%0.407CS..EExtended strand (participates in β ladder)trans-71.2122.6178.500000112F28 S29 N31 E32A14-F28 HydrophobicContact CB-CD2 3.41Å; A14-F28 VanDerWaalsContact CB-CD2 3.41Å; A14-F28 HydrophobicContact CB-CE2 3.67Å; A14-F28 HydrophobicContact CB-CG 4.43Å; A14-S29 VanDerWaalsContact CB-O 3.29Å; A14-S29 WeakPolarHBondContact CB-O 3.36Å; A14-N31 WeakPolarHBondContact O-CA 3.22Å; A14-N31 PolarHBondContact O-N 3.49Å; A14-E32 HydrophobicContact CB-CB 4.49Å; A14-E32 PolarHBondContact N-O 2.95Å
15N75.9Confident85.1Confident54 Ų5474.5 Ų74.529%0.28939%0.39SS..SBendtrans-80.8-25.6174.4-73.9-22.4000112.4K13 K30 Y62K13-N15 PolarHBondContact O-N 3.5Å; N15-K30 WeakPolarHBondContact O-CD 3.47Å; N15-K30 WeakPolarHBondContact O-CE 3.48Å; N15-K30 WeakPolarHBondContact O-CG 3.46Å; N15-Y62 PolarHBondContact N-O 3.26Å
16Y84.2Confident86.6Confident137 Ų13772.7 Ų72.754%0.53737%0.37SS..SBendtrans-134.7163.5-179.8-50.1-75.9000110.2F28 Y62Y16-F28 WeakPolarHBondContact O-CE2 3.29Å; Y16-Y62 HydrophobicContact CD2-CD1 4.4Å; Y16-Y62 HydrophobicContact CD2-CG 4.41Å
17T89.5Confident87.5Confident79 Ų7973.6 Ų73.649%0.48538%0.38SS..  trans-81.3128.5168.1-63.80000108.6F28 K30T17-F28 CarbonylContact C-O 3.58Å; T17-F28 WeakPolarHBondContact CA-O 3.08Å; T17-F28 WeakPolarHBondContact CG2-O 3.37Å; T17-K30 PolarHBondContact OG1-N 2.69Å
18F91.6Very high88.1Confident20 Ų2069.8 Ų69.89%0.08836%0.363CS..BIsolated β-bridgetrans-108.1125.3174.6-179.5-119.2000109.6D25 L26 P27 F28 W45 P59 Y62F18-D25 HydrophobicContact CE1-CB 3.92Å; F18-D25 HydrophobicContact CZ-CB 4.28Å; F18-L26 WeakPolarHBondContact CD1-O 3.41Å; F18-P27 WeakPolarHBondContact O-CA 3.18Å; F18-F28 HydrophobicContact CB-CD1 3.93Å; F18-F28 HydrophobicContact CB-CD2 3.88Å; F18-F28 HydrophobicContact CB-CE1 3.47Å; F18-F28 VanDerWaalsContact CB-CE1 3.47Å; F18-F28 HydrophobicContact CB-CE2 3.44Å; F18-F28 VanDerWaalsContact CB-CE2 3.44Å; F18-F28 HydrophobicContact CB-CG 4.13Å; F18-F28 HydrophobicContact CB-CZ 3.22Å; F18-F28 HydrophobicContact CD1-CD1 4.08Å; F18-F28 AromaticContact CD1-CE1 3.56Å; F18-F28 HydrophobicContact CD1-CE1 3.56Å; F18-F28 HydrophobicContact CD1-CZ 4.1Å; F18-F28 HydrophobicContact CG-CD1 4.49Å; F18-F28 AromaticContact CG-CE1 3.84Å; F18-F28 HydrophobicContact CG-CE1 3.84Å; F18-F28 AromaticContact CG-CZ 3.89Å; F18-F28 HydrophobicContact CG-CZ 3.89Å; F18-F28 PolarHBondContact N-O 3.34Å; F18-F28 PolarHBondContact O-N 2.79Å; F18-F28 VanDerWaalsContact O-N 3.08Å; F18-W45 HydrophobicContact CE1-CZ3 4.41Å; F18-W45 HydrophobicContact CE2-CH2 4.45Å; F18-W45 AromaticContact CZ-CH2 3.9Å; F18-W45 HydrophobicContact CZ-CH2 3.9Å; F18-W45 AromaticContact CZ-CZ3 3.93Å; F18-W45 HydrophobicContact CZ-CZ3 3.93Å; F18-P59 HydrophobicContact CD1-CG 4.33Å; F18-P59 HydrophobicContact CD2-CG 3.75Å; F18-P59 HydrophobicContact CE1-CG 4.29Å; F18-P59 HydrophobicContact CE2-CG 3.74Å; F18-P59 HydrophobicContact CG-CG 4.08Å; F18-P59 HydrophobicContact CZ-CG 4.03Å; F18-Y62 HydrophobicContact CB-CD1 3.79Å; F18-Y62 HydrophobicContact CB-CE1 4.11Å; F18-Y62 HydrophobicContact CD2-CD1 4.16Å; F18-Y62 AromaticContact CD2-CE1 3.93Å; F18-Y62 HydrophobicContact CD2-CE1 3.93Å; F18-Y62 HydrophobicContact CG-CD1 4.35Å; F18-Y62 HydrophobicContact CG-CE1 4.48Å
19K90.4Very high88.3Confident169 Ų16970 Ų7074%0.73536%0.361SS*.  trans-97.5142.8176.9-65.5-177.4-179.2179.70108.5D21K19-D21 PolarHBondContact O-N 2.96Å
20K86.9Confident88.3Confident111 Ų11173.6 Ų73.648%0.48336%0.363SS..  trans-57.9123.8175.2-171.6169.8-171.2166.10110.4K22 N23 D25 P27K20-K22 WeakPolarHBondContact CE-O 3.09Å; K20-K22 VanDerWaalsContact CG-O 3.22Å; K20-K22 WeakPolarHBondContact CG-O 3.44Å; K20-N23 VanDerWaalsContact CE-CA 3.5Å; K20-N23 VanDerWaalsContact CE-O 3.31Å; K20-N23 WeakPolarHBondContact CE-O 3.38Å; K20-N23 PolarHBondContact NZ-O 3.1Å; K20-D25 HydrophobicContact CG-CB 4.21Å; K20-P27 HydrophobicContact CB-CB 4.27Å; K20-P27 HydrophobicContact CB-CG 4.36Å
21D80.7Confident88Confident138 Ų13877.5 Ų77.574%0.73838%0.383SS*.  trans-107.3-44.3173.2-171.829.3000110.2K19 D25K19-D21 PolarHBondContact O-N 2.96Å; D21-D25 WeakPolarHBondContact CB-OD2 3.25Å; D21-D25 PolarHBondContact N-OD2 3.35Å; D21-D25 VanDerWaalsContact N-OD2 3.07Å
22K86.1Confident88.2Confident137 Ų13777 Ų7760%0.59638%0.378SS*.SBendtrans-112161176.7-61.5176.9-174.5173.80111.9K20 E24 D25K20-K22 WeakPolarHBondContact CE-O 3.09Å; K20-K22 VanDerWaalsContact CG-O 3.22Å; K20-K22 WeakPolarHBondContact CG-O 3.44Å; K22-E24 PolarHBondContact O-N 3.46Å; K22-D25 PolarHBondContact N-OD2 2.89Å; K22-D25 WeakPolarHBondContact O-CB 3.43Å; K22-D25 PolarHBondContact O-N 3.49Å; K22-D25 VanDerWaalsContact O-N 3.15Å
23N84.5Confident88.3Confident152 Ų15279.9 Ų79.981%0.81340%0.396SS*.THydrogen-bonded Turntrans-59.6-29.1178.9-82.2-16.8000113.8K20K20-N23 VanDerWaalsContact CE-CA 3.5Å; K20-N23 VanDerWaalsContact CE-O 3.31Å; K20-N23 WeakPolarHBondContact CE-O 3.38Å; K20-N23 PolarHBondContact NZ-O 3.1Å
24E90.5Very high88.6Confident140 Ų14076.5 Ų76.565%0.65438%0.381SS*.THydrogen-bonded Turntrans-82.6-10.1-178.3-60176.1-170.600113.6K22 G56 L57K22-E24 PolarHBondContact O-N 3.46Å; E24-G56 CarbonylContact O-C 3.6Å; E24-G56 WeakPolarHBondContact O-CA 3.32Å; E24-L57 HydrophobicContact CB-CD1 4.09Å; E24-L57 PolarHBondContact O-N 3.5Å
25D93.7Very high89Confident9 Ų979.8 Ų79.85%0.04840%0.396CS..BIsolated β-bridgetrans-79.2140.9-176.6-64.7-15.2000111.9F18 K20 D21 K22 P27 L57F18-D25 HydrophobicContact CE1-CB 3.92Å; F18-D25 HydrophobicContact CZ-CB 4.28Å; K20-D25 HydrophobicContact CG-CB 4.21Å; D21-D25 WeakPolarHBondContact CB-OD2 3.25Å; D21-D25 PolarHBondContact N-OD2 3.35Å; D21-D25 VanDerWaalsContact N-OD2 3.07Å; K22-D25 PolarHBondContact N-OD2 2.89Å; K22-D25 WeakPolarHBondContact O-CB 3.43Å; K22-D25 PolarHBondContact O-N 3.49Å; K22-D25 VanDerWaalsContact O-N 3.15Å; D25-P27 WeakPolarHBondContact O-CD 3.29Å; D25-L57 WeakPolarHBondContact CA-O 3.33Å
26L95Very high89.9Confident5 Ų577.2 Ų77.23%0.02638%0.382CS..  trans-95.2107.5170.6-179.163.6000109.8F18 F28 L34 A48 N50 E54 L57 I58F18-L26 WeakPolarHBondContact CD1-O 3.41Å; L26-F28 VanDerWaalsContact O-CD1 3.27Å; L26-F28 WeakPolarHBondContact O-CD1 3.43Å; L26-L34 HydrophobicContact CD2-CD2 3.9Å; L26-A48 HydrophobicContact CD2-CB 4.49Å; L26-A48 WeakPolarHBondContact CD2-O 3.41Å; L26-N50 HydrophobicContact CD2-CB 4.43Å; L26-E54 HydrophobicContact CD1-CB 3.91Å; L26-L57 PolarHBondContact N-O 3.49Å; L26-I58 HydrophobicContact CB-CG2 3.91Å; L26-I58 HydrophobicContact CD2-CG2 4.1Å; L26-I58 HydrophobicContact CG-CG2 4.37Å
27P95Very high90.4Very high59 Ų5973.8 Ų73.838%0.38337%0.373SS..  trans-69.3146.4174.229-34000111.3F18 K20 D25F18-P27 WeakPolarHBondContact O-CA 3.18Å; K20-P27 HydrophobicContact CB-CB 4.27Å; K20-P27 HydrophobicContact CB-CG 4.36Å; D25-P27 WeakPolarHBondContact O-CD 3.29Å
28F94.6Very high90.5Very high5 Ų573.6 Ų73.62%0.02237%0.369CS..BIsolated β-bridgetrans-151.5154.4177.253.4-99.4000112.3A14 Y16 T17 F18 L26 E32 L34 I58 Y62 V63A14-F28 HydrophobicContact CB-CD2 3.41Å; A14-F28 VanDerWaalsContact CB-CD2 3.41Å; A14-F28 HydrophobicContact CB-CE2 3.67Å; A14-F28 HydrophobicContact CB-CG 4.43Å; Y16-F28 WeakPolarHBondContact O-CE2 3.29Å; T17-F28 CarbonylContact C-O 3.58Å; T17-F28 WeakPolarHBondContact CA-O 3.08Å; T17-F28 WeakPolarHBondContact CG2-O 3.37Å; F18-F28 HydrophobicContact CB-CD1 3.93Å; F18-F28 HydrophobicContact CB-CD2 3.88Å; F18-F28 HydrophobicContact CB-CE1 3.47Å; F18-F28 VanDerWaalsContact CB-CE1 3.47Å; F18-F28 HydrophobicContact CB-CE2 3.44Å; F18-F28 VanDerWaalsContact CB-CE2 3.44Å; F18-F28 HydrophobicContact CB-CG 4.13Å; F18-F28 HydrophobicContact CB-CZ 3.22Å; F18-F28 HydrophobicContact CD1-CD1 4.08Å; F18-F28 AromaticContact CD1-CE1 3.56Å; F18-F28 HydrophobicContact CD1-CE1 3.56Å; F18-F28 HydrophobicContact CD1-CZ 4.1Å; F18-F28 HydrophobicContact CG-CD1 4.49Å; F18-F28 AromaticContact CG-CE1 3.84Å; F18-F28 HydrophobicContact CG-CE1 3.84Å; F18-F28 AromaticContact CG-CZ 3.89Å; F18-F28 HydrophobicContact CG-CZ 3.89Å; F18-F28 PolarHBondContact N-O 3.34Å; F18-F28 PolarHBondContact O-N 2.79Å; F18-F28 VanDerWaalsContact O-N 3.08Å; L26-F28 VanDerWaalsContact O-CD1 3.27Å; L26-F28 WeakPolarHBondContact O-CD1 3.43Å; F28-E32 VanDerWaalsContact CA-OE2 3.28Å; F28-E32 WeakPolarHBondContact CA-OE2 3.36Å; F28-E32 HydrophobicContact CB-CB 4.39Å; F28-E32 WeakPolarHBondContact CB-OE2 3.17Å; F28-L34 HydrophobicContact CB-CD1 4.1Å; F28-L34 HydrophobicContact CB-CD2 4.22Å; F28-L34 HydrophobicContact CD1-CD1 3.67Å; F28-L34 HydrophobicContact CD2-CD1 4.22Å; F28-L34 HydrophobicContact CE1-CD1 4.08Å; F28-L34 HydrophobicContact CG-CD1 3.74Å; F28-L34 HydrophobicContact CZ-CD1 4.5Å; F28-I58 HydrophobicContact CD1-CG2 3.89Å; F28-I58 HydrophobicContact CE1-CB 3.81Å; F28-I58 HydrophobicContact CE1-CG2 3.62Å; F28-Y62 HydrophobicContact CE2-CD1 4.27Å; F28-Y62 HydrophobicContact CZ-CD1 4.26Å; F28-Y62 HydrophobicContact CZ-CG 4.31Å; F28-V63 HydrophobicContact CE2-CG1 4.38Å; F28-V63 HydrophobicContact CZ-CG1 4.14Å
29S92.1Very high90.4Very high69 Ų6975.1 Ų75.148%0.48338%0.377SS..  trans-90.8151.8177.3-65.60000112.3A14 N31 E32A14-S29 VanDerWaalsContact CB-O 3.29Å; A14-S29 WeakPolarHBondContact CB-O 3.36Å; S29-N31 PolarHBondContact O-N 2.96Å; S29-E32 PolarHBondContact N-OE2 2.98Å; S29-E32 WeakPolarHBondContact O-CB 3.47Å; S29-E32 PolarHBondContact O-N 3.3Å
30K85.5Confident90Very high125 Ų12568.1 Ų68.154%0.54335%0.353SS..THydrogen-bonded Turntrans-51.2134.7169.2-178.8174.4-176.9177.60110.6N15 T17 E32N15-K30 WeakPolarHBondContact O-CD 3.47Å; N15-K30 WeakPolarHBondContact O-CE 3.48Å; N15-K30 WeakPolarHBondContact O-CG 3.46Å; T17-K30 PolarHBondContact OG1-N 2.69Å; K30-E32 VanDerWaalsContact C-N 3.27Å; K30-E32 PolarHBondContact O-N 2.94Å
31N81.5Confident89.6Confident91 Ų9173.4 Ų73.449%0.48738%0.376SS..THydrogen-bonded Turntrans72.7-0.3-173.8-54.3-55.1000116.6K13 A14 S29K13-N31 WeakPolarHBondContact CE-OD1 3.49Å; K13-N31 PolarHBondContact NZ-OD1 3.34Å; A14-N31 WeakPolarHBondContact O-CA 3.22Å; A14-N31 PolarHBondContact O-N 3.49Å; S29-N31 PolarHBondContact O-N 2.96Å
32E91.4Very high89.7Confident44 Ų4470.1 Ų70.121%0.20636%0.358CS..  trans-63.2146.7172.9-169.3168.3168.600111K13 A14 F28 S29 K30K13-E32 CarbonylContact C-O 3.55Å; K13-E32 WeakPolarHBondContact CA-O 3.44Å; A14-E32 HydrophobicContact CB-CB 4.49Å; A14-E32 PolarHBondContact N-O 2.95Å; F28-E32 VanDerWaalsContact CA-OE2 3.28Å; F28-E32 WeakPolarHBondContact CA-OE2 3.36Å; F28-E32 HydrophobicContact CB-CB 4.39Å; F28-E32 WeakPolarHBondContact CB-OE2 3.17Å; S29-E32 PolarHBondContact N-OE2 2.98Å; S29-E32 WeakPolarHBondContact O-CB 3.47Å; S29-E32 PolarHBondContact O-N 3.3Å; K30-E32 VanDerWaalsContact C-N 3.27Å; K30-E32 PolarHBondContact O-N 2.94Å
33T91.3Very high89.3Confident61 Ų6167.2 Ų67.237%0.37435%0.353SS..EExtended strand (participates in β ladder)trans-102.2130.1178.3-58.30000109.3V11 V12V11-T33 HydrophobicContact CG1-CG2 3.3Å; V12-T33 CarbonylContact O-C 3.56Å; V12-T33 WeakPolarHBondContact O-CA 3.41Å
34L94Very high89.2Confident2 Ų264.6 Ų64.61%0.0134%0.339CS..EExtended strand (participates in β ladder)trans-126.7154.6-177.8-57.6154.6000108.6V11 V12 L26 F28 A48 K49 N50 I58 V63V11-L34 CarbonylContact C-O 3.54Å; V11-L34 WeakPolarHBondContact CA-O 3.38Å; V12-L34 HydrophobicContact CG2-CB 3.75Å; V12-L34 HydrophobicContact CG2-CD1 4.43Å; V12-L34 PolarHBondContact N-O 3.02Å; V12-L34 PolarHBondContact O-N 3.24Å; L26-L34 HydrophobicContact CD2-CD2 3.9Å; F28-L34 HydrophobicContact CB-CD1 4.1Å; F28-L34 HydrophobicContact CB-CD2 4.22Å; F28-L34 HydrophobicContact CD1-CD1 3.67Å; F28-L34 HydrophobicContact CD2-CD1 4.22Å; F28-L34 HydrophobicContact CE1-CD1 4.08Å; F28-L34 HydrophobicContact CG-CD1 3.74Å; F28-L34 HydrophobicContact CZ-CD1 4.5Å; L34-A48 HydrophobicContact CB-CB 4.47Å; L34-K49 CarbonylContact C-O 3.58Å; L34-K49 WeakPolarHBondContact CA-O 3.18Å; L34-N50 HydrophobicContact CD2-CB 3.78Å; L34-I58 HydrophobicContact CD1-CD1 4.22Å; L34-I58 HydrophobicContact CD1-CG2 4.43Å; L34-V63 HydrophobicContact CD1-CG1 4.03Å
35E95Very high89.1Confident68 Ų6861.4 Ų61.432%0.31832%0.321SS..EExtended strand (participates in β ladder)trans-118123.9173.9-175.9-171.813500109.5I37 A48 K49E35-I37 PolarHBondContact O-N 2.81Å; E35-A48 CarbonylContact O-C 3.58Å; E35-A48 WeakPolarHBondContact O-CA 3.28Å; E35-A48 WeakPolarHBondContact O-CB 3.35Å; E35-K49 HydrophobicContact CB-CG 3.96Å; E35-K49 PolarHBondContact N-O 3.15Å; E35-K49 PolarHBondContact O-N 3.23Å; E35-K49 VanDerWaalsContact OE1-CE 3.25Å; E35-K49 WeakPolarHBondContact OE1-CE 3.22Å; E35-K49 IonicContact OE1-NZ 2.96Å; E35-K49 PolarHBondContact OE1-NZ 3.38Å; E35-K49 WeakPolarHBondContact OE2-CE 3.34Å; E35-K49 IonicContact OE2-NZ 3.65Å; E35-K49 PolarHBondContact OE2-NZ 3.4Å
36I94.1Very high89.1Confident0 Ų061 Ų610%032%0.319CS..EExtended strand (participates in β ladder)trans-72.1119.3178.2-67.4177.7000108.9F6 G9 D10 V12 I39 A46 L60F6-I36 HydrophobicContact CB-CD1 3.81Å; F6-I36 HydrophobicContact CD1-CD1 3.63Å; F6-I36 HydrophobicContact CE1-CD1 4.44Å; F6-I36 HydrophobicContact CG-CD1 3.93Å; G9-I36 PolarHBondContact N-O 2.89Å; D10-I36 HydrophobicContact CB-CB 4.42Å; D10-I36 HydrophobicContact CB-CD1 4.25Å; D10-I36 PolarHBondContact O-N 3.17Å; V12-I36 HydrophobicContact CG1-CD1 3.64Å; V12-I36 HydrophobicContact CG1-CG1 4.02Å; V12-I36 HydrophobicContact CG2-CG1 4.5Å; I36-I39 HydrophobicContact CG2-CD1 3.97Å; I36-A46 HydrophobicContact CD1-CB 4.39Å; I36-A46 HydrophobicContact CG1-CB 4.33Å; I36-A46 HydrophobicContact CG2-CB 4.06Å; I36-L60 HydrophobicContact CD1-CD2 3.72Å
37I94.7Very high89.1Confident66 Ų6663.5 Ų63.534%0.33833%0.331SS..EExtended strand (participates in β ladder)trans-80-50.8175.1-56.4174.1000109.4A8 E35 H47 K49 T55A8-I37 WeakPolarHBondContact CB-O 3.32Å; E35-I37 PolarHBondContact O-N 2.81Å; I37-H47 WeakPolarHBondContact CA-O 3.48Å; I37-H47 WeakPolarHBondContact CB-O 2.86Å; I37-H47 PolarHBondContact N-O 3.38Å; I37-K49 HydrophobicContact CD1-CB 4.16Å; I37-K49 HydrophobicContact CG1-CB 4.46Å; I37-K49 HydrophobicContact CG1-CG 4.47Å; I37-T55 HydrophobicContact CD1-CG2 3.73Å
38N92.5Very high89.1Confident74 Ų7460.7 Ų60.740%0.39631%0.312SS..EExtended strand (participates in β ladder)trans-158.7153.5178.362.2-71.6000110.8H47N38-H47 PolarHBondContact N-O 3.09Å; N38-H47 PolarHBondContact O-N 2.93Å; N38-H47 VanDerWaalsContact OD1-CB 3.3Å; N38-H47 WeakPolarHBondContact OD1-CB 3.15Å
39I89.4Confident89.2Confident53 Ų5364 Ų6427%0.27233%0.327SS..EExtended strand (participates in β ladder)trans-74.6138.9172.5-53.7-57.4000108.7F6 I36 A46 L60F6-I39 HydrophobicContact CB-CD1 3.77Å; I36-I39 HydrophobicContact CG2-CD1 3.97Å; I39-A46 HydrophobicContact CD1-CB 4.1Å; I39-L60 HydrophobicContact CD1-CD1 4.26Å
40G81Confident89.3Confident21 Ų2161.2 Ų61.222%0.21631%0.306CS..  trans-72.1173.3179.200000112.4D42 W45G40-D42 PolarHBondContact O-N 2.98Å; G40-W45 WeakPolarHBondContact CA-O 3.34Å; G40-W45 PolarHBondContact N-O 2.9Å
41K79.9Confident89.5Confident223 Ų22359.7 Ų59.797%0.9732%0.317SS*.SBendtrans-61.8-33.3171-69.7-176.7179.6178.60111.8
42D81.3Confident89.9Confident68 Ų6863.4 Ų63.436%0.36433%0.329SS..SBendtrans-86.6121.2168.7-176.9-20.8000108.8G40 N44 W45G40-D42 PolarHBondContact O-N 2.98Å; D42-N44 PolarHBondContact O-N 2.88Å; D42-N44 WeakPolarHBondContact OD1-CB 3.06Å; D42-N44 PolarHBondContact OD1-N 3.07Å; D42-N44 PolarHBondContact OD1-ND2 2.9Å; D42-W45 HydrophobicContact CB-CB 4.49Å; D42-W45 PolarHBondContact O-N 3.09Å; D42-W45 VanDerWaalsContact O-O 3.1Å
43P77.7Confident89.8Confident77 Ų7763.8 Ų63.850%0.535%0.345SS..THydrogen-bonded Turntrans-64.6-8.3-179.227.2-35.7000114.3C4 L60C4-P43 PolarHBondContact SG-O 2.72Å; C4-P43 VanDerWaalsContact SG-O 3.35Å; P43-L60 WeakPolarHBondContact O-CD1 3.46Å
44N82.6Confident89.9Confident97 Ų9766.1 Ų66.152%0.51935%0.352SS..THydrogen-bonded Turntrans-88.5-4.5172.2-59.3-64.2000113.3D42 L60D42-N44 PolarHBondContact O-N 2.88Å; D42-N44 WeakPolarHBondContact OD1-CB 3.06Å; D42-N44 PolarHBondContact OD1-N 3.07Å; D42-N44 PolarHBondContact OD1-ND2 2.9Å; N44-L60 PolarHBondContact O-N 3.06Å
45W89.6Confident90Very high73 Ų7369.8 Ų69.828%0.27738%0.375SS..EExtended strand (participates in β ladder)trans-126.6145.8-176.7-67.182.5000111.3F18 G40 D42 L57 I58 P59F18-W45 HydrophobicContact CE1-CZ3 4.41Å; F18-W45 HydrophobicContact CE2-CH2 4.45Å; F18-W45 AromaticContact CZ-CH2 3.9Å; F18-W45 HydrophobicContact CZ-CH2 3.9Å; F18-W45 AromaticContact CZ-CZ3 3.93Å; F18-W45 HydrophobicContact CZ-CZ3 3.93Å; G40-W45 WeakPolarHBondContact CA-O 3.34Å; G40-W45 PolarHBondContact N-O 2.9Å; D42-W45 HydrophobicContact CB-CB 4.49Å; D42-W45 PolarHBondContact O-N 3.09Å; D42-W45 VanDerWaalsContact O-O 3.1Å; W45-L57 HydrophobicContact CE3-CB 3.91Å; W45-L57 HydrophobicContact CZ3-CB 4.27Å; W45-I58 WeakPolarHBondContact CA-O 3.34Å; W45-P59 HydrophobicContact CD2-CB 4.43Å; W45-P59 HydrophobicContact CE3-CB 4.24Å; W45-P59 HydrophobicContact CH2-CB 4.24Å; W45-P59 HydrophobicContact CZ2-CB 4.38Å; W45-P59 HydrophobicContact CZ3-CB 4.17Å; W45-P59 HydrophobicContact CZ3-CG 4.37Å
46A92.5Very high90Very high0 Ų066.7 Ų66.70%036%0.36CS..EExtended strand (participates in β ladder)trans-133.5148173.300000110.1I36 I39 L57 I58 L60I36-A46 HydrophobicContact CD1-CB 4.39Å; I36-A46 HydrophobicContact CG1-CB 4.33Å; I36-A46 HydrophobicContact CG2-CB 4.06Å; I39-A46 HydrophobicContact CD1-CB 4.1Å; A46-L57 CarbonylContact O-C 3.53Å; A46-L57 WeakPolarHBondContact O-CA 3.39Å; A46-I58 HydrophobicContact CB-CG1 4.21Å; A46-I58 PolarHBondContact N-O 3.48Å; A46-I58 WeakPolarHBondContact O-CG1 3.26Å; A46-I58 PolarHBondContact O-N 3.1Å; A46-L60 HydrophobicContact CB-CD1 4.24Å; A46-L60 HydrophobicContact CB-CD2 3.62Å; A46-L60 HydrophobicContact CB-CG 3.94Å
47H95.3Very high90Very high57 Ų5768.6 Ų68.626%0.26437%0.371SS..EExtended strand (participates in β ladder)trans-83.4124.3166.7-161-129.8000107.6I37 N38 G56 L57I37-H47 WeakPolarHBondContact CA-O 3.48Å; I37-H47 WeakPolarHBondContact CB-O 2.86Å; I37-H47 PolarHBondContact N-O 3.38Å; N38-H47 PolarHBondContact N-O 3.09Å; N38-H47 PolarHBondContact O-N 2.93Å; N38-H47 VanDerWaalsContact OD1-CB 3.3Å; N38-H47 WeakPolarHBondContact OD1-CB 3.15Å; H47-G56 WeakPolarHBondContact CA-O 3.45Å; H47-G56 PolarHBondContact CD2-O 3.34Å; H47-L57 HydrophobicContact CB-CD2 4.49Å
48A96.2Very high90Very high0 Ų065.5 Ų65.50%036%0.355CS..EExtended strand (participates in β ladder)trans-131.7165.6-176.600000111.1L26 L34 E35 T55 G56 I58L26-A48 HydrophobicContact CD2-CB 4.49Å; L26-A48 WeakPolarHBondContact CD2-O 3.41Å; L34-A48 HydrophobicContact CB-CB 4.47Å; E35-A48 CarbonylContact O-C 3.58Å; E35-A48 WeakPolarHBondContact O-CA 3.28Å; E35-A48 WeakPolarHBondContact O-CB 3.35Å; A48-T55 VanDerWaalsContact O-CA 3.23Å; A48-T55 WeakPolarHBondContact O-CA 3.44Å; A48-G56 PolarHBondContact N-O 3.27Å; A48-G56 PolarHBondContact O-N 2.9Å; A48-G56 VanDerWaalsContact O-N 3.08Å; A48-I58 HydrophobicContact CB-CD1 3.46Å; A48-I58 VanDerWaalsContact CB-CD1 3.46Å; A48-I58 HydrophobicContact CB-CG1 3.7Å; A48-I58 HydrophobicContact CB-CG2 4.02Å
49K96.1Very high90Very high74 Ų7462.2 Ų62.232%0.32234%0.338SS..EExtended strand (participates in β ladder)trans-119.5145.4169.466.8-174.8-174.9-160.90111.3L34 E35 I37 E54 T55L34-K49 CarbonylContact C-O 3.58Å; L34-K49 WeakPolarHBondContact CA-O 3.18Å; E35-K49 HydrophobicContact CB-CG 3.96Å; E35-K49 PolarHBondContact N-O 3.15Å; E35-K49 PolarHBondContact O-N 3.23Å; E35-K49 VanDerWaalsContact OE1-CE 3.25Å; E35-K49 WeakPolarHBondContact OE1-CE 3.22Å; E35-K49 IonicContact OE1-NZ 2.96Å; E35-K49 PolarHBondContact OE1-NZ 3.38Å; E35-K49 WeakPolarHBondContact OE2-CE 3.34Å; E35-K49 IonicContact OE2-NZ 3.65Å; E35-K49 PolarHBondContact OE2-NZ 3.4Å; I37-K49 HydrophobicContact CD1-CB 4.16Å; I37-K49 HydrophobicContact CG1-CB 4.46Å; I37-K49 HydrophobicContact CG1-CG 4.47Å; K49-E54 CarbonylContact C-O 3.43Å; K49-E54 VanDerWaalsContact CA-O 3.23Å; K49-E54 WeakPolarHBondContact CA-O 3.14Å; K49-T55 HydrophobicContact CB-CG2 3.97Å
50N93.6Very high90Very high11 Ų1160.1 Ų60.16%0.05933%0.327CS..  trans-92.5-177.2171.671.810.1000112.2L26 L34 F52 G53 E54L26-N50 HydrophobicContact CD2-CB 4.43Å; L34-N50 HydrophobicContact CD2-CB 3.78Å; N50-F52 PolarHBondContact O-N 2.64Å; N50-F52 WeakPolarHBondContact OD1-CA 3.12Å; N50-F52 WeakPolarHBondContact OD1-CB 3.21Å; N50-F52 PolarHBondContact OD1-N 3.47Å; N50-G53 PolarHBondContact O-N 3.32Å; N50-G53 VanDerWaalsContact O-N 3.14Å; N50-G53 PolarHBondContact OD1-N 2.85Å; N50-E54 PolarHBondContact N-O 3.28Å; N50-E54 PolarHBondContact ND2-OE2 2.9Å; N50-E54 WeakPolarHBondContact OD1-CB 3.42Å; N50-E54 PolarHBondContact OD1-N 3.48Å
51A90.1Very high90.2Very high94 Ų9464.6 Ų64.678%0.77735%0.346SS*.THydrogen-bonded Turntrans-65.5-18.3179.400000114.2
52F90.2Very high90.7Very high168 Ų16857.7 Ų57.774%0.73731%0.314SS*.THydrogen-bonded Turntrans-90.7-0.6177.1-56.2-74.9000112.8N50 E54N50-F52 PolarHBondContact O-N 2.64Å; N50-F52 WeakPolarHBondContact OD1-CA 3.12Å; N50-F52 WeakPolarHBondContact OD1-CB 3.21Å; N50-F52 PolarHBondContact OD1-N 3.47Å; F52-E54 VanDerWaalsContact C-N 3.27Å; F52-E54 HydrophobicContact CB-CG 4.25Å
53G89.6Confident91Very high52 Ų5254.8 Ų54.854%0.53630%0.299SS..  trans79.94.7-176.200000114.2N50N50-G53 PolarHBondContact O-N 3.32Å; N50-G53 VanDerWaalsContact O-N 3.14Å; N50-G53 PolarHBondContact OD1-N 2.85Å
54E93.1Very high90.9Very high111 Ų11155 Ų5552%0.51929%0.293SS..  trans-71.1135.6174.6-56.9173.5133.600109.4L26 K49 N50 F52L26-E54 HydrophobicContact CD1-CB 3.91Å; K49-E54 CarbonylContact C-O 3.43Å; K49-E54 VanDerWaalsContact CA-O 3.23Å; K49-E54 WeakPolarHBondContact CA-O 3.14Å; N50-E54 PolarHBondContact N-O 3.28Å; N50-E54 PolarHBondContact ND2-OE2 2.9Å; N50-E54 WeakPolarHBondContact OD1-CB 3.42Å; N50-E54 PolarHBondContact OD1-N 3.48Å; F52-E54 VanDerWaalsContact C-N 3.27Å; F52-E54 HydrophobicContact CB-CG 4.25Å
55T95.4Very high90.7Very high79 Ų7952 Ų5249%0.48528%0.275SS..EExtended strand (participates in β ladder)trans-117150.6-177.3650000111.8I37 A48 K49I37-T55 HydrophobicContact CD1-CG2 3.73Å; A48-T55 VanDerWaalsContact O-CA 3.23Å; A48-T55 WeakPolarHBondContact O-CA 3.44Å; K49-T55 HydrophobicContact CB-CG2 3.97Å
56G95.2Very high89.6Confident2 Ų254 Ų542%0.02129%0.285CS..EExtended strand (participates in β ladder)trans173.2-176.7171.100000111.8E24 H47 A48E24-G56 CarbonylContact O-C 3.6Å; E24-G56 WeakPolarHBondContact O-CA 3.32Å; H47-G56 WeakPolarHBondContact CA-O 3.45Å; H47-G56 PolarHBondContact CD2-O 3.34Å; A48-G56 PolarHBondContact N-O 3.27Å; A48-G56 PolarHBondContact O-N 2.9Å; A48-G56 VanDerWaalsContact O-N 3.08Å
57L95.1Very high87.8Confident41 Ų4156.2 Ų56.222%0.21530%0.304CS..EExtended strand (participates in β ladder)trans-75.7133.4180-68.5174.4000110.8E24 D25 L26 W45 A46 H47E24-L57 HydrophobicContact CB-CD1 4.09Å; E24-L57 PolarHBondContact O-N 3.5Å; D25-L57 WeakPolarHBondContact CA-O 3.33Å; L26-L57 PolarHBondContact N-O 3.49Å; W45-L57 HydrophobicContact CE3-CB 3.91Å; W45-L57 HydrophobicContact CZ3-CB 4.27Å; A46-L57 CarbonylContact O-C 3.53Å; A46-L57 WeakPolarHBondContact O-CA 3.39Å; H47-L57 HydrophobicContact CB-CD2 4.49Å
58I94.5Very high85.6Confident0 Ų055.9 Ų55.90%030%0.304CS..EExtended strand (participates in β ladder)trans-122.5141.3173.164163.6000109.8V12 L26 F28 L34 W45 A46 A48 V63V12-I58 HydrophobicContact CG2-CD1 4.28Å; L26-I58 HydrophobicContact CB-CG2 3.91Å; L26-I58 HydrophobicContact CD2-CG2 4.1Å; L26-I58 HydrophobicContact CG-CG2 4.37Å; F28-I58 HydrophobicContact CD1-CG2 3.89Å; F28-I58 HydrophobicContact CE1-CB 3.81Å; F28-I58 HydrophobicContact CE1-CG2 3.62Å; L34-I58 HydrophobicContact CD1-CD1 4.22Å; L34-I58 HydrophobicContact CD1-CG2 4.43Å; W45-I58 WeakPolarHBondContact CA-O 3.34Å; A46-I58 HydrophobicContact CB-CG1 4.21Å; A46-I58 PolarHBondContact N-O 3.48Å; A46-I58 WeakPolarHBondContact O-CG1 3.26Å; A46-I58 PolarHBondContact O-N 3.1Å; A48-I58 HydrophobicContact CB-CD1 3.46Å; A48-I58 VanDerWaalsContact CB-CD1 3.46Å; A48-I58 HydrophobicContact CB-CG1 3.7Å; A48-I58 HydrophobicContact CB-CG2 4.02Å; I58-V63 HydrophobicContact CD1-CG1 4.14Å; I58-V63 HydrophobicContact CD1-CG2 4.32Å
59P91.4Very high83.4Confident6 Ų658.7 Ų58.74%0.03932%0.318CS..EExtended strand (participates in β ladder)trans-78.4123.2172.730.6-32.7000109.8F18 W45 N61 Y62F18-P59 HydrophobicContact CD1-CG 4.33Å; F18-P59 HydrophobicContact CD2-CG 3.75Å; F18-P59 HydrophobicContact CE1-CG 4.29Å; F18-P59 HydrophobicContact CE2-CG 3.74Å; F18-P59 HydrophobicContact CG-CG 4.08Å; F18-P59 HydrophobicContact CZ-CG 4.03Å; W45-P59 HydrophobicContact CD2-CB 4.43Å; W45-P59 HydrophobicContact CE3-CB 4.24Å; W45-P59 HydrophobicContact CH2-CB 4.24Å; W45-P59 HydrophobicContact CZ2-CB 4.38Å; W45-P59 HydrophobicContact CZ3-CB 4.17Å; W45-P59 HydrophobicContact CZ3-CG 4.37Å; P59-N61 WeakPolarHBondContact CB-OD1 3.38Å; P59-N61 PolarHBondContact O-N 2.81Å; P59-Y62 HydrophobicContact CB-CD2 3.99Å; P59-Y62 HydrophobicContact CG-CD1 4.41Å; P59-Y62 HydrophobicContact CG-CD2 3.57Å; P59-Y62 HydrophobicContact CG-CE2 4.14Å; P59-Y62 HydrophobicContact CG-CG 3.73Å; P59-Y62 WeakPolarHBondContact O-CB 3.48Å; P59-Y62 PolarHBondContact O-N 3.16Å
60L89.5Confident81.2Confident9 Ų957.3 Ų57.35%0.04731%0.314CS..G310 helixtrans-64.9-24.7-174.8-75.6172.9000113F6 I36 I39 P43 N44 A46 Y62 V63F6-L60 HydrophobicContact CB-CD2 4.18Å; F6-L60 HydrophobicContact CD1-CD2 4.36Å; F6-L60 HydrophobicContact CD2-CB 4.31Å; F6-L60 HydrophobicContact CD2-CD1 4.12Å; F6-L60 HydrophobicContact CD2-CD2 3.69Å; F6-L60 HydrophobicContact CD2-CG 4.27Å; F6-L60 HydrophobicContact CE2-CB 4.23Å; F6-L60 HydrophobicContact CE2-CD2 4.08Å; F6-L60 HydrophobicContact CG-CD2 3.83Å; I36-L60 HydrophobicContact CD1-CD2 3.72Å; I39-L60 HydrophobicContact CD1-CD1 4.26Å; P43-L60 WeakPolarHBondContact O-CD1 3.46Å; N44-L60 PolarHBondContact O-N 3.06Å; A46-L60 HydrophobicContact CB-CD1 4.24Å; A46-L60 HydrophobicContact CB-CD2 3.62Å; A46-L60 HydrophobicContact CB-CG 3.94Å; L60-Y62 PolarHBondContact O-N 2.82Å; L60-V63 HydrophobicContact CD2-CG2 4.26Å; L60-V63 WeakPolarHBondContact O-CG2 3.47Å; L60-V63 PolarHBondContact O-N 3.32Å
61N85.3Confident79.3Confident115 Ų11560.1 Ų60.162%0.61533%0.327SS*.G310 helixtrans-73.3-7.9173.764.5-26.8000114P59P59-N61 WeakPolarHBondContact CB-OD1 3.38Å; P59-N61 PolarHBondContact O-N 2.81Å
62Y90.5Very high77.8Confident77 Ų7760.4 Ų60.430%0.30232%0.315SS..G310 helixtrans-93-7.8175.2-82.9-124.4000113.3N15 Y16 F18 F28 P59 L60N15-Y62 PolarHBondContact N-O 3.26Å; Y16-Y62 HydrophobicContact CD2-CD1 4.4Å; Y16-Y62 HydrophobicContact CD2-CG 4.41Å; F18-Y62 HydrophobicContact CB-CD1 3.79Å; F18-Y62 HydrophobicContact CB-CE1 4.11Å; F18-Y62 HydrophobicContact CD2-CD1 4.16Å; F18-Y62 AromaticContact CD2-CE1 3.93Å; F18-Y62 HydrophobicContact CD2-CE1 3.93Å; F18-Y62 HydrophobicContact CG-CD1 4.35Å; F18-Y62 HydrophobicContact CG-CE1 4.48Å; F28-Y62 HydrophobicContact CE2-CD1 4.27Å; F28-Y62 HydrophobicContact CZ-CD1 4.26Å; F28-Y62 HydrophobicContact CZ-CG 4.31Å; P59-Y62 HydrophobicContact CB-CD2 3.99Å; P59-Y62 HydrophobicContact CG-CD1 4.41Å; P59-Y62 HydrophobicContact CG-CD2 3.57Å; P59-Y62 HydrophobicContact CG-CE2 4.14Å; P59-Y62 HydrophobicContact CG-CG 3.73Å; P59-Y62 WeakPolarHBondContact O-CB 3.48Å; P59-Y62 PolarHBondContact O-N 3.16Å; L60-Y62 PolarHBondContact O-N 2.82Å
63V87.1Confident76.5Confident8 Ų852.6 Ų52.65%0.04828%0.281CS..EExtended strand (participates in β ladder)trans-126.7156.4-171.4-59.50000111.4F6 V12 K13 F28 L34 I58 L60F6-V63 HydrophobicContact CZ-CG2 4.33Å; V12-V63 HydrophobicContact CB-CB 3.9Å; V12-V63 HydrophobicContact CB-CG2 4.08Å; V12-V63 HydrophobicContact CG1-CG2 4.32Å; V12-V63 HydrophobicContact CG2-CB 3.72Å; V12-V63 HydrophobicContact CG2-CG1 3.94Å; V12-V63 HydrophobicContact CG2-CG2 3.92Å; K13-V63 WeakPolarHBondContact O-CA 3.42Å; F28-V63 HydrophobicContact CE2-CG1 4.38Å; F28-V63 HydrophobicContact CZ-CG1 4.14Å; L34-V63 HydrophobicContact CD1-CG1 4.03Å; I58-V63 HydrophobicContact CD1-CG1 4.14Å; I58-V63 HydrophobicContact CD1-CG2 4.32Å; L60-V63 HydrophobicContact CD2-CG2 4.26Å; L60-V63 WeakPolarHBondContact O-CG2 3.47Å; L60-V63 PolarHBondContact O-N 3.32Å
64Q76.7Confident75.3Confident80 Ų8057.5 Ų57.537%0.37429%0.287SS..EExtended strand (participates in β ladder)trans-128.3138.3172-179.4174.714.300108.6V12 K13 K66 D68V12-Q64 CarbonylContact C-O 3.53Å; V12-Q64 WeakPolarHBondContact CA-O 3.22Å; V12-Q64 WeakPolarHBondContact CB-O 3.32Å; K13-Q64 PolarHBondContact N-O 3.23Å; K13-Q64 PolarHBondContact O-N 3.32Å; Q64-K66 PolarHBondContact O-N 2.87Å; Q64-D68 HydrophobicContact CG-CB 4.25Å; Q64-D68 PolarHBondContact NE2-O 3.37Å
65R77Confident74.2Confident35 Ų3557.8 Ų57.813%0.13229%0.293CS..EExtended strand (participates in β ladder)trans-58.5136.2177.1-137.8-169.7-50.6-131.72.4110.1G5 F6 D10 V12 A67 D68 I69G5-R65 PolarHBondContact O-NH1 2.9Å; G5-R65 PolarHBondContact O-NH2 2.97Å; F6-R65 HydrophobicContact CD1-CG 4.38Å; F6-R65 HydrophobicContact CE1-CB 4.08Å; F6-R65 HydrophobicContact CE1-CG 4.34Å; D10-R65 HydrophobicContact CB-CG 3.94Å; D10-R65 IonicContact OD1-NH1 3.42Å; D10-R65 WeakPolarHBondContact OD2-CD 3.22Å; D10-R65 IonicContact OD2-CZ 3.82Å; D10-R65 IonicContact OD2-NE 3.6Å; D10-R65 IonicContact OD2-NH1 3.71Å; D10-R65 PolarHBondContact OD2-NH1 3Å; V12-R65 HydrophobicContact CG1-CG 4.45Å; R65-A67 PolarHBondContact O-N 2.86Å; R65-D68 HydrophobicContact CB-CB 3.84Å; R65-D68 VanDerWaalsContact CB-CG 3.49Å; R65-D68 WeakPolarHBondContact CB-OD2 3.27Å; R65-D68 IonicContact CZ-OD2 2.78Å; R65-D68 IonicContact NE-OD1 2.69Å; R65-D68 IonicContact NE-OD2 3.65Å; R65-D68 PolarHBondContact NE-OD2 2.87Å; R65-D68 IonicContact NH2-OD2 3.3Å; R65-D68 CarbonylContact O-C 3.53Å; R65-D68 WeakPolarHBondContact O-CA 3.12Å; R65-D68 WeakPolarHBondContact O-CB 3.21Å; R65-D68 PolarHBondContact O-N 3.08Å; R65-I69 PolarHBondContact O-N 2.79Å; R65-I69 VanDerWaalsContact O-N 3.16Å
66K68Low73.6Confident116 Ų11656 Ų5650%0.50428%0.279SS..G310 helixtrans-62.1-33.4177.7-166.7177.5178.8177.80111.3V11 Q64 D68 I69V11-K66 HydrophobicContact CB-CB 4.13Å; V11-K66 HydrophobicContact CB-CD 4.38Å; V11-K66 HydrophobicContact CG1-CB 3.99Å; V11-K66 HydrophobicContact CG1-CD 3.66Å; V11-K66 HydrophobicContact CG1-CG 4.47Å; V11-K66 VanDerWaalsContact O-CB 3.27Å; V11-K66 WeakPolarHBondContact O-CB 3.3Å; V11-K66 PolarHBondContact O-N 3.3Å; Q64-K66 PolarHBondContact O-N 2.87Å; K66-D68 VanDerWaalsContact C-N 3.31Å; K66-I69 HydrophobicContact CB-CD1 4.26Å; K66-I69 HydrophobicContact CG-CD1 3.78Å; K66-I69 WeakPolarHBondContact O-CB 3.26Å; K66-I69 VanDerWaalsContact O-CG1 3.32Å; K66-I69 WeakPolarHBondContact O-CG1 3.28Å; K66-I69 PolarHBondContact O-N 3.45Å
67A54.1Low73Confident46 Ų4659.1 Ų59.138%0.3830%0.299SS..G310 helixtrans-71.9-23.7171.700000113.2R65R65-A67 PolarHBondContact O-N 2.86Å
68D49.3Very low72.7Confident50 Ų5057.8 Ų57.827%0.26729%0.292SS..G310 helixtrans-84.90.6172.5-59.8-25.1000111.7Q64 R65 K66 L70Q64-D68 HydrophobicContact CG-CB 4.25Å; Q64-D68 PolarHBondContact NE2-O 3.37Å; R65-D68 HydrophobicContact CB-CB 3.84Å; R65-D68 VanDerWaalsContact CB-CG 3.49Å; R65-D68 WeakPolarHBondContact CB-OD2 3.27Å; R65-D68 IonicContact CZ-OD2 2.78Å; R65-D68 IonicContact NE-OD1 2.69Å; R65-D68 IonicContact NE-OD2 3.65Å; R65-D68 PolarHBondContact NE-OD2 2.87Å; R65-D68 IonicContact NH2-OD2 3.3Å; R65-D68 CarbonylContact O-C 3.53Å; R65-D68 WeakPolarHBondContact O-CA 3.12Å; R65-D68 WeakPolarHBondContact O-CB 3.21Å; R65-D68 PolarHBondContact O-N 3.08Å; K66-D68 VanDerWaalsContact C-N 3.31Å; D68-L70 PolarHBondContact O-N 3.06Å
69I49.9Very low72.5Confident59 Ų5958.1 Ų58.130%0.30329%0.293SS..SBendtrans-69.582.9162.7-55.8172.2000105.8K13 R65 K66 E71K13-I69 HydrophobicContact CB-CD1 4.36Å; K13-I69 HydrophobicContact CD-CD1 4.09Å; R65-I69 PolarHBondContact O-N 2.79Å; R65-I69 VanDerWaalsContact O-N 3.16Å; K66-I69 HydrophobicContact CB-CD1 4.26Å; K66-I69 HydrophobicContact CG-CD1 3.78Å; K66-I69 WeakPolarHBondContact O-CB 3.26Å; K66-I69 VanDerWaalsContact O-CG1 3.32Å; K66-I69 WeakPolarHBondContact O-CG1 3.28Å; K66-I69 PolarHBondContact O-N 3.45Å; I69-E71 PolarHBondContact O-N 3.42Å
70L50.8Low72.4Confident45 Ų4558.4 Ų58.424%0.23629%0.294CS..  trans-30.6104.2157.2-121.768.4000107.8D68 N72 L73D68-L70 PolarHBondContact O-N 3.06Å; L70-N72 WeakPolarHBondContact O-CA 3.45Å; L70-N72 PolarHBondContact O-N 3.25Å; L70-L73 HydrophobicContact CB-CD1 4.24Å; L70-L73 HydrophobicContact CB-CG 3.92Å; L70-L73 HydrophobicContact CD2-CB 4.4Å; L70-L73 HydrophobicContact CD2-CD1 3.18Å; L70-L73 HydrophobicContact CD2-CG 3.78Å; L70-L73 HydrophobicContact CG-CD1 3.51Å; L70-L73 HydrophobicContact CG-CG 3.74Å; L70-L73 PolarHBondContact O-N 3.03Å
71E52.5Low72.2Confident70 Ų7058.3 Ų58.333%0.32730%0.295SS..THydrogen-bonded Turntrans-31.597.8-176.9-69.4174.4140.300110.9I69 L73 S187I69-E71 PolarHBondContact O-N 3.42Å; E71-L73 WeakPolarHBondContact O-CA 3.05Å; E71-L73 WeakPolarHBondContact O-CD2 3.39Å; E71-L73 PolarHBondContact O-N 3.05Å; E71-S187 WeakPolarHBondContact OE1-CB 3.41Å; E71-S187 WeakPolarHBondContact OE2-CA 3.35Å; E71-S187 WeakPolarHBondContact OE2-CB 3.3Å
72N57.8Low72.2Confident99 Ų9963 Ų6353%0.52930%0.304SS..THydrogen-bonded Turntrans-3.766.7-160.5-69.6-17.1000114.5L70 K74 D75L70-N72 WeakPolarHBondContact O-CA 3.45Å; L70-N72 PolarHBondContact O-N 3.25Å; N72-K74 PolarHBondContact O-N 3.05Å; N72-D75 HydrophobicContact CB-CB 3.95Å; N72-D75 WeakPolarHBondContact CB-OD2 3.39Å; N72-D75 VanDerWaalsContact CG-OD2 3.3Å; N72-D75 PolarHBondContact ND2-OD2 3.03Å; N72-D75 WeakPolarHBondContact O-CA 3.44Å; N72-D75 VanDerWaalsContact O-CB 3.3Å; N72-D75 WeakPolarHBondContact O-CB 3.35Å; N72-D75 PolarHBondContact O-N 3.13Å
73L64.7Low71.9Confident4 Ų460.5 Ų60.52%0.02130%0.295CS..G310 helixtrans-61.5-28-167.3-76.5-164000109.7L70 E71 D75 H76 Y79 L112 L188L70-L73 HydrophobicContact CB-CD1 4.24Å; L70-L73 HydrophobicContact CB-CG 3.92Å; L70-L73 HydrophobicContact CD2-CB 4.4Å; L70-L73 HydrophobicContact CD2-CD1 3.18Å; L70-L73 HydrophobicContact CD2-CG 3.78Å; L70-L73 HydrophobicContact CG-CD1 3.51Å; L70-L73 HydrophobicContact CG-CG 3.74Å; L70-L73 PolarHBondContact O-N 3.03Å; E71-L73 WeakPolarHBondContact O-CA 3.05Å; E71-L73 WeakPolarHBondContact O-CD2 3.39Å; E71-L73 PolarHBondContact O-N 3.05Å; L73-D75 PolarHBondContact O-N 3.27Å; L73-H76 PolarHBondContact O-N 2.81Å; L73-H76 VanDerWaalsContact O-N 3.13Å; L73-Y79 VanDerWaalsContact C-CD1 3.42Å; L73-Y79 HydrophobicContact CB-CD1 3.6Å; L73-Y79 HydrophobicContact CB-CD2 4.26Å; L73-Y79 HydrophobicContact CB-CE1 3.61Å; L73-Y79 HydrophobicContact CB-CE2 4.3Å; L73-Y79 HydrophobicContact CB-CG 3.9Å; L73-Y79 HydrophobicContact CD1-CD2 4.02Å; L73-Y79 HydrophobicContact CD1-CE1 4.34Å; L73-Y79 HydrophobicContact CD1-CE2 3.67Å; L73-Y79 HydrophobicContact CD1-CG 4.49Å; L73-Y79 VanDerWaalsContact O-CB 3.27Å; L73-Y79 WeakPolarHBondContact O-CB 3.47Å; L73-Y79 WeakPolarHBondContact O-CD1 3.37Å; L73-L112 HydrophobicContact CD1-CD1 4.24Å; L73-L188 HydrophobicContact CD1-CD1 3.58Å; L73-L188 HydrophobicContact CD2-CB 4.21Å; L73-L188 HydrophobicContact CD2-CD1 3.41Å; L73-L188 VanDerWaalsContact CD2-CD1 3.41Å; L73-L188 HydrophobicContact CD2-CG 4.08Å; L73-L188 HydrophobicContact CG-CD1 4.19Å
74K64.4Low72Confident155 Ų15562 Ų6267%0.67431%0.306SS*.G310 helixtrans-61.2-21.3175.6-63.8-174.7178.3-178.40114.5N72 Y79 R215N72-K74 PolarHBondContact O-N 3.05Å; K74-Y79 HydrophobicContact CG-CE1 4.43Å; K74-R215 VanDerWaalsContact CA-NH1 3.3Å; K74-R215 PolarHBondContact O-NH1 2.99Å
75D69.2Low72.6Confident117 Ų11764.3 Ų64.363%0.62631%0.312SS*.G310 helixtrans-81.8-22.3177.9-64.6-4.4000111.7N72 L73 C77N72-D75 HydrophobicContact CB-CB 3.95Å; N72-D75 WeakPolarHBondContact CB-OD2 3.39Å; N72-D75 VanDerWaalsContact CG-OD2 3.3Å; N72-D75 PolarHBondContact ND2-OD2 3.03Å; N72-D75 WeakPolarHBondContact O-CA 3.44Å; N72-D75 VanDerWaalsContact O-CB 3.3Å; N72-D75 WeakPolarHBondContact O-CB 3.35Å; N72-D75 PolarHBondContact O-N 3.13Å; L73-D75 PolarHBondContact O-N 3.27Å; D75-C77 PolarHBondContact O-N 3.35Å
76H81.6Confident73Confident43 Ų4366 Ų6620%0.19933%0.333CS..SBendtrans-77.8122.8174.3-69.2-64.2000110.6L73 W78 Y79L73-H76 PolarHBondContact O-N 2.81Å; L73-H76 VanDerWaalsContact O-N 3.13Å; H76-W78 HydrophobicContact CB-CD2 3.88Å; H76-W78 HydrophobicContact CB-CE3 4.09Å; H76-W78 HydrophobicContact CB-CH2 3.84Å; H76-W78 HydrophobicContact CB-CZ2 3.62Å; H76-W78 HydrophobicContact CB-CZ3 4.06Å; H76-W78 AromaticContact CD2-CH2 3.83Å; H76-W78 AromaticContact CD2-CZ2 3.89Å; H76-W78 AromaticContact CG-CE2 3.83Å; H76-W78 AromaticContact CG-CH2 3.68Å; H76-W78 AromaticContact CG-CZ2 3.37Å; H76-W78 AromaticContact ND1-CE2 3.91Å; H76-W78 AromaticContact ND1-CZ2 3.48Å; H76-W78 WeakPolarHBondContact ND1-CZ2 3.4Å; H76-W78 PolarHBondContact O-N 2.78Å; H76-Y79 PolarHBondContact O-N 2.86Å; H76-Y79 VanDerWaalsContact O-N 3.08Å
77C83Confident73.9Confident66 Ų6665.6 Ų65.645%0.44633%0.333SS..THydrogen-bonded Turntrans-60.2-35.6-176.662.50000112.7D75 Y79 P211 D212D75-C77 PolarHBondContact O-N 3.35Å; C77-Y79 VanDerWaalsContact C-N 3.26Å; C77-Y79 PolarHBondContact O-N 3.01Å; C77-P211 HydrophobicContact CB-CB 4.16Å; C77-P211 CarbonylContact O-C 3.52Å; C77-P211 VanDerWaalsContact O-CA 3.23Å; C77-P211 WeakPolarHBondContact O-CA 3.26Å; C77-D212 PolarHBondContact O-N 2.84Å
78W89.3Confident75.6Confident14 Ų1463.4 Ų63.45%0.05332%0.315CS..THydrogen-bonded Turntrans-76.1-6.2179.642.9-103.8000114H76 H80 F100 L101 I102 L188 L189 V192 P209H76-W78 HydrophobicContact CB-CD2 3.88Å; H76-W78 HydrophobicContact CB-CE3 4.09Å; H76-W78 HydrophobicContact CB-CH2 3.84Å; H76-W78 HydrophobicContact CB-CZ2 3.62Å; H76-W78 HydrophobicContact CB-CZ3 4.06Å; H76-W78 AromaticContact CD2-CH2 3.83Å; H76-W78 AromaticContact CD2-CZ2 3.89Å; H76-W78 AromaticContact CG-CE2 3.83Å; H76-W78 AromaticContact CG-CH2 3.68Å; H76-W78 AromaticContact CG-CZ2 3.37Å; H76-W78 AromaticContact ND1-CE2 3.91Å; H76-W78 AromaticContact ND1-CZ2 3.48Å; H76-W78 WeakPolarHBondContact ND1-CZ2 3.4Å; H76-W78 PolarHBondContact O-N 2.78Å; W78-H80 PolarHBondContact O-CD2 2.8Å; W78-F100 HydrophobicContact CB-CD2 4.39Å; W78-F100 HydrophobicContact CB-CE2 3.88Å; W78-F100 HydrophobicContact CB-CZ 4.49Å; W78-F100 HydrophobicContact CD2-CE2 4.44Å; W78-F100 AromaticContact CG-CE2 3.92Å; W78-F100 HydrophobicContact CG-CE2 3.92Å; W78-F100 HydrophobicContact CG-CZ 4.43Å; W78-L101 CarbonylContact O-C 3.58Å; W78-L101 WeakPolarHBondContact O-CA 3.3Å; W78-I102 HydrophobicContact CE3-CB 4.12Å; W78-I102 HydrophobicContact CE3-CD1 3.75Å; W78-I102 HydrophobicContact CE3-CG1 4.12Å; W78-I102 HydrophobicContact CH2-CD1 4.46Å; W78-I102 HydrophobicContact CZ3-CB 4.36Å; W78-I102 HydrophobicContact CZ3-CD1 3.57Å; W78-I102 HydrophobicContact CZ3-CG1 4.35Å; W78-I102 PolarHBondContact O-N 2.85Å; W78-L188 HydrophobicContact CH2-CB 3.76Å; W78-L188 HydrophobicContact CZ3-CB 4.17Å; W78-L188 HydrophobicContact CZ3-CD1 4.33Å; W78-L189 HydrophobicContact CZ2-CD1 4.26Å; W78-V192 HydrophobicContact CD2-CG2 4.36Å; W78-V192 HydrophobicContact CE3-CG2 4.38Å; W78-V192 HydrophobicContact CH2-CG2 4.03Å; W78-V192 HydrophobicContact CZ2-CB 4.42Å; W78-V192 HydrophobicContact CZ2-CG2 3.98Å; W78-V192 HydrophobicContact CZ3-CG2 4.24Å; W78-P209 HydrophobicContact CB-CB 3.87Å; W78-P209 HydrophobicContact CG-CB 4.25Å
79Y90.8Very high77.5Confident7 Ų762.8 Ų62.83%0.02731%0.31CS..EExtended strand (participates in β ladder)trans-94.7115.7176176.4-105.1000111L73 K74 H76 C77 I102 E104 L112 R215L73-Y79 VanDerWaalsContact C-CD1 3.42Å; L73-Y79 HydrophobicContact CB-CD1 3.6Å; L73-Y79 HydrophobicContact CB-CD2 4.26Å; L73-Y79 HydrophobicContact CB-CE1 3.61Å; L73-Y79 HydrophobicContact CB-CE2 4.3Å; L73-Y79 HydrophobicContact CB-CG 3.9Å; L73-Y79 HydrophobicContact CD1-CD2 4.02Å; L73-Y79 HydrophobicContact CD1-CE1 4.34Å; L73-Y79 HydrophobicContact CD1-CE2 3.67Å; L73-Y79 HydrophobicContact CD1-CG 4.49Å; L73-Y79 VanDerWaalsContact O-CB 3.27Å; L73-Y79 WeakPolarHBondContact O-CB 3.47Å; L73-Y79 WeakPolarHBondContact O-CD1 3.37Å; K74-Y79 HydrophobicContact CG-CE1 4.43Å; H76-Y79 PolarHBondContact O-N 2.86Å; H76-Y79 VanDerWaalsContact O-N 3.08Å; C77-Y79 VanDerWaalsContact C-N 3.26Å; C77-Y79 PolarHBondContact O-N 3.01Å; Y79-I102 CarbonylContact C-O 3.56Å; Y79-I102 WeakPolarHBondContact CA-O 3.23Å; Y79-I102 HydrophobicContact CD2-CB 4.43Å; Y79-I102 HydrophobicContact CD2-CG2 4.05Å; Y79-E104 PolarHBondContact OH-OE1 2.85Å; Y79-L112 HydrophobicContact CE2-CD2 3.88Å; Y79-R215 VanDerWaalsContact O-CZ 3.22Å; Y79-R215 PolarHBondContact O-NH1 3.17Å; Y79-R215 PolarHBondContact O-NH2 3.44Å
80H89.2Confident79.2Confident12 Ų1264.4 Ų64.46%0.05633%0.327CS..EExtended strand (participates in β ladder)trans-98.1-8.5-176.2-72.8-123.5000113.2W78 I83 I102 V210 P211 D212W78-H80 PolarHBondContact O-CD2 2.8Å; H80-I83 HydrophobicContact CB-CD1 3.6Å; H80-I83 HydrophobicContact CB-CG1 3.97Å; H80-I83 HydrophobicContact CB-CG2 4.3Å; H80-I102 PolarHBondContact N-O 3.24Å; H80-V210 PolarHBondContact NE2-O 3.06Å; H80-P211 PolarHBondContact CE1-O 3.47Å; H80-D212 PolarHBondContact NE2-N 2.9Å
81G85.8Confident80.9Confident7 Ų764.8 Ų64.87%0.07233%0.329CS..EExtended strand (participates in β ladder)trans67.7-136.4-176.300000111.8I83 R103 E104G81-I83 PolarHBondContact O-N 2.93Å; G81-I83 VanDerWaalsContact O-N 3.11Å; G81-R103 CarbonylContact O-C 3.59Å; G81-R103 WeakPolarHBondContact O-CA 3.33Å; G81-R103 WeakPolarHBondContact O-CB 3.27Å; G81-E104 PolarHBondContact O-N 2.81Å
82R84.1Confident82.6Confident214 Ų21461.5 Ų61.581%0.80831%0.313SS*.SBendtrans-83.386.4-175.1-162.8176.1-171.1-172.53.5111.5
83I85.4Confident83.8Confident24 Ų2460.9 Ų60.912%0.12332%0.317CS..  trans-120.2147166.360.7166.7000109.1H80 G81 E87 L91 L101 R103H80-I83 HydrophobicContact CB-CD1 3.6Å; H80-I83 HydrophobicContact CB-CG1 3.97Å; H80-I83 HydrophobicContact CB-CG2 4.3Å; G81-I83 PolarHBondContact O-N 2.93Å; G81-I83 VanDerWaalsContact O-N 3.11Å; I83-E87 HydrophobicContact CB-CB 4.25Å; I83-L91 HydrophobicContact CD1-CD1 3.81Å; I83-L101 HydrophobicContact CD1-CD1 4.06Å; I83-L101 HydrophobicContact CD1-CD2 4.35Å; I83-R103 HydrophobicContact CD1-CB 4.23Å; I83-R103 HydrophobicContact CG1-CB 3.59Å; I83-R103 HydrophobicContact CG1-CG 4.42Å; I83-R103 WeakPolarHBondContact O-CD 3.47Å
84S87.4Confident84.5Confident39 Ų3963 Ų6327%0.27334%0.339SS..  trans-70.7161.5177.964.40000112.1A86 E87 S88S84-A86 VanDerWaalsContact C-N 3.3Å; S84-A86 PolarHBondContact O-N 2.84Å; S84-E87 WeakPolarHBondContact CB-OE2 3.32Å; S84-E87 PolarHBondContact N-OE2 2.8Å; S84-E87 PolarHBondContact O-N 3.26Å; S84-E87 WeakPolarHBondContact OG-CB 3.5Å; S84-E87 VanDerWaalsContact OG-CG 3.24Å; S84-E87 WeakPolarHBondContact OG-CG 3.46Å; S84-E87 PolarHBondContact OG-N 3.5Å; S84-E87 PolarHBondContact OG-OE2 2.79Å; S84-S88 PolarHBondContact O-N 3.02Å; S84-S88 PolarHBondContact O-OG 2.81Å
85R89.4Confident85.6Confident129 Ų12956.9 Ų56.949%0.48732%0.316SS..Hα-helixtrans-50.2-48.4169.3-175.5175.9177.1150.91.4112.7E87 S88 E89 D106R85-E87 PolarHBondContact O-N 3.13Å; R85-S88 WeakPolarHBondContact CA-OG 3.46Å; R85-S88 PolarHBondContact O-N 2.89Å; R85-S88 PolarHBondContact O-OG 2.61Å; R85-E89 WeakPolarHBondContact CG-OE1 3.38Å; R85-E89 IonicContact CZ-OE1 3.8Å; R85-E89 IonicContact NE-OE1 3.87Å; R85-E89 PolarHBondContact NE-OE1 3.1Å; R85-E89 IonicContact NH2-OE1 2.89Å; R85-E89 WeakPolarHBondContact O-CG 3.33Å; R85-E89 PolarHBondContact O-N 3.33Å; R85-D106 PolarHBondContact N-OD2 2.73Å; R85-D106 VanDerWaalsContact N-OD2 3.08Å
86A86.9Confident86.5Confident71 Ų7153.5 Ų53.559%0.58730%0.301SS*.Hα-helixtrans-64.1-39.6-178.700000112.3S84 E89 S90S84-A86 VanDerWaalsContact C-N 3.3Å; S84-A86 PolarHBondContact O-N 2.84Å; A86-E89 PolarHBondContact O-N 3.23Å; A86-S90 WeakPolarHBondContact O-CB 3.42Å; A86-S90 PolarHBondContact O-N 3.43Å
87E85.2Confident87Confident106 Ų10654.5 Ų54.550%0.49531%0.31SS..Hα-helixtrans-64.2-41.8174-73.6166.1130.400111.5I83 S84 R85 E89 S90 L91I83-E87 HydrophobicContact CB-CB 4.25Å; S84-E87 WeakPolarHBondContact CB-OE2 3.32Å; S84-E87 PolarHBondContact N-OE2 2.8Å; S84-E87 PolarHBondContact O-N 3.26Å; S84-E87 WeakPolarHBondContact OG-CB 3.5Å; S84-E87 VanDerWaalsContact OG-CG 3.24Å; S84-E87 WeakPolarHBondContact OG-CG 3.46Å; S84-E87 PolarHBondContact OG-N 3.5Å; S84-E87 PolarHBondContact OG-OE2 2.79Å; R85-E87 PolarHBondContact O-N 3.13Å; E87-E89 PolarHBondContact O-N 3.29Å; E87-S90 WeakPolarHBondContact O-CB 3.48Å; E87-S90 PolarHBondContact O-N 2.78Å; E87-L91 WeakPolarHBondContact O-CB 3.44Å; E87-L91 VanDerWaalsContact O-CG 3.29Å; E87-L91 WeakPolarHBondContact O-CG 3.49Å; E87-L91 PolarHBondContact O-N 3.02Å
88S89.7Confident87.5Confident0 Ų051.3 Ų51.30%029%0.288CS..Hα-helixtrans-63.7-38.5176.665.80000113.2S84 R85 L91 L92 R103 H147S84-S88 PolarHBondContact O-N 3.02Å; S84-S88 PolarHBondContact O-OG 2.81Å; R85-S88 WeakPolarHBondContact CA-OG 3.46Å; R85-S88 PolarHBondContact O-N 2.89Å; R85-S88 PolarHBondContact O-OG 2.61Å; S88-L91 PolarHBondContact O-N 2.96Å; S88-L92 WeakPolarHBondContact O-CB 3.49Å; S88-L92 WeakPolarHBondContact O-CG 3.36Å; S88-L92 PolarHBondContact O-N 3.25Å; S88-L92 VanDerWaalsContact O-N 3.08Å; S88-R103 PolarHBondContact OG-NE 2.91Å; S88-H147 PolarHBondContact OG-CE1 3.21Å
89E90.8Very high87.7Confident38 Ų3850.9 Ų50.918%0.17829%0.287CS..Hα-helixtrans-68.5-38.8175.9-70.6174.3-174.400111.4R85 A86 E87 L92 S93 T143 V145 H147R85-E89 WeakPolarHBondContact CG-OE1 3.38Å; R85-E89 IonicContact CZ-OE1 3.8Å; R85-E89 IonicContact NE-OE1 3.87Å; R85-E89 PolarHBondContact NE-OE1 3.1Å; R85-E89 IonicContact NH2-OE1 2.89Å; R85-E89 WeakPolarHBondContact O-CG 3.33Å; R85-E89 PolarHBondContact O-N 3.33Å; A86-E89 PolarHBondContact O-N 3.23Å; E87-E89 PolarHBondContact O-N 3.29Å; E89-L92 PolarHBondContact O-N 3.08Å; E89-S93 PolarHBondContact O-N 3.23Å; E89-T143 HydrophobicContact CB-CG2 4.4Å; E89-V145 HydrophobicContact CG-CB 4.17Å; E89-V145 HydrophobicContact CG-CG1 4.19Å; E89-H147 IonicContact OE1-CD2 3.61Å; E89-H147 IonicContact OE1-CE1 3.57Å; E89-H147 IonicContact OE1-NE2 2.81Å; E89-H147 PolarHBondContact OE1-NE2 3.46Å
90S84.8Confident87.9Confident92 Ų9250.8 Ų50.864%0.64329%0.287SS*.Hα-helixtrans-62.5-43173.9-175.10000112.2A86 E87 L92 S93A86-S90 WeakPolarHBondContact O-CB 3.42Å; A86-S90 PolarHBondContact O-N 3.43Å; E87-S90 WeakPolarHBondContact O-CB 3.48Å; E87-S90 PolarHBondContact O-N 2.78Å; S90-L92 VanDerWaalsContact C-N 3.33Å; S90-L92 PolarHBondContact O-N 3.13Å; S90-S93 WeakPolarHBondContact O-CB 2.82Å; S90-S93 PolarHBondContact O-N 3.29Å
91L86.8Confident88.2Confident54 Ų5450.2 Ų50.228%0.28328%0.284SS..Hα-helixtrans-66.7-32.1177.3-73.2169.8000113.4I83 E87 S88 L101 L269I83-L91 HydrophobicContact CD1-CD1 3.81Å; E87-L91 WeakPolarHBondContact O-CB 3.44Å; E87-L91 VanDerWaalsContact O-CG 3.29Å; E87-L91 WeakPolarHBondContact O-CG 3.49Å; E87-L91 PolarHBondContact O-N 3.02Å; S88-L91 PolarHBondContact O-N 2.96Å; L91-L101 HydrophobicContact CB-CD2 4.21Å; L91-L101 HydrophobicContact CD1-CD2 4.31Å; L91-L269 HydrophobicContact CD2-CD2 3.71Å
92L88.8Confident88.6Confident0 Ų049.9 Ų49.90%028%0.281CS..Hα-helixtrans-89.6-11.7179.5-70.4173.7000113.1S88 E89 S90 G94 S95 L101 C115 V117 V145 V210S88-L92 WeakPolarHBondContact O-CB 3.49Å; S88-L92 WeakPolarHBondContact O-CG 3.36Å; S88-L92 PolarHBondContact O-N 3.25Å; S88-L92 VanDerWaalsContact O-N 3.08Å; E89-L92 PolarHBondContact O-N 3.08Å; S90-L92 VanDerWaalsContact C-N 3.33Å; S90-L92 PolarHBondContact O-N 3.13Å; L92-G94 PolarHBondContact O-N 2.8Å; L92-S95 VanDerWaalsContact O-CB 3.23Å; L92-S95 WeakPolarHBondContact O-CB 3.25Å; L92-S95 PolarHBondContact O-N 3.16Å; L92-S95 VanDerWaalsContact O-N 3.1Å; L92-S95 PolarHBondContact O-OG 2.96Å; L92-L101 HydrophobicContact CD1-CD2 4.28Å; L92-L101 HydrophobicContact CD1-CG 4.21Å; L92-L101 HydrophobicContact CD2-CD2 4.2Å; L92-L101 HydrophobicContact CD2-CG 4.43Å; L92-L101 HydrophobicContact CG-CD2 3.97Å; L92-L101 HydrophobicContact CG-CG 4.37Å; L92-C115 HydrophobicContact CD1-CB 3.64Å; L92-V117 HydrophobicContact CB-CG2 3.74Å; L92-V117 HydrophobicContact CD1-CG2 4.43Å; L92-V117 HydrophobicContact CD2-CG2 4.03Å; L92-V117 HydrophobicContact CG-CG2 4.28Å; L92-V145 HydrophobicContact CB-CG2 3.89Å; L92-V145 HydrophobicContact CD1-CG1 3.62Å; L92-V145 HydrophobicContact CD1-CG2 4.34Å; L92-V210 HydrophobicContact CD2-CB 4.24Å; L92-V210 HydrophobicContact CD2-CG2 3.65Å
93S82.6Confident89Confident86 Ų8640.2 Ų40.260%0.60124%0.244SC*.THydrogen-bonded Turntrans-57.8131.4179.2-171.30000111.6E89 S90 S95E89-S93 PolarHBondContact O-N 3.23Å; S90-S93 WeakPolarHBondContact O-CB 2.82Å; S90-S93 PolarHBondContact O-N 3.29Å; S93-S95 PolarHBondContact O-N 3.18Å
94G79.8Confident89.2Confident48 Ų4842.2 Ų42.250%0.49525%0.253SS..THydrogen-bonded Turntrans72.6-1.8-178.500000115.5L92 P387L92-G94 PolarHBondContact O-N 2.8Å; G94-P387 VanDerWaalsContact O-CB 3.26Å; G94-P387 WeakPolarHBondContact O-CB 3.27Å
95S86.1Confident89.1Confident27 Ų2741.2 Ų41.219%0.18925%0.246CC..PPolyproline II helixtrans-73.3152.5176.1-620000111.4L92 S93 S99L92-S95 VanDerWaalsContact O-CB 3.23Å; L92-S95 WeakPolarHBondContact O-CB 3.25Å; L92-S95 PolarHBondContact O-N 3.16Å; L92-S95 VanDerWaalsContact O-N 3.1Å; L92-S95 PolarHBondContact O-OG 2.96Å; S93-S95 PolarHBondContact O-N 3.18Å; S95-S99 WeakPolarHBondContact CB-OG 3.34Å
96P89.4Confident88.5Confident46 Ų4639.3 Ų39.330%0.29925%0.246SC..PPolyproline II helixtrans-61.9157.3177.625.6-34.2000112.4G98 S99P96-G98 PolarHBondContact O-N 2.91Å; P96-S99 WeakPolarHBondContact CD-OG 3.14Å; P96-S99 WeakPolarHBondContact O-CB 3.41Å; P96-S99 PolarHBondContact O-N 2.7Å; P96-S99 PolarHBondContact O-OG 2.71Å; P96-S99 VanDerWaalsContact O-OG 3.13Å
97V91.9Very high88.1Confident64 Ų6442.9 Ų42.939%0.38825%0.254SS..THydrogen-bonded Turntrans-56.3137.7173.7178.30000109.8S99 P119 C204V97-S99 VanDerWaalsContact C-N 3.31Å; V97-P119 HydrophobicContact CG1-CG 4.22Å; V97-C204 HydrophobicContact CG1-CB 4.14Å
98G92.5Very high87.4Confident0 Ų042.8 Ų42.80%025%0.25CS..THydrogen-bonded Turntrans84.70.8-173.800000114P96 V117 C204 A205 L207 H208P96-G98 PolarHBondContact O-N 2.91Å; G98-V117 PolarHBondContact N-O 3.15Å; G98-C204 VanDerWaalsContact CA-SG 3.59Å; G98-A205 WeakPolarHBondContact CA-O 3.07Å; G98-L207 PolarHBondContact O-N 3.07Å; G98-H208 PolarHBondContact O-N 2.91Å
99S94.6Very high86.3Confident4 Ų449 Ų493%0.02829%0.293CS..EExtended strand (participates in β ladder)trans-65.4136.6167.2-77.90000112S95 P96 V97 V116 V117 H208S95-S99 WeakPolarHBondContact CB-OG 3.34Å; P96-S99 WeakPolarHBondContact CD-OG 3.14Å; P96-S99 WeakPolarHBondContact O-CB 3.41Å; P96-S99 PolarHBondContact O-N 2.7Å; P96-S99 PolarHBondContact O-OG 2.71Å; P96-S99 VanDerWaalsContact O-OG 3.13Å; V97-S99 VanDerWaalsContact C-N 3.31Å; S99-V116 CarbonylContact O-C 3.48Å; S99-V116 WeakPolarHBondContact O-CA 3.49Å; S99-V117 PolarHBondContact O-N 2.82Å; S99-H208 WeakPolarHBondContact CA-O 3.33Å; S99-H208 WeakPolarHBondContact OG-CB 3.28Å
100F95.6Very high85.2Confident5 Ų548.2 Ų48.22%0.02230%0.296CS..EExtended strand (participates in β ladder)trans-148.2157.8-174.174.1-82.9000114.4W78 L114 C115 V116 V192 L206 H208 P209 V210W78-F100 HydrophobicContact CB-CD2 4.39Å; W78-F100 HydrophobicContact CB-CE2 3.88Å; W78-F100 HydrophobicContact CB-CZ 4.49Å; W78-F100 HydrophobicContact CD2-CE2 4.44Å; W78-F100 AromaticContact CG-CE2 3.92Å; W78-F100 HydrophobicContact CG-CE2 3.92Å; W78-F100 HydrophobicContact CG-CZ 4.43Å; F100-L114 HydrophobicContact CB-CD1 4.32Å; F100-L114 HydrophobicContact CD2-CD1 4.01Å; F100-C115 CarbonylContact C-O 3.45Å; F100-C115 WeakPolarHBondContact CA-O 3.43Å; F100-C115 WeakPolarHBondContact CB-O 3.03Å; F100-V116 HydrophobicContact CB-CG2 4.23Å; F100-V192 HydrophobicContact CE2-CG1 3.69Å; F100-V192 HydrophobicContact CE2-CG2 4.19Å; F100-V192 HydrophobicContact CZ-CG1 3.61Å; F100-L206 HydrophobicContact CB-CD2 3.81Å; F100-L206 HydrophobicContact CD1-CB 3.73Å; F100-L206 HydrophobicContact CD1-CD2 4.19Å; F100-L206 HydrophobicContact CD1-CG 4.43Å; F100-L206 HydrophobicContact CD2-CD1 4.26Å; F100-L206 HydrophobicContact CD2-CD2 4.36Å; F100-L206 HydrophobicContact CE1-CB 3.73Å; F100-L206 HydrophobicContact CE2-CD1 4.33Å; F100-L206 HydrophobicContact CG-CB 4.18Å; F100-L206 HydrophobicContact CG-CD1 4.49Å; F100-L206 HydrophobicContact CG-CD2 3.87Å; F100-L206 HydrophobicContact CG-CG 4.4Å; F100-L206 HydrophobicContact CZ-CB 4.18Å; F100-H208 PolarHBondContact N-O 3.23Å; F100-P209 HydrophobicContact CE1-CB 3.85Å; F100-P209 HydrophobicContact CE1-CG 4.39Å; F100-P209 HydrophobicContact CE2-CB 4.34Å; F100-P209 HydrophobicContact CZ-CB 3.68Å; F100-P209 HydrophobicContact CZ-CG 4.45Å; F100-V210 PolarHBondContact O-N 2.59Å
101L95.2Very high85.1Confident0 Ų044.3 Ų44.30%027%0.27CS..EExtended strand (participates in β ladder)trans-147.4162.6168.564.380.6000110.7W78 I83 L91 L92 R103 C115W78-L101 CarbonylContact O-C 3.58Å; W78-L101 WeakPolarHBondContact O-CA 3.3Å; I83-L101 HydrophobicContact CD1-CD1 4.06Å; I83-L101 HydrophobicContact CD1-CD2 4.35Å; L91-L101 HydrophobicContact CB-CD2 4.21Å; L91-L101 HydrophobicContact CD1-CD2 4.31Å; L92-L101 HydrophobicContact CD1-CD2 4.28Å; L92-L101 HydrophobicContact CD1-CG 4.21Å; L92-L101 HydrophobicContact CD2-CD2 4.2Å; L92-L101 HydrophobicContact CD2-CG 4.43Å; L92-L101 HydrophobicContact CG-CD2 3.97Å; L92-L101 HydrophobicContact CG-CG 4.37Å; L101-R103 HydrophobicContact CD1-CB 4.28Å; L101-R103 HydrophobicContact CD1-CG 4.48Å; L101-C115 HydrophobicContact CD1-CB 3.91Å; L101-C115 HydrophobicContact CG-CB 4.14Å; L101-C115 PolarHBondContact N-O 2.75Å; L101-C115 PolarHBondContact O-N 2.81Å
102I94.6Very high85.3Confident0 Ų041.9 Ų41.90%026%0.257CS..EExtended strand (participates in β ladder)trans-118.3132.4172.5-65.8175.5000109.3W78 Y79 H80 L112 T113 L114 I150 L188 V192W78-I102 HydrophobicContact CE3-CB 4.12Å; W78-I102 HydrophobicContact CE3-CD1 3.75Å; W78-I102 HydrophobicContact CE3-CG1 4.12Å; W78-I102 HydrophobicContact CH2-CD1 4.46Å; W78-I102 HydrophobicContact CZ3-CB 4.36Å; W78-I102 HydrophobicContact CZ3-CD1 3.57Å; W78-I102 HydrophobicContact CZ3-CG1 4.35Å; W78-I102 PolarHBondContact O-N 2.85Å; Y79-I102 CarbonylContact C-O 3.56Å; Y79-I102 WeakPolarHBondContact CA-O 3.23Å; Y79-I102 HydrophobicContact CD2-CB 4.43Å; Y79-I102 HydrophobicContact CD2-CG2 4.05Å; H80-I102 PolarHBondContact N-O 3.24Å; I102-L112 HydrophobicContact CG2-CB 4.35Å; I102-T113 WeakPolarHBondContact CA-O 3.5Å; I102-L114 HydrophobicContact CD1-CD1 4.24Å; I102-L114 HydrophobicContact CG1-CB 4.31Å; I102-L114 HydrophobicContact CG1-CD1 3.76Å; I102-I150 HydrophobicContact CD1-CD1 3.88Å; I102-I150 HydrophobicContact CG1-CD1 4.1Å; I102-I150 HydrophobicContact CG2-CD1 3.82Å; I102-L188 HydrophobicContact CG2-CD1 4.44Å; I102-V192 HydrophobicContact CD1-CG2 3.76Å
103R92.2Very high85.6Confident11 Ų1142.4 Ų42.44%0.04226%0.26CS..EExtended strand (participates in β ladder)trans-127.8165177.764-178.5-177.890.3-2.1111.5G81 I83 S88 L101 D106 L112 T113 C115 H147G81-R103 CarbonylContact O-C 3.59Å; G81-R103 WeakPolarHBondContact O-CA 3.33Å; G81-R103 WeakPolarHBondContact O-CB 3.27Å; I83-R103 HydrophobicContact CD1-CB 4.23Å; I83-R103 HydrophobicContact CG1-CB 3.59Å; I83-R103 HydrophobicContact CG1-CG 4.42Å; I83-R103 WeakPolarHBondContact O-CD 3.47Å; S88-R103 PolarHBondContact OG-NE 2.91Å; L101-R103 HydrophobicContact CD1-CB 4.28Å; L101-R103 HydrophobicContact CD1-CG 4.48Å; R103-D106 IonicContact CZ-OD2 2.81Å; R103-D106 IonicContact NH1-OD1 3.76Å; R103-D106 IonicContact NH1-OD2 3.9Å; R103-D106 PolarHBondContact NH1-OD2 3.03Å; R103-D106 IonicContact NH2-OD2 3.6Å; R103-L112 CarbonylContact O-C 3.59Å; R103-L112 WeakPolarHBondContact O-CA 3.23Å; R103-T113 PolarHBondContact N-O 3.1Å; R103-T113 PolarHBondContact O-N 3.19Å; R103-C115 PolarHBondContact NE-SG 2.84Å; R103-C115 VanDerWaalsContact NE-SG 3.4Å; R103-H147 PolarHBondContact NH2-ND1 3.48Å
104E89.8Confident86.2Confident67 Ų6738.3 Ų38.331%0.31323%0.232SC..EExtended strand (participates in β ladder)trans-66.9144.4165.2-67.4179.2-158.800110.2Y79 G81 L112Y79-E104 PolarHBondContact OH-OE1 2.85Å; G81-E104 PolarHBondContact O-N 2.81Å; E104-L112 HydrophobicContact CG-CD2 4.19Å
105S84.6Confident87Confident17 Ų1736 Ų3612%0.11921%0.208CC..  trans-75.2127.9178.7177.50000110.6L107 Y108 G111S105-L107 PolarHBondContact O-N 2.77Å; S105-L107 PolarHBondContact OG-N 3.45Å; S105-Y108 WeakPolarHBondContact OG-CD2 3.22Å; S105-Y108 PolarHBondContact OG-N 2.85Å; S105-G111 WeakPolarHBondContact CB-O 3.49Å; S105-G111 PolarHBondContact N-O 3.19Å
106D77.7Confident87.4Confident90 Ų9034.7 Ų34.748%0.48120%0.199SC..SBendtrans-65.6-28.1173.1-59.9-47.5000112R85 R103R85-D106 PolarHBondContact N-OD2 2.73Å; R85-D106 VanDerWaalsContact N-OD2 3.08Å; R103-D106 IonicContact CZ-OD2 2.81Å; R103-D106 IonicContact NH1-OD1 3.76Å; R103-D106 IonicContact NH1-OD2 3.9Å; R103-D106 PolarHBondContact NH1-OD2 3.03Å; R103-D106 IonicContact NH2-OD2 3.6Å
107L76.8Confident87.7Confident146 Ų14632.6 Ų32.676%0.76419%0.185SC*.SBendtrans-93.1-22.2-172.6-65.9172.2000113.8S105S105-L107 PolarHBondContact O-N 2.77Å; S105-L107 PolarHBondContact OG-N 3.45Å
108Y70.6Confident87.7Confident104 Ų10429.6 Ų29.641%0.40817%0.168SC..SBendtrans-133.2111.6-171.1-58.8-69000109S105 G110 G111 R149S105-Y108 WeakPolarHBondContact OG-CD2 3.22Å; S105-Y108 PolarHBondContact OG-N 2.85Å; Y108-G110 PolarHBondContact O-N 3.18Å; Y108-G110 VanDerWaalsContact O-N 3.15Å; Y108-G111 WeakPolarHBondContact O-CA 3.3Å; Y108-G111 PolarHBondContact O-N 2.97Å; Y108-R149 VanDerWaalsContact CE2-CZ 3.45Å
109S67.5Low87.5Confident129 Ų12933 Ų3390%0.90219%0.19SC*.THydrogen-bonded Turntrans-56.7121.2176.753.20000110.4G111S109-G111 PolarHBondContact O-N 3.19Å
110G67.7Low86.7Confident23 Ų2336.9 Ų36.924%0.23722%0.222CC..THydrogen-bonded Turntrans75.2-6.9-174.200000115.6Y108 R152Y108-G110 PolarHBondContact O-N 3.18Å; Y108-G110 VanDerWaalsContact O-N 3.15Å; G110-R152 VanDerWaalsContact CA-CZ 3.44Å; G110-R152 VanDerWaalsContact CA-NH1 3.31Å; G110-R152 WeakPolarHBondContact O-CD 3.35Å; G110-R152 PolarHBondContact O-NE 3.22Å; G110-R152 PolarHBondContact O-NH1 3.37Å
111G81.9Confident85.1Confident10 Ų1042 Ų4210%0.10326%0.257CS..  trans-64.5158.1169.100000111.4S105 Y108 S109S105-G111 WeakPolarHBondContact CB-O 3.49Å; S105-G111 PolarHBondContact N-O 3.19Å; Y108-G111 WeakPolarHBondContact O-CA 3.3Å; Y108-G111 PolarHBondContact O-N 2.97Å; S109-G111 PolarHBondContact O-N 3.19Å
112L92Very high83Confident2 Ų246.8 Ų46.81%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-121.8154.7175.6-65.9174.4000109.4L73 Y79 I102 R103 E104 I150 Y177 L188L73-L112 HydrophobicContact CD1-CD1 4.24Å; Y79-L112 HydrophobicContact CE2-CD2 3.88Å; I102-L112 HydrophobicContact CG2-CB 4.35Å; R103-L112 CarbonylContact O-C 3.59Å; R103-L112 WeakPolarHBondContact O-CA 3.23Å; E104-L112 HydrophobicContact CG-CD2 4.19Å; L112-I150 HydrophobicContact CB-CB 3.86Å; L112-I150 HydrophobicContact CB-CD1 3.92Å; L112-I150 HydrophobicContact CB-CG1 4.47Å; L112-I150 HydrophobicContact CB-CG2 4.35Å; L112-I150 PolarHBondContact O-N 3.28Å; L112-Y177 HydrophobicContact CD1-CD1 4.46Å; L112-Y177 HydrophobicContact CD1-CE1 4.06Å; L112-L188 HydrophobicContact CD1-CD1 3.47Å; L112-L188 VanDerWaalsContact CD1-CD1 3.47Å; L112-L188 HydrophobicContact CD1-CD2 4.01Å; L112-L188 HydrophobicContact CD1-CG 4.21Å
113T94.8Very high80.7Confident11 Ų1153.6 Ų53.67%0.06734%0.338CS..EExtended strand (participates in β ladder)trans-131.7126.8177.3-53.60000109.1I102 R103 H147 Y148I102-T113 WeakPolarHBondContact CA-O 3.5Å; R103-T113 PolarHBondContact N-O 3.1Å; R103-T113 PolarHBondContact O-N 3.19Å; T113-H147 HydrophobicContact CG2-CB 3.95Å; T113-Y148 CarbonylContact C-O 3.56Å; T113-Y148 WeakPolarHBondContact CA-O 3.24Å
114L95.8Very high77.9Confident0 Ų056 Ų560%037%0.366CS..EExtended strand (participates in β ladder)trans-88.3121.8168.817166.4000108.7F100 I102 V116 H147 Y148 I150 L179 L202 L206F100-L114 HydrophobicContact CB-CD1 4.32Å; F100-L114 HydrophobicContact CD2-CD1 4.01Å; I102-L114 HydrophobicContact CD1-CD1 4.24Å; I102-L114 HydrophobicContact CG1-CB 4.31Å; I102-L114 HydrophobicContact CG1-CD1 3.76Å; L114-V116 HydrophobicContact CD1-CG2 4.08Å; L114-V116 HydrophobicContact CD2-CG2 4.11Å; L114-V116 HydrophobicContact CG-CG2 3.74Å; L114-H147 CarbonylContact O-C 3.47Å; L114-H147 WeakPolarHBondContact O-CA 3.36Å; L114-Y148 HydrophobicContact CD2-CD2 4.49Å; L114-Y148 PolarHBondContact N-O 2.79Å; L114-Y148 PolarHBondContact O-N 3.3Å; L114-I150 HydrophobicContact CB-CD1 3.98Å; L114-I150 HydrophobicContact CB-CG1 4.2Å; L114-L179 HydrophobicContact CD2-CD1 3.82Å; L114-L202 HydrophobicContact CD2-CD1 3.94Å; L114-L206 HydrophobicContact CD1-CD1 4.21Å; L114-L206 HydrophobicContact CD1-CD2 4.22Å; L114-L206 HydrophobicContact CD2-CD1 4.2Å; L114-L206 HydrophobicContact CD2-CD2 4.28Å
115C96Very high75.2Confident0 Ų057.4 Ų57.40%038%0.383CS..EExtended strand (participates in β ladder)trans-107.7128.4177.8-56.60000109L92 F100 L101 R103 V145 Q146 H147L92-C115 HydrophobicContact CD1-CB 3.64Å; F100-C115 CarbonylContact C-O 3.45Å; F100-C115 WeakPolarHBondContact CA-O 3.43Å; F100-C115 WeakPolarHBondContact CB-O 3.03Å; L101-C115 HydrophobicContact CD1-CB 3.91Å; L101-C115 HydrophobicContact CG-CB 4.14Å; L101-C115 PolarHBondContact N-O 2.75Å; L101-C115 PolarHBondContact O-N 2.81Å; R103-C115 PolarHBondContact NE-SG 2.84Å; R103-C115 VanDerWaalsContact NE-SG 3.4Å; C115-V145 HydrophobicContact CB-CG1 4.37Å; C115-Q146 CarbonylContact C-O 3.59Å; C115-Q146 WeakPolarHBondContact CA-O 3.29Å; C115-H147 PolarHBondContact SG-ND1 3.46Å
116V95.3Very high73Confident0 Ų062.7 Ų62.70%042%0.417CS..EExtended strand (participates in β ladder)trans-135.5133.5-173.5-169.60000111S99 F100 L114 G118 V145 Q146 Y148 V203 L206S99-V116 CarbonylContact O-C 3.48Å; S99-V116 WeakPolarHBondContact O-CA 3.49Å; F100-V116 HydrophobicContact CB-CG2 4.23Å; L114-V116 HydrophobicContact CD1-CG2 4.08Å; L114-V116 HydrophobicContact CD2-CG2 4.11Å; L114-V116 HydrophobicContact CG-CG2 3.74Å; V116-G118 PolarHBondContact O-N 3.18Å; V116-V145 CarbonylContact O-C 3.57Å; V116-V145 WeakPolarHBondContact O-CA 3.44Å; V116-Q146 PolarHBondContact N-O 3.23Å; V116-Q146 PolarHBondContact O-N 2.65Å; V116-Y148 HydrophobicContact CB-CE2 4.37Å; V116-Y148 HydrophobicContact CG2-CD2 4.13Å; V116-Y148 HydrophobicContact CG2-CE2 4.08Å; V116-V203 HydrophobicContact CG1-CG1 4.34Å; V116-L206 HydrophobicContact CB-CD2 4.43Å; V116-L206 HydrophobicContact CG1-CD2 3.97Å; V116-L206 HydrophobicContact CG2-CD2 3.54Å
117V94.4Very high71.1Confident1 Ų164.7 Ų64.71%0.00643%0.428CS..EExtended strand (participates in β ladder)trans-77.9112.4171.5-178.30000109.5L92 G98 S99 N144 V145 C204L92-V117 HydrophobicContact CB-CG2 3.74Å; L92-V117 HydrophobicContact CD1-CG2 4.43Å; L92-V117 HydrophobicContact CD2-CG2 4.03Å; L92-V117 HydrophobicContact CG-CG2 4.28Å; G98-V117 PolarHBondContact N-O 3.15Å; S99-V117 PolarHBondContact O-N 2.82Å; V117-N144 VanDerWaalsContact CG1-ND2 3.26Å; V117-N144 WeakPolarHBondContact CG1-ND2 3.42Å; V117-V145 HydrophobicContact CG2-CG2 4.33Å; V117-C204 PolarHBondContact O-SG 3.27Å
118G91.3Very high69.3Low2 Ų263.1 Ų63.12%0.02143%0.425CS..PPolyproline II helixtrans-88173.7173.600000113.4V116 N144V116-G118 PolarHBondContact O-N 3.18Å; G118-N144 PolarHBondContact N-O 3.4Å; G118-N144 PolarHBondContact O-ND2 3.39Å
119P88.5Confident67.6Low72 Ų7264.3 Ų64.347%0.46844%0.443SS..PPolyproline II helixtrans-56.9145.2169.6-20.232.4000111.4V97 C121V97-P119 HydrophobicContact CG1-CG 4.22Å; P119-C121 PolarHBondContact O-N 2.94Å
120A78.6Confident66.1Low84 Ų8467.5 Ų67.569%0.69444%0.443SS*.PPolyproline II helixtrans-63.1129174.100000110A122A120-A122 PolarHBondContact O-N 3.08Å
121C61.1Low64.7Low113 Ų11374.2 Ų74.276%0.76447%0.468SS*.PPolyproline II helixtrans-65.4119.1169.2-64.30000108.1P119 V123P119-C121 PolarHBondContact O-N 2.94Å; C121-V123 PolarHBondContact O-N 3.37Å
122A51.8Low62.7Low100 Ų10081 Ų8183%0.82650%0.498SS*.  trans-61.1112.2170.900000108.3A120 G124A120-A122 PolarHBondContact O-N 3.08Å; A122-G124 PolarHBondContact O-N 3.47Å; A122-G124 VanDerWaalsContact O-N 3.09Å
123V45.7Very low59.8Low143 Ų14387.6 Ų87.687%0.86753%0.533SS*.  trans-64.1112169.1-175.80000105.8C121 S125C121-V123 PolarHBondContact O-N 3.37Å; V123-S125 PolarHBondContact O-N 3.47Å
124G35.1Very low57Low62 Ų6292.4 Ų92.464%0.63957%0.567SS**  trans-52.5133.8177.200000110.2A122A122-G124 PolarHBondContact O-N 3.47Å; A122-G124 VanDerWaalsContact O-N 3.09Å
125S32.4Very low53.9Low96 Ų9699.6 Ų99.667%0.67161%0.611SS**  trans-48.5130.5173.2-1680000109.7V123 D127V123-S125 PolarHBondContact O-N 3.47Å; S125-D127 VanDerWaalsContact C-N 3.27Å; S125-D127 PolarHBondContact O-N 3.41Å
126P38.6Very low51.1Low128 Ų128105.3 Ų105.383%0.83165%0.646SS**  trans-78.282.9175.731.9-30.2000108.4
127D38.1Very low48Very low132 Ų132111.2 Ų111.271%0.70668%0.682SS**  trans-88.9120.8167.1-96.6-26.7000110.5S125S125-D127 VanDerWaalsContact C-N 3.27Å; S125-D127 PolarHBondContact O-N 3.41Å
128T37.5Very low45Very low114 Ų114117.2 Ų117.270%0.69972%0.721SS**SBendtrans65.8107.6149.953.10000119.4
129T35.1Very low42.1Very low129 Ų129122 Ų12279%0.79175%0.751SS**  trans61.199.2136.159.10000117.8
130E35.6Very low39.7Very low195 Ų195125.3 Ų125.391%0.91177%0.765SS**  -166.3158.4121.7-107.4172.9-167.200111.9
131H39.4Very low38.2Very low164 Ų164127.9 Ų127.976%0.75977%0.772SS**  trans-85.8151.2-148.5-88.8-69000115.6
132Q38.9Very low38Very low154 Ų154131.3 Ų131.372%0.7278%0.78SS**  trans79.6122.7138.5-72.7169.338.300120.5
133N32.5Very low38.9Very low140 Ų140129.5 Ų129.575%0.74976%0.758SS**  trans67.198.6143.9-63.4-13.4000118.6
134S35.3Very low40.9Very low112 Ų112125.4 Ų125.478%0.78373%0.731SS**  175128.8109.8-74.90000110.5V136S134-V136 PolarHBondContact O-N 2.99Å
135T30.7Very low43.6Very low150 Ų150122.7 Ų122.792%0.9270%0.703SS**  trans-64.898.9174.9420000110.9
136V36.7Very low46.5Very low121 Ų121122.7 Ų122.773%0.73369%0.692SS**  trans-136.4117.1165-176.60000107.6S134S134-V136 PolarHBondContact O-N 2.99Å
137T30.8Very low49.2Very low124 Ų124118.4 Ų118.476%0.76166%0.661SS**PPolyproline II helixtrans-50.3129.3170.527.50000110.8P139T137-P139 WeakPolarHBondContact O-CD 3.49Å
138P32.1Very low51.8Low127 Ų127114.8 Ų114.883%0.82564%0.638SS**PPolyproline II helixtrans-71.7123.6178.228.5-30.4000109.3
139P30.3Very low54.5Low101 Ų101115.1 Ų115.166%0.65663%0.626SS**PPolyproline II helixtrans-84.6147.1169.534-28000109.7T137T137-P139 WeakPolarHBondContact O-CD 3.49Å
140N37.9Very low57.2Low143 Ų143109 Ų10977%0.76559%0.588SS**  trans8098.8161.7-50.3-22.9000116.6M142N140-M142 PolarHBondContact O-N 3.45Å
141T45.9Very low59.7Low137 Ų137100.6 Ų100.684%0.8455%0.55SS**  trans-45.7104.914738.50000109T143T141-T143 PolarHBondContact O-N 3.47Å
142M58.2Low61.8Low186 Ų18697.7 Ų97.792%0.91653%0.533SS*.  trans-59.1110.2172.5-86.8-174.2144.300108.2N140N140-M142 PolarHBondContact O-N 3.45Å
143T70.4Confident63.7Low62 Ų6296.1 Ų96.138%0.3852%0.52SS..  trans-70.3137.6173.162.60000107.8E89 T141 V145E89-T143 HydrophobicContact CB-CG2 4.4Å; T141-T143 PolarHBondContact O-N 3.47Å; T143-V145 PolarHBondContact O-N 3.4Å; T143-V145 VanDerWaalsContact O-N 3.13Å
144N87.9Confident65.6Low56 Ų5693.6 Ų93.630%0.29951%0.512SS..  trans-78.119.3172.262.2-30.8000112V117 G118V117-N144 VanDerWaalsContact CG1-ND2 3.26Å; V117-N144 WeakPolarHBondContact CG1-ND2 3.42Å; G118-N144 PolarHBondContact N-O 3.4Å; G118-N144 PolarHBondContact O-ND2 3.39Å
145V91.9Very high66.9Low6 Ų693 Ų934%0.03650%0.495CS..EExtended strand (participates in β ladder)trans-95.5119.2-176.4179.90000109.7E89 L92 C115 V116 V117 T143E89-V145 HydrophobicContact CG-CB 4.17Å; E89-V145 HydrophobicContact CG-CG1 4.19Å; L92-V145 HydrophobicContact CB-CG2 3.89Å; L92-V145 HydrophobicContact CD1-CG1 3.62Å; L92-V145 HydrophobicContact CD1-CG2 4.34Å; C115-V145 HydrophobicContact CB-CG1 4.37Å; V116-V145 CarbonylContact O-C 3.57Å; V116-V145 WeakPolarHBondContact O-CA 3.44Å; V117-V145 HydrophobicContact CG2-CG2 4.33Å; T143-V145 PolarHBondContact O-N 3.4Å; T143-V145 VanDerWaalsContact O-N 3.13Å
146Q93.5Very high68.1Low95 Ų9594 Ų9444%0.44449%0.487SS..EExtended strand (participates in β ladder)trans-96.1145.2175.3-63.2-63.4-1.600111.4C115 V116 Y148 V203C115-Q146 CarbonylContact C-O 3.59Å; C115-Q146 WeakPolarHBondContact CA-O 3.29Å; V116-Q146 PolarHBondContact N-O 3.23Å; V116-Q146 PolarHBondContact O-N 2.65Å; Q146-Y148 HydrophobicContact CB-CE2 3.71Å; Q146-V203 HydrophobicContact CB-CG1 4.37Å; Q146-V203 HydrophobicContact CG-CB 4.35Å; Q146-V203 HydrophobicContact CG-CG1 4.12Å
147H93.9Very high68.7Low39 Ų3992 Ų9218%0.18148%0.483CS..EExtended strand (participates in β ladder)trans-122.3115.4-176.7-62.4-101.6000110.2S88 E89 R103 T113 L114 C115S88-H147 PolarHBondContact OG-CE1 3.21Å; E89-H147 IonicContact OE1-CD2 3.61Å; E89-H147 IonicContact OE1-CE1 3.57Å; E89-H147 IonicContact OE1-NE2 2.81Å; E89-H147 PolarHBondContact OE1-NE2 3.46Å; R103-H147 PolarHBondContact NH2-ND1 3.48Å; T113-H147 HydrophobicContact CG2-CB 3.95Å; L114-H147 CarbonylContact O-C 3.47Å; L114-H147 WeakPolarHBondContact O-CA 3.36Å; C115-H147 PolarHBondContact SG-ND1 3.46Å
148Y94.2Very high69.4Low56 Ų5692.2 Ų92.222%0.2248%0.484CS..EExtended strand (participates in β ladder)trans-108.5128.2179.9-58.3-89.2000110.1T113 L114 V116 Q146 I150 L202 V203T113-Y148 CarbonylContact C-O 3.56Å; T113-Y148 WeakPolarHBondContact CA-O 3.24Å; L114-Y148 HydrophobicContact CD2-CD2 4.49Å; L114-Y148 PolarHBondContact N-O 2.79Å; L114-Y148 PolarHBondContact O-N 3.3Å; V116-Y148 HydrophobicContact CB-CE2 4.37Å; V116-Y148 HydrophobicContact CG2-CD2 4.13Å; V116-Y148 HydrophobicContact CG2-CE2 4.08Å; Q146-Y148 HydrophobicContact CB-CE2 3.71Å; Y148-I150 PolarHBondContact O-N 3.08Å; Y148-L202 HydrophobicContact CD1-CD2 3.77Å; Y148-L202 HydrophobicContact CD2-CD2 3.96Å; Y148-L202 HydrophobicContact CE1-CD2 3.67Å; Y148-L202 HydrophobicContact CE2-CD2 3.86Å; Y148-L202 HydrophobicContact CG-CD2 3.92Å; Y148-V203 WeakPolarHBondContact OH-CB 3.49Å; Y148-V203 PolarHBondContact OH-N 3.4Å
149R93.2Very high69.8Low120 Ų12092.1 Ų92.145%0.45348%0.483SS..EExtended strand (participates in β ladder)trans-73.8125.1176.2-178.1-177.4179.9-174.11.7109.5Y108 L179Y108-R149 VanDerWaalsContact CE2-CZ 3.45Å; R149-L179 WeakPolarHBondContact O-CD2 3.48Å
150I92.4Very high70.2Confident1 Ų192.4 Ų92.41%0.00549%0.488CS..EExtended strand (participates in β ladder)trans-91.5115.3167.9-59.5156.3000108I102 L112 L114 Y148 Y177 L179 L188 L191I102-I150 HydrophobicContact CD1-CD1 3.88Å; I102-I150 HydrophobicContact CG1-CD1 4.1Å; I102-I150 HydrophobicContact CG2-CD1 3.82Å; L112-I150 HydrophobicContact CB-CB 3.86Å; L112-I150 HydrophobicContact CB-CD1 3.92Å; L112-I150 HydrophobicContact CB-CG1 4.47Å; L112-I150 HydrophobicContact CB-CG2 4.35Å; L112-I150 PolarHBondContact O-N 3.28Å; L114-I150 HydrophobicContact CB-CD1 3.98Å; L114-I150 HydrophobicContact CB-CG1 4.2Å; Y148-I150 PolarHBondContact O-N 3.08Å; I150-Y177 HydrophobicContact CG2-CD1 3.95Å; I150-Y177 HydrophobicContact CG2-CG 4.48Å; I150-L179 HydrophobicContact CB-CD2 4.11Å; I150-L179 HydrophobicContact CG1-CD2 3.37Å; I150-L188 HydrophobicContact CD1-CD2 4.17Å; I150-L188 HydrophobicContact CG2-CD2 3.96Å; I150-L191 HydrophobicContact CG1-CD1 4.38Å; I150-L191 HydrophobicContact CG2-CD1 4.01Å
151V87.7Confident70.2Confident19 Ų1992.3 Ų92.312%0.11549%0.488CS..EExtended strand (participates in β ladder)trans-82.1131173176.60000108.3R153 Y177 T178 W184V151-R153 HydrophobicContact CG1-CG 3.99Å; V151-Y177 CarbonylContact O-C 3.5Å; V151-Y177 VanDerWaalsContact O-CA 3.28Å; V151-Y177 WeakPolarHBondContact O-CA 3.38Å; V151-T178 HydrophobicContact CB-CG2 3.78Å; V151-T178 HydrophobicContact CG1-CG2 4.24Å; V151-T178 PolarHBondContact N-O 2.86Å; V151-T178 PolarHBondContact O-N 2.74Å; V151-W184 HydrophobicContact CG1-CH2 4.39Å
152R84.5Confident69.8Low103 Ų10393.5 Ų93.539%0.38948%0.484SS..EExtended strand (participates in β ladder)trans-114.2125.6173.275179.3-162.3-17712.3109.2G110 I175 H176 Y177G110-R152 VanDerWaalsContact CA-CZ 3.44Å; G110-R152 VanDerWaalsContact CA-NH1 3.31Å; G110-R152 WeakPolarHBondContact O-CD 3.35Å; G110-R152 PolarHBondContact O-NE 3.22Å; G110-R152 PolarHBondContact O-NH1 3.37Å; R152-I175 HydrophobicContact CB-CG2 3.79Å; R152-I175 HydrophobicContact CG-CG2 4.49Å; R152-H176 WeakPolarHBondContact CA-O 3.42Å; R152-Y177 HydrophobicContact CB-CD1 4.05Å; R152-Y177 HydrophobicContact CB-CE1 4.09Å
153R78.7Confident68.8Low120 Ų12093.3 Ų93.345%0.45348%0.48SS..EExtended strand (participates in β ladder)trans-139.9145.3175.4-66.3-169.5-172.3155.911.5110.8V151 F155 H176 E181 W184V151-R153 HydrophobicContact CG1-CG 3.99Å; R153-F155 PolarHBondContact O-N 2.9Å; R153-H176 PolarHBondContact N-O 3.38Å; R153-H176 PolarHBondContact O-N 2.94Å; R153-E181 IonicContact CZ-OE1 2.74Å; R153-E181 IonicContact NH1-OE1 3.67Å; R153-E181 IonicContact NH2-OE1 3.86Å; R153-E181 PolarHBondContact NH2-OE1 3.39Å; R153-W184 HydrophobicContact CB-CH2 4.05Å; R153-W184 HydrophobicContact CB-CZ3 3.95Å; R153-W184 HydrophobicContact CG-CH2 4.07Å; R153-W184 HydrophobicContact CG-CZ3 4.37Å
154P71.7Confident67.2Low88 Ų8895.4 Ų95.457%0.57150%0.497SS*.EExtended strand (participates in β ladder)trans-59.8126165.1-17.830.7000109.2K156P154-K156 PolarHBondContact O-N 3.07Å
155F61.9Low64.6Low98 Ų98100.9 Ų100.943%0.4352%0.521SS..  trans-73.8120178.2-173.6-95.6000109.9R153 A157 K174 H176R153-F155 PolarHBondContact O-N 2.9Å; F155-A157 HydrophobicContact CD1-CB 4.48Å; F155-A157 HydrophobicContact CE1-CB 4.07Å; F155-K174 PolarHBondContact N-O 2.78Å; F155-K174 VanDerWaalsContact N-O 3.16Å; F155-H176 HydrophobicContact CB-CB 4.32Å; F155-H176 VanDerWaalsContact CB-CE1 3.41Å; F155-H176 WeakPolarHBondContact CB-CE1 3.38Å; F155-H176 WeakPolarHBondContact CB-ND1 3.33Å; F155-H176 AromaticContact CD2-CD2 3.95Å; F155-H176 AromaticContact CG-CE1 3.82Å; F155-H176 AromaticContact CG-ND1 3.95Å; F155-H176 AromaticContact CG-NE2 4Å
156K56Low62Low173 Ų173110.8 Ų110.875%0.75256%0.559SS**  trans-96.5108.3167.3-71.8-175.5-179.8-179.40107.1P154 T158P154-K156 PolarHBondContact O-N 3.07Å; K156-T158 PolarHBondContact O-N 2.91Å; K156-T158 VanDerWaalsContact O-N 3.15Å
157A50.3Low59.2Low79 Ų79111.4 Ų111.465%0.65357%0.574SS**  trans-61.8116.7167.900000108.4F155F155-A157 HydrophobicContact CD1-CB 4.48Å; F155-A157 HydrophobicContact CE1-CB 4.07Å
158T45.4Very low56.5Low127 Ų127115.8 Ų115.878%0.77960%0.604SS**  trans-69.3125.5165.327.40000108K156 S160K156-T158 PolarHBondContact O-N 2.91Å; K156-T158 VanDerWaalsContact O-N 3.15Å; T158-S160 PolarHBondContact O-N 2.79Å; T158-S160 VanDerWaalsContact O-N 3.12Å
159P39.8Very low53.7Low125 Ų125118.2 Ų118.281%0.81263%0.627SS**  trans-69.7111.9173.43.77.8000108.5N161P159-N161 PolarHBondContact O-N 2.89Å
160S38.8Very low51Low108 Ų108120.9 Ų120.976%0.75565%0.649SS**  trans-77.1117166.9540000109.6T158T158-S160 PolarHBondContact O-N 2.79Å; T158-S160 VanDerWaalsContact O-N 3.12Å
161N38.9Very low48.5Very low141 Ų141126.2 Ų126.275%0.75468%0.676SS**SBendtrans68.8114.5161.2-70.7-18.5000120.3P159P159-N161 PolarHBondContact O-N 2.89Å
162Q37.8Very low46.2Very low162 Ų162129.7 Ų129.776%0.75770%0.7SS**  trans75.9112.9136.7-62-178.52800119.5
163H37Very low44.7Very low181 Ų181126.8 Ų126.884%0.83870%0.696SS**  trans57.887.7150.8-64.7-70.5000119.1
164S36.3Very low44Very low106 Ų106125.4 Ų125.474%0.74169%0.693SS**  -166.8112.3128.864.30000109.9
165E33.9Very low44.3Very low172 Ų172122.6 Ų122.680%0.80467%0.673SS**  trans-61.2146161.7-73.7173.8142.200109.2
166Y36Very low45.4Very low213 Ų213119.3 Ų119.384%0.83566%0.659SS**  trans77.764.8178.7-50.4-80.3000117
167S35.6Very low47.1Very low108 Ų108111.4 Ų111.476%0.75562%0.624SS**  trans-155120.5143.9-81.20000109.6
168T37Very low49Very low131 Ų131107.6 Ų107.680%0.80459%0.593SS**  trans-59.4128.5174.634.60000109.4L170T168-L170 PolarHBondContact O-N 2.77Å
169P35.6Very low51.3Low108 Ų108103.1 Ų103.170%0.70156%0.564SS**  trans-66.6124.8179.61.98.5000108.5I171P169-I171 PolarHBondContact O-N 2.85Å
170L36.6Very low53.6Low176 Ų176100.4 Ų100.492%0.92154%0.543SS*.  trans-59.9100.8165-85.1114.9000108.2T168 C172T168-L170 PolarHBondContact O-N 2.77Å; L170-C172 VanDerWaalsContact C-N 3.34Å; L170-C172 PolarHBondContact O-N 3.21Å
171I39.2Very low55.8Low112 Ų112100.3 Ų100.357%0.57453%0.53SS*.  trans-67.694.7172.6-60.8170.4000107.3P169 S173P169-I171 PolarHBondContact O-N 2.85Å; I171-S173 PolarHBondContact O-N 3.36Å; I171-S173 VanDerWaalsContact O-N 3.1Å
172C39Very low58.1Low92 Ų9298.7 Ų98.762%0.62253%0.526SS*.  trans-63.8107.8166.7-1720000108L170 K174L170-C172 VanDerWaalsContact C-N 3.34Å; L170-C172 PolarHBondContact O-N 3.21Å; C172-K174 PolarHBondContact O-N 3.48Å
173S53Low60.6Low43 Ų4394 Ų9430%0.30151%0.506SS..  trans-76.721.5-176.449.80000114I171 I175I171-S173 PolarHBondContact O-N 3.36Å; I171-S173 VanDerWaalsContact O-N 3.1Å; S173-I175 PolarHBondContact O-N 2.76Å
174K65.5Low63.2Low91 Ų9189.4 Ų89.440%0.39648%0.481SS..  trans-71.3118.6-178.3-160.6-179-177.3-166.70109.6F155 C172 H176 S186F155-K174 PolarHBondContact N-O 2.78Å; F155-K174 VanDerWaalsContact N-O 3.16Å; C172-K174 PolarHBondContact O-N 3.48Å; K174-H176 PolarHBondContact O-ND1 2.72Å; K174-S186 WeakPolarHBondContact CE-O 3.37Å; K174-S186 PolarHBondContact NZ-OG 2.9Å; K174-S186 VanDerWaalsContact NZ-OG 3.09Å
175I77.3Confident65.8Low28 Ų2885.2 Ų85.214%0.14445%0.45CS..EExtended strand (participates in β ladder)trans-67.1132.1174.9-60.8174.7000108.3R152 S173 Y177R152-I175 HydrophobicContact CB-CG2 3.79Å; R152-I175 HydrophobicContact CG-CG2 4.49Å; S173-I175 PolarHBondContact O-N 2.76Å; I175-Y177 HydrophobicContact CG2-CE1 4.28Å
176H85.6Confident68.2Low30 Ų3078.1 Ų78.114%0.13942%0.419CS..EExtended strand (participates in β ladder)trans-113.1155.7170.8-71.655.5000110.2R152 R153 F155 K174 W184 F185R152-H176 WeakPolarHBondContact CA-O 3.42Å; R153-H176 PolarHBondContact N-O 3.38Å; R153-H176 PolarHBondContact O-N 2.94Å; F155-H176 HydrophobicContact CB-CB 4.32Å; F155-H176 VanDerWaalsContact CB-CE1 3.41Å; F155-H176 WeakPolarHBondContact CB-CE1 3.38Å; F155-H176 WeakPolarHBondContact CB-ND1 3.33Å; F155-H176 AromaticContact CD2-CD2 3.95Å; F155-H176 AromaticContact CG-CE1 3.82Å; F155-H176 AromaticContact CG-ND1 3.95Å; F155-H176 AromaticContact CG-NE2 4Å; K174-H176 PolarHBondContact O-ND1 2.72Å; H176-W184 HydrophobicContact CB-CE3 3.82Å; H176-F185 CarbonylContact C-O 3.58Å; H176-F185 WeakPolarHBondContact CA-O 3.46Å; H176-F185 WeakPolarHBondContact CB-O 3.41Å
177Y89.9Confident70.5Confident6 Ų668.4 Ų68.42%0.02438%0.382CS..EExtended strand (participates in β ladder)trans-118.9145.8-173.5-55.4-86.5000110.6L112 I150 V151 R152 I175 W184 F185 L188L112-Y177 HydrophobicContact CD1-CD1 4.46Å; L112-Y177 HydrophobicContact CD1-CE1 4.06Å; I150-Y177 HydrophobicContact CG2-CD1 3.95Å; I150-Y177 HydrophobicContact CG2-CG 4.48Å; V151-Y177 CarbonylContact O-C 3.5Å; V151-Y177 VanDerWaalsContact O-CA 3.28Å; V151-Y177 WeakPolarHBondContact O-CA 3.38Å; R152-Y177 HydrophobicContact CB-CD1 4.05Å; R152-Y177 HydrophobicContact CB-CE1 4.09Å; I175-Y177 HydrophobicContact CG2-CE1 4.28Å; Y177-W184 CarbonylContact O-C 3.55Å; Y177-W184 WeakPolarHBondContact O-CA 3.36Å; Y177-F185 PolarHBondContact N-O 3.48Å; Y177-F185 WeakPolarHBondContact O-CD2 3.28Å; Y177-F185 PolarHBondContact O-N 3.45Å; Y177-L188 HydrophobicContact CD1-CD2 3.39Å; Y177-L188 HydrophobicContact CD1-CG 3.96Å; Y177-L188 HydrophobicContact CD2-CD2 4.23Å; Y177-L188 HydrophobicContact CD2-CG 4.35Å; Y177-L188 HydrophobicContact CE1-CD1 4.48Å; Y177-L188 HydrophobicContact CE1-CD2 3.77Å; Y177-L188 HydrophobicContact CE1-CG 3.84Å; Y177-L188 HydrophobicContact CE2-CG 4.26Å; Y177-L188 HydrophobicContact CG-CD2 3.63Å; Y177-L188 HydrophobicContact CG-CG 4.2Å
178T91.7Very high73.1Confident0 Ų063.3 Ų63.30%035%0.346CS..EExtended strand (participates in β ladder)trans-153.4153.5174.8-1770000110.5V151 D180 E181 D183 W184V151-T178 HydrophobicContact CB-CG2 3.78Å; V151-T178 HydrophobicContact CG1-CG2 4.24Å; V151-T178 PolarHBondContact N-O 2.86Å; V151-T178 PolarHBondContact O-N 2.74Å; T178-D180 PolarHBondContact OG1-N 2.83Å; T178-D180 PolarHBondContact OG1-OD1 3.25Å; T178-E181 HydrophobicContact CG2-CG 4.45Å; T178-E181 WeakPolarHBondContact OG1-CA 3.23Å; T178-E181 PolarHBondContact OG1-N 2.77Å; T178-D183 WeakPolarHBondContact CB-O 3.38Å; T178-D183 PolarHBondContact OG1-O 2.97Å; T178-W184 HydrophobicContact CG2-CD2 4Å; T178-W184 HydrophobicContact CG2-CE3 3.85Å; T178-W184 HydrophobicContact CG2-CH2 3.52Å; T178-W184 HydrophobicContact CG2-CZ2 3.66Å; T178-W184 HydrophobicContact CG2-CZ3 3.62Å
179L92.1Very high75.5Confident33 Ų3360.1 Ų60.117%0.17332%0.324CS..SBendtrans-101.3-23.9168.9-61.1-174.7000112.9L114 R149 I150 L191 Y195 L202L114-L179 HydrophobicContact CD2-CD1 3.82Å; R149-L179 WeakPolarHBondContact O-CD2 3.48Å; I150-L179 HydrophobicContact CB-CD2 4.11Å; I150-L179 HydrophobicContact CG1-CD2 3.37Å; L179-L191 HydrophobicContact CD1-CD2 4.48Å; L179-L191 HydrophobicContact CD2-CD1 4.36Å; L179-L191 HydrophobicContact CG-CD1 4.27Å; L179-L191 HydrophobicContact CG-CD2 4.48Å; L179-Y195 HydrophobicContact CB-CE2 4.21Å; L179-Y195 HydrophobicContact CD1-CD1 4.45Å; L179-Y195 HydrophobicContact CD1-CD2 3.68Å; L179-Y195 HydrophobicContact CD1-CE1 4.13Å; L179-Y195 HydrophobicContact CD1-CE2 3.31Å; L179-Y195 HydrophobicContact CD1-CG 4.26Å; L179-Y195 HydrophobicContact CG-CD2 4.37Å; L179-Y195 HydrophobicContact CG-CE2 3.62Å; L179-L202 HydrophobicContact CD1-CD2 3.79Å
180D88.3Confident78.1Confident67 Ų6758.9 Ų58.936%0.35831%0.309SS..SBendtrans-128.71.7-167.753.339.5000114.3T178 T182 D183 Y195T178-D180 PolarHBondContact OG1-N 2.83Å; T178-D180 PolarHBondContact OG1-OD1 3.25Å; D180-T182 PolarHBondContact O-N 3Å; D180-T182 VanDerWaalsContact O-N 3.17Å; D180-T182 WeakPolarHBondContact OD1-CA 3.23Å; D180-T182 WeakPolarHBondContact OD1-CB 3.14Å; D180-T182 PolarHBondContact OD1-N 2.83Å; D180-T182 PolarHBondContact OD1-OG1 2.93Å; D180-D183 PolarHBondContact OD1-N 3.34Å; D180-Y195 PolarHBondContact OD2-OH 3.18Å
181E85.6Confident80.7Confident107 Ų10750.5 Ų50.550%0.527%0.265SS..SBendtrans64.82.5-174.3-52.9-163.4146.900115.4R153 T178 W184R153-E181 IonicContact CZ-OE1 2.74Å; R153-E181 IonicContact NH1-OE1 3.67Å; R153-E181 IonicContact NH2-OE1 3.86Å; R153-E181 PolarHBondContact NH2-OE1 3.39Å; T178-E181 HydrophobicContact CG2-CG 4.45Å; T178-E181 WeakPolarHBondContact OG1-CA 3.23Å; T178-E181 PolarHBondContact OG1-N 2.77Å; E181-W184 PolarHBondContact O-NE1 3.24Å
182T87.6Confident83.2Confident107 Ų10745.5 Ų45.566%0.65624%0.24SC*.SBendtrans-101.7-5217761.30000112D180D180-T182 PolarHBondContact O-N 3Å; D180-T182 VanDerWaalsContact O-N 3.17Å; D180-T182 WeakPolarHBondContact OD1-CA 3.23Å; D180-T182 WeakPolarHBondContact OD1-CB 3.14Å; D180-T182 PolarHBondContact OD1-N 2.83Å; D180-T182 PolarHBondContact OD1-OG1 2.93Å
183D90.2Very high85.8Confident64 Ų6446.4 Ų46.434%0.34224%0.235SC..SBendtrans-92.4117177.7-71.6-46.8000109.4T178 D180 F185 F194T178-D183 WeakPolarHBondContact CB-O 3.38Å; T178-D183 PolarHBondContact OG1-O 2.97Å; D180-D183 PolarHBondContact OD1-N 3.34Å; D183-F185 HydrophobicContact CB-CE2 3.97Å; D183-F185 HydrophobicContact CB-CZ 3.72Å; D183-F194 HydrophobicContact CB-CE1 4.47Å; D183-F194 HydrophobicContact CB-CZ 4.47Å; D183-F194 VanDerWaalsContact OD2-CZ 3.32Å; D183-F194 WeakPolarHBondContact OD2-CZ 3.32Å
184W91.5Very high87.7Confident84 Ų8446.5 Ų46.532%0.31823%0.23SC..  trans-112.8127.4-178.7-70.984.4000111.2V151 R153 H176 Y177 T178 E181V151-W184 HydrophobicContact CG1-CH2 4.39Å; R153-W184 HydrophobicContact CB-CH2 4.05Å; R153-W184 HydrophobicContact CB-CZ3 3.95Å; R153-W184 HydrophobicContact CG-CH2 4.07Å; R153-W184 HydrophobicContact CG-CZ3 4.37Å; H176-W184 HydrophobicContact CB-CE3 3.82Å; Y177-W184 CarbonylContact O-C 3.55Å; Y177-W184 WeakPolarHBondContact O-CA 3.36Å; T178-W184 HydrophobicContact CG2-CD2 4Å; T178-W184 HydrophobicContact CG2-CE3 3.85Å; T178-W184 HydrophobicContact CG2-CH2 3.52Å; T178-W184 HydrophobicContact CG2-CZ2 3.66Å; T178-W184 HydrophobicContact CG2-CZ3 3.62Å; E181-W184 PolarHBondContact O-NE1 3.24Å
185F90.2Very high89.1Confident18 Ų1842.3 Ų42.38%0.07921%0.212CC..BIsolated β-bridgetrans-112.1140.4-176.1-52.9-77.6000110.6H176 Y177 D183 S187 E190 L191 F194 Y195H176-F185 CarbonylContact C-O 3.58Å; H176-F185 WeakPolarHBondContact CA-O 3.46Å; H176-F185 WeakPolarHBondContact CB-O 3.41Å; Y177-F185 PolarHBondContact N-O 3.48Å; Y177-F185 WeakPolarHBondContact O-CD2 3.28Å; Y177-F185 PolarHBondContact O-N 3.45Å; D183-F185 HydrophobicContact CB-CE2 3.97Å; D183-F185 HydrophobicContact CB-CZ 3.72Å; F185-S187 VanDerWaalsContact C-N 3.26Å; F185-S187 WeakPolarHBondContact CB-O 3.27Å; F185-S187 PolarHBondContact O-N 2.74Å; F185-E190 HydrophobicContact CB-CB 4.07Å; F185-E190 HydrophobicContact CD1-CB 4.15Å; F185-L191 HydrophobicContact CB-CB 4.01Å; F185-L191 HydrophobicContact CD2-CB 3.6Å; F185-L191 HydrophobicContact CD2-CD1 3.86Å; F185-L191 HydrophobicContact CD2-CG 3.72Å; F185-L191 HydrophobicContact CE2-CB 4.23Å; F185-L191 HydrophobicContact CE2-CD1 4.36Å; F185-L191 HydrophobicContact CE2-CG 4.02Å; F185-L191 HydrophobicContact CG-CB 3.76Å; F185-L191 HydrophobicContact CG-CG 4.4Å; F185-F194 HydrophobicContact CD1-CB 4.33Å; F185-F194 HydrophobicContact CE1-CB 3.42Å; F185-F194 VanDerWaalsContact CE1-CB 3.42Å; F185-F194 AromaticContact CE1-CD1 3.95Å; F185-F194 HydrophobicContact CE1-CD1 3.95Å; F185-F194 AromaticContact CE1-CD2 3.86Å; F185-F194 HydrophobicContact CE1-CD2 3.86Å; F185-F194 AromaticContact CE1-CG 3.49Å; F185-F194 HydrophobicContact CE1-CG 3.49Å; F185-F194 VanDerWaalsContact CE1-CG 3.49Å; F185-F194 HydrophobicContact CZ-CB 3.74Å; F185-F194 AromaticContact CZ-CD1 3.45Å; F185-F194 HydrophobicContact CZ-CD1 3.45Å; F185-F194 VanDerWaalsContact CZ-CD1 3.45Å; F185-F194 HydrophobicContact CZ-CD2 4.14Å; F185-F194 AromaticContact CZ-CE1 3.97Å; F185-F194 HydrophobicContact CZ-CE1 3.97Å; F185-F194 AromaticContact CZ-CG 3.52Å; F185-F194 HydrophobicContact CZ-CG 3.52Å; F185-F194 HydrophobicContact CZ-CZ 4.5Å; F185-Y195 AromaticContact CE2-CE2 3.82Å; F185-Y195 HydrophobicContact CE2-CE2 3.82Å; F185-Y195 HydrophobicContact CZ-CE2 4.13Å
186S85.2Confident89.8Confident22 Ų2243.1 Ų43.115%0.15422%0.22CC..SBendtrans-82.5-10.6-178.687.20000112.9K174 E190K174-S186 WeakPolarHBondContact CE-O 3.37Å; K174-S186 PolarHBondContact NZ-OG 2.9Å; K174-S186 VanDerWaalsContact NZ-OG 3.09Å; S186-E190 WeakPolarHBondContact CB-OE2 3.33Å; S186-E190 PolarHBondContact N-OE2 3.11Å; S186-E190 PolarHBondContact OG-OE1 3.41Å; S186-E190 VanDerWaalsContact OG-OE1 3.07Å; S186-E190 PolarHBondContact OG-OE2 3.29Å
187S84.7Confident90Very high10 Ų1046.6 Ų46.67%0.0724%0.236CC..SBendtrans-143.8157.7176.265.20000111.7E71 F185 L189 E190 L191E71-S187 WeakPolarHBondContact OE1-CB 3.41Å; E71-S187 WeakPolarHBondContact OE2-CA 3.35Å; E71-S187 WeakPolarHBondContact OE2-CB 3.3Å; F185-S187 VanDerWaalsContact C-N 3.26Å; F185-S187 WeakPolarHBondContact CB-O 3.27Å; F185-S187 PolarHBondContact O-N 2.74Å; S187-L189 PolarHBondContact O-N 2.73Å; S187-E190 PolarHBondContact O-N 3.35Å; S187-E190 VanDerWaalsContact OG-CB 3.29Å; S187-E190 WeakPolarHBondContact OG-CB 3.46Å; S187-E190 WeakPolarHBondContact OG-CG 3.41Å; S187-E190 PolarHBondContact OG-N 3.23Å; S187-L191 PolarHBondContact O-N 2.92Å
188L88.5Confident89.9Confident0 Ų050.8 Ų50.80%026%0.264CS..Hα-helixtrans-67.9-28.4169-74.7-176.2000112.1L73 W78 I102 L112 I150 Y177 L191 V192L73-L188 HydrophobicContact CD1-CD1 3.58Å; L73-L188 HydrophobicContact CD2-CB 4.21Å; L73-L188 HydrophobicContact CD2-CD1 3.41Å; L73-L188 VanDerWaalsContact CD2-CD1 3.41Å; L73-L188 HydrophobicContact CD2-CG 4.08Å; L73-L188 HydrophobicContact CG-CD1 4.19Å; W78-L188 HydrophobicContact CH2-CB 3.76Å; W78-L188 HydrophobicContact CZ3-CB 4.17Å; W78-L188 HydrophobicContact CZ3-CD1 4.33Å; I102-L188 HydrophobicContact CG2-CD1 4.44Å; L112-L188 HydrophobicContact CD1-CD1 3.47Å; L112-L188 VanDerWaalsContact CD1-CD1 3.47Å; L112-L188 HydrophobicContact CD1-CD2 4.01Å; L112-L188 HydrophobicContact CD1-CG 4.21Å; I150-L188 HydrophobicContact CD1-CD2 4.17Å; I150-L188 HydrophobicContact CG2-CD2 3.96Å; Y177-L188 HydrophobicContact CD1-CD2 3.39Å; Y177-L188 HydrophobicContact CD1-CG 3.96Å; Y177-L188 HydrophobicContact CD2-CD2 4.23Å; Y177-L188 HydrophobicContact CD2-CG 4.35Å; Y177-L188 HydrophobicContact CE1-CD1 4.48Å; Y177-L188 HydrophobicContact CE1-CD2 3.77Å; Y177-L188 HydrophobicContact CE1-CG 3.84Å; Y177-L188 HydrophobicContact CE2-CG 4.26Å; Y177-L188 HydrophobicContact CG-CD2 3.63Å; Y177-L188 HydrophobicContact CG-CG 4.2Å; L188-L191 HydrophobicContact CD2-CD1 4.44Å; L188-L191 WeakPolarHBondContact O-CB 3.37Å; L188-L191 PolarHBondContact O-N 3.3Å; L188-V192 WeakPolarHBondContact O-CG2 3.21Å; L188-V192 PolarHBondContact O-N 2.98Å
189L88.1Confident89.3Confident65 Ų6560.9 Ų60.934%0.3431%0.308SS..Hα-helixtrans-63.6-44.6176.7-179.563.9000110.9W78 S187 L191 V192 Q193W78-L189 HydrophobicContact CZ2-CD1 4.26Å; S187-L189 PolarHBondContact O-N 2.73Å; L189-L191 VanDerWaalsContact C-N 3.34Å; L189-V192 PolarHBondContact O-N 2.96Å; L189-Q193 HydrophobicContact CD1-CG 4.45Å; L189-Q193 HydrophobicContact CG-CG 4.5Å; L189-Q193 WeakPolarHBondContact O-CB 3.16Å; L189-Q193 VanDerWaalsContact O-CG 3.25Å; L189-Q193 WeakPolarHBondContact O-CG 3.39Å; L189-Q193 PolarHBondContact O-N 3.24Å
190E89.8Confident89.1Confident81 Ų8164.3 Ų64.338%0.37932%0.319SS..Hα-helixtrans-60.6-43.2174.2-79.3165.6-159.800111.4F185 S186 S187 V192 Q193 F194F185-E190 HydrophobicContact CB-CB 4.07Å; F185-E190 HydrophobicContact CD1-CB 4.15Å; S186-E190 WeakPolarHBondContact CB-OE2 3.33Å; S186-E190 PolarHBondContact N-OE2 3.11Å; S186-E190 PolarHBondContact OG-OE1 3.41Å; S186-E190 VanDerWaalsContact OG-OE1 3.07Å; S186-E190 PolarHBondContact OG-OE2 3.29Å; S187-E190 PolarHBondContact O-N 3.35Å; S187-E190 VanDerWaalsContact OG-CB 3.29Å; S187-E190 WeakPolarHBondContact OG-CB 3.46Å; S187-E190 WeakPolarHBondContact OG-CG 3.41Å; S187-E190 PolarHBondContact OG-N 3.23Å; E190-V192 PolarHBondContact O-N 3.17Å; E190-Q193 PolarHBondContact O-N 2.74Å; E190-F194 WeakPolarHBondContact O-CB 3.36Å; E190-F194 PolarHBondContact O-N 2.79Å
191L92.8Very high88.9Confident0 Ų064.7 Ų64.70%034%0.339CS..Hα-helixtrans-57.5-50.1174.4-176.1155.7000110.8I150 L179 F185 S187 L188 L189 Q193 F194 Y195I150-L191 HydrophobicContact CG1-CD1 4.38Å; I150-L191 HydrophobicContact CG2-CD1 4.01Å; L179-L191 HydrophobicContact CD1-CD2 4.48Å; L179-L191 HydrophobicContact CD2-CD1 4.36Å; L179-L191 HydrophobicContact CG-CD1 4.27Å; L179-L191 HydrophobicContact CG-CD2 4.48Å; F185-L191 HydrophobicContact CB-CB 4.01Å; F185-L191 HydrophobicContact CD2-CB 3.6Å; F185-L191 HydrophobicContact CD2-CD1 3.86Å; F185-L191 HydrophobicContact CD2-CG 3.72Å; F185-L191 HydrophobicContact CE2-CB 4.23Å; F185-L191 HydrophobicContact CE2-CD1 4.36Å; F185-L191 HydrophobicContact CE2-CG 4.02Å; F185-L191 HydrophobicContact CG-CB 3.76Å; F185-L191 HydrophobicContact CG-CG 4.4Å; S187-L191 PolarHBondContact O-N 2.92Å; L188-L191 HydrophobicContact CD2-CD1 4.44Å; L188-L191 WeakPolarHBondContact O-CB 3.37Å; L188-L191 PolarHBondContact O-N 3.3Å; L189-L191 VanDerWaalsContact C-N 3.34Å; L191-Q193 PolarHBondContact O-N 3.35Å; L191-F194 PolarHBondContact O-N 3.4Å; L191-Y195 HydrophobicContact CD2-CD2 3.8Å; L191-Y195 HydrophobicContact CD2-CE2 4.14Å; L191-Y195 HydrophobicContact CG-CD2 3.95Å; L191-Y195 HydrophobicContact CG-CE2 3.92Å; L191-Y195 VanDerWaalsContact O-CD2 3.22Å; L191-Y195 WeakPolarHBondContact O-CD2 3.46Å; L191-Y195 PolarHBondContact O-N 3.25Å; L191-Y195 VanDerWaalsContact O-N 3.1Å
192V91.7Very high89.1Confident8 Ų860.9 Ų60.95%0.04832%0.321CS..Hα-helixtrans-62-43.8179.1169.50000111W78 F100 I102 L188 L189 E190 F194 Y195 S196 L206W78-V192 HydrophobicContact CD2-CG2 4.36Å; W78-V192 HydrophobicContact CE3-CG2 4.38Å; W78-V192 HydrophobicContact CH2-CG2 4.03Å; W78-V192 HydrophobicContact CZ2-CB 4.42Å; W78-V192 HydrophobicContact CZ2-CG2 3.98Å; W78-V192 HydrophobicContact CZ3-CG2 4.24Å; F100-V192 HydrophobicContact CE2-CG1 3.69Å; F100-V192 HydrophobicContact CE2-CG2 4.19Å; F100-V192 HydrophobicContact CZ-CG1 3.61Å; I102-V192 HydrophobicContact CD1-CG2 3.76Å; L188-V192 WeakPolarHBondContact O-CG2 3.21Å; L188-V192 PolarHBondContact O-N 2.98Å; L189-V192 PolarHBondContact O-N 2.96Å; E190-V192 PolarHBondContact O-N 3.17Å; V192-F194 PolarHBondContact O-N 2.94Å; V192-Y195 PolarHBondContact O-N 2.99Å; V192-S196 WeakPolarHBondContact O-CB 3.35Å; V192-S196 PolarHBondContact O-N 3.3Å; V192-S196 PolarHBondContact O-OG 2.99Å; V192-L206 HydrophobicContact CG1-CD1 4.26Å
193Q92Very high89.2Confident111 Ų11158.7 Ų58.752%0.51931%0.308SS..Hα-helixtrans-61.2-43.6177.9-75.9171.5-18.900111.8L189 E190 L191 S196L189-Q193 HydrophobicContact CD1-CG 4.45Å; L189-Q193 HydrophobicContact CG-CG 4.5Å; L189-Q193 WeakPolarHBondContact O-CB 3.16Å; L189-Q193 VanDerWaalsContact O-CG 3.25Å; L189-Q193 WeakPolarHBondContact O-CG 3.39Å; L189-Q193 PolarHBondContact O-N 3.24Å; E190-Q193 PolarHBondContact O-N 2.74Å; L191-Q193 PolarHBondContact O-N 3.35Å; Q193-S196 WeakPolarHBondContact O-CB 3.38Å; Q193-S196 PolarHBondContact O-N 2.86Å
194F93.5Very high89.2Confident44 Ų4456.8 Ų56.819%0.19330%0.3CS..Hα-helixtrans-61.7-48.9178.2-178.9-94.6000112.2D183 F185 E190 L191 V192 S196 E197 R200D183-F194 HydrophobicContact CB-CE1 4.47Å; D183-F194 HydrophobicContact CB-CZ 4.47Å; D183-F194 VanDerWaalsContact OD2-CZ 3.32Å; D183-F194 WeakPolarHBondContact OD2-CZ 3.32Å; F185-F194 HydrophobicContact CD1-CB 4.33Å; F185-F194 HydrophobicContact CE1-CB 3.42Å; F185-F194 VanDerWaalsContact CE1-CB 3.42Å; F185-F194 AromaticContact CE1-CD1 3.95Å; F185-F194 HydrophobicContact CE1-CD1 3.95Å; F185-F194 AromaticContact CE1-CD2 3.86Å; F185-F194 HydrophobicContact CE1-CD2 3.86Å; F185-F194 AromaticContact CE1-CG 3.49Å; F185-F194 HydrophobicContact CE1-CG 3.49Å; F185-F194 VanDerWaalsContact CE1-CG 3.49Å; F185-F194 HydrophobicContact CZ-CB 3.74Å; F185-F194 AromaticContact CZ-CD1 3.45Å; F185-F194 HydrophobicContact CZ-CD1 3.45Å; F185-F194 VanDerWaalsContact CZ-CD1 3.45Å; F185-F194 HydrophobicContact CZ-CD2 4.14Å; F185-F194 AromaticContact CZ-CE1 3.97Å; F185-F194 HydrophobicContact CZ-CE1 3.97Å; F185-F194 AromaticContact CZ-CG 3.52Å; F185-F194 HydrophobicContact CZ-CG 3.52Å; F185-F194 HydrophobicContact CZ-CZ 4.5Å; E190-F194 WeakPolarHBondContact O-CB 3.36Å; E190-F194 PolarHBondContact O-N 2.79Å; L191-F194 PolarHBondContact O-N 3.4Å; V192-F194 PolarHBondContact O-N 2.94Å; F194-S196 PolarHBondContact O-N 2.86Å; F194-E197 PolarHBondContact O-N 3.08Å; F194-R200 HydrophobicContact CE1-CB 4.17Å; F194-R200 HydrophobicContact CE1-CG 4.3Å
195Y94.6Very high89.3Confident4 Ų453.3 Ų53.32%0.01629%0.289CS..Hα-helixtrans-80.2-0.2179.3-67.3-68.9000114L179 D180 F185 L191 V192 E197 R200 L202 L206L179-Y195 HydrophobicContact CB-CE2 4.21Å; L179-Y195 HydrophobicContact CD1-CD1 4.45Å; L179-Y195 HydrophobicContact CD1-CD2 3.68Å; L179-Y195 HydrophobicContact CD1-CE1 4.13Å; L179-Y195 HydrophobicContact CD1-CE2 3.31Å; L179-Y195 HydrophobicContact CD1-CG 4.26Å; L179-Y195 HydrophobicContact CG-CD2 4.37Å; L179-Y195 HydrophobicContact CG-CE2 3.62Å; D180-Y195 PolarHBondContact OD2-OH 3.18Å; F185-Y195 AromaticContact CE2-CE2 3.82Å; F185-Y195 HydrophobicContact CE2-CE2 3.82Å; F185-Y195 HydrophobicContact CZ-CE2 4.13Å; L191-Y195 HydrophobicContact CD2-CD2 3.8Å; L191-Y195 HydrophobicContact CD2-CE2 4.14Å; L191-Y195 HydrophobicContact CG-CD2 3.95Å; L191-Y195 HydrophobicContact CG-CE2 3.92Å; L191-Y195 VanDerWaalsContact O-CD2 3.22Å; L191-Y195 WeakPolarHBondContact O-CD2 3.46Å; L191-Y195 PolarHBondContact O-N 3.25Å; L191-Y195 VanDerWaalsContact O-N 3.1Å; V192-Y195 PolarHBondContact O-N 2.99Å; Y195-E197 PolarHBondContact O-N 3.5Å; Y195-R200 HydrophobicContact CD1-CB 3.81Å; Y195-R200 VanDerWaalsContact CD1-O 3.29Å; Y195-R200 WeakPolarHBondContact CD1-O 3.41Å; Y195-R200 HydrophobicContact CE1-CB 4.25Å; Y195-R200 WeakPolarHBondContact CE1-O 3.46Å; Y195-L202 HydrophobicContact CD1-CD1 3.92Å; Y195-L202 HydrophobicContact CD1-CD2 4.33Å; Y195-L202 HydrophobicContact CD1-CG 3.65Å; Y195-L202 HydrophobicContact CE1-CG 4.28Å; Y195-L202 HydrophobicContact CG-CD1 3.84Å; Y195-L202 HydrophobicContact CG-CG 4.11Å; Y195-L206 WeakPolarHBondContact O-CG 3.36Å; Y195-L206 PolarHBondContact O-N 3.14Å
196S92.7Very high89.5Confident45 Ų4552.7 Ų52.732%0.31529%0.286SS..THydrogen-bonded Turntrans-73.9-14.1167.7-59.60000112.1V192 Q193 F194 L206V192-S196 WeakPolarHBondContact O-CB 3.35Å; V192-S196 PolarHBondContact O-N 3.3Å; V192-S196 PolarHBondContact O-OG 2.99Å; Q193-S196 WeakPolarHBondContact O-CB 3.38Å; Q193-S196 PolarHBondContact O-N 2.86Å; F194-S196 PolarHBondContact O-N 2.86Å; S196-L206 WeakPolarHBondContact CA-O 3.29Å; S196-L206 WeakPolarHBondContact CB-O 3.46Å; S196-L206 PolarHBondContact OG-O 3.45Å
197E90.3Very high89.9Confident102 Ų10256.3 Ų56.348%0.47730%0.303SS..SBendtrans-84.9141.9171.1-65.1-174.2174.700111.6F194 Y195 R200F194-E197 PolarHBondContact O-N 3.08Å; Y195-E197 PolarHBondContact O-N 3.5Å; E197-R200 HydrophobicContact CB-CG 4.16Å; E197-R200 WeakPolarHBondContact O-CG 3.45Å; E197-R200 IonicContact OE2-CZ 3.44Å; E197-R200 IonicContact OE2-NE 3.33Å; E197-R200 PolarHBondContact OE2-NE 3.44Å; E197-R200 IonicContact OE2-NH2 2.72Å; E197-R200 PolarHBondContact OE2-NH2 2.91Å
198P86.6Confident90.2Very high95 Ų9558.3 Ų58.362%0.61731%0.311SS*.THydrogen-bonded Turntrans-60.7158.6174.6-22.232.8000113.6R200 A205P198-R200 VanDerWaalsContact C-N 3.32Å; P198-R200 PolarHBondContact O-N 3.41Å; P198-A205 HydrophobicContact CG-CB 4.29Å
199K80.3Confident90.3Very high212 Ų21261.1 Ų61.192%0.92233%0.33SS*.THydrogen-bonded Turntrans6228.5171.7-55.8-178.6178.91790115.5
200R87Confident90.5Very high104 Ų10459 Ų5939%0.39232%0.32SS..SBendtrans-98.837.5174.7-59.7-70.6-172.6169.1-0.1112.7F194 Y195 E197 P198 L202F194-R200 HydrophobicContact CE1-CB 4.17Å; F194-R200 HydrophobicContact CE1-CG 4.3Å; Y195-R200 HydrophobicContact CD1-CB 3.81Å; Y195-R200 VanDerWaalsContact CD1-O 3.29Å; Y195-R200 WeakPolarHBondContact CD1-O 3.41Å; Y195-R200 HydrophobicContact CE1-CB 4.25Å; Y195-R200 WeakPolarHBondContact CE1-O 3.46Å; E197-R200 HydrophobicContact CB-CG 4.16Å; E197-R200 WeakPolarHBondContact O-CG 3.45Å; E197-R200 IonicContact OE2-CZ 3.44Å; E197-R200 IonicContact OE2-NE 3.33Å; E197-R200 PolarHBondContact OE2-NE 3.44Å; E197-R200 IonicContact OE2-NH2 2.72Å; E197-R200 PolarHBondContact OE2-NH2 2.91Å; P198-R200 VanDerWaalsContact C-N 3.32Å; P198-R200 PolarHBondContact O-N 3.41Å; R200-L202 VanDerWaalsContact C-N 3.28Å; R200-L202 PolarHBondContact O-N 2.93Å; R200-L202 VanDerWaalsContact O-N 3.15Å
201G84Confident90.4Very high75 Ų7557.8 Ų57.877%0.77332%0.319SS*.SBendtrans77.9-10.3176.400000117.5
202L90Very high90.1Very high27 Ų2759 Ų5914%0.14133%0.325CS..SBendtrans-80.9161168.9-62.7-169.1000112.5L114 Y148 L179 Y195 R200 C204 L206L114-L202 HydrophobicContact CD2-CD1 3.94Å; Y148-L202 HydrophobicContact CD1-CD2 3.77Å; Y148-L202 HydrophobicContact CD2-CD2 3.96Å; Y148-L202 HydrophobicContact CE1-CD2 3.67Å; Y148-L202 HydrophobicContact CE2-CD2 3.86Å; Y148-L202 HydrophobicContact CG-CD2 3.92Å; L179-L202 HydrophobicContact CD1-CD2 3.79Å; Y195-L202 HydrophobicContact CD1-CD1 3.92Å; Y195-L202 HydrophobicContact CD1-CD2 4.33Å; Y195-L202 HydrophobicContact CD1-CG 3.65Å; Y195-L202 HydrophobicContact CE1-CG 4.28Å; Y195-L202 HydrophobicContact CG-CD1 3.84Å; Y195-L202 HydrophobicContact CG-CG 4.11Å; R200-L202 VanDerWaalsContact C-N 3.28Å; R200-L202 PolarHBondContact O-N 2.93Å; R200-L202 VanDerWaalsContact O-N 3.15Å; L202-C204 WeakPolarHBondContact CB-O 3.41Å; L202-C204 PolarHBondContact O-N 2.79Å; L202-L206 HydrophobicContact CD1-CD1 4.47Å; L202-L206 HydrophobicContact CD1-CD2 3.83Å; L202-L206 HydrophobicContact CD1-CG 4.04Å
203V88.9Confident89.9Confident61 Ų6160.2 Ų60.237%0.3733%0.331SS..SBendtrans-56.4-34.6176.166.20000112.8V116 Q146 Y148V116-V203 HydrophobicContact CG1-CG1 4.34Å; Q146-V203 HydrophobicContact CB-CG1 4.37Å; Q146-V203 HydrophobicContact CG-CB 4.35Å; Q146-V203 HydrophobicContact CG-CG1 4.12Å; Y148-V203 WeakPolarHBondContact OH-CB 3.49Å; Y148-V203 PolarHBondContact OH-N 3.4Å
204C90.9Very high89.7Confident25 Ų2557 Ų5717%0.16932%0.315CS..SBendtrans-157.6168172.563.40000108.7V97 G98 V117 L202V97-C204 HydrophobicContact CG1-CB 4.14Å; G98-C204 VanDerWaalsContact CA-SG 3.59Å; V117-C204 PolarHBondContact O-SG 3.27Å; L202-C204 WeakPolarHBondContact CB-O 3.41Å; L202-C204 PolarHBondContact O-N 2.79Å
205A93.9Very high89.4Confident11 Ų1158 Ų589%0.09132%0.318CS..  trans-66.8150.2175.800000111.1G98 P198 L207G98-A205 WeakPolarHBondContact CA-O 3.07Å; P198-A205 HydrophobicContact CG-CB 4.29Å; A205-L207 HydrophobicContact CB-CD2 4.01Å; A205-L207 HydrophobicContact CB-CG 4.39Å; A205-L207 PolarHBondContact O-N 3Å
206L94.5Very high89.1Confident4 Ų463.2 Ų63.22%0.02134%0.341CS..  trans-75.1105.2172.3-56.7-176.2000109.5F100 L114 V116 V192 Y195 S196 L202F100-L206 HydrophobicContact CB-CD2 3.81Å; F100-L206 HydrophobicContact CD1-CB 3.73Å; F100-L206 HydrophobicContact CD1-CD2 4.19Å; F100-L206 HydrophobicContact CD1-CG 4.43Å; F100-L206 HydrophobicContact CD2-CD1 4.26Å; F100-L206 HydrophobicContact CD2-CD2 4.36Å; F100-L206 HydrophobicContact CE1-CB 3.73Å; F100-L206 HydrophobicContact CE2-CD1 4.33Å; F100-L206 HydrophobicContact CG-CB 4.18Å; F100-L206 HydrophobicContact CG-CD1 4.49Å; F100-L206 HydrophobicContact CG-CD2 3.87Å; F100-L206 HydrophobicContact CG-CG 4.4Å; F100-L206 HydrophobicContact CZ-CB 4.18Å; L114-L206 HydrophobicContact CD1-CD1 4.21Å; L114-L206 HydrophobicContact CD1-CD2 4.22Å; L114-L206 HydrophobicContact CD2-CD1 4.2Å; L114-L206 HydrophobicContact CD2-CD2 4.28Å; V116-L206 HydrophobicContact CB-CD2 4.43Å; V116-L206 HydrophobicContact CG1-CD2 3.97Å; V116-L206 HydrophobicContact CG2-CD2 3.54Å; V192-L206 HydrophobicContact CG1-CD1 4.26Å; Y195-L206 WeakPolarHBondContact O-CG 3.36Å; Y195-L206 PolarHBondContact O-N 3.14Å; S196-L206 WeakPolarHBondContact CA-O 3.29Å; S196-L206 WeakPolarHBondContact CB-O 3.46Å; S196-L206 PolarHBondContact OG-O 3.45Å; L202-L206 HydrophobicContact CD1-CD1 4.47Å; L202-L206 HydrophobicContact CD1-CD2 3.83Å; L202-L206 HydrophobicContact CD1-CG 4.04Å
207L92.8Very high89.1Confident99 Ų9961.7 Ų61.752%0.51833%0.328SS..  trans-108.3-42.3-172.3-61.4-179.9000112.9G98 A205G98-L207 PolarHBondContact O-N 3.07Å; A205-L207 HydrophobicContact CB-CD2 4.01Å; A205-L207 HydrophobicContact CB-CG 4.39Å; A205-L207 PolarHBondContact O-N 3Å
208H91.3Very high89.2Confident51 Ų5157.9 Ų57.924%0.23631%0.311CS..EExtended strand (participates in β ladder)trans-127.491.8-166-55.7-63.9000110.9G98 S99 F100 V210G98-H208 PolarHBondContact O-N 2.91Å; S99-H208 WeakPolarHBondContact CA-O 3.33Å; S99-H208 WeakPolarHBondContact OG-CB 3.28Å; F100-H208 PolarHBondContact N-O 3.23Å; H208-V210 PolarHBondContact O-N 3.11Å
209P91.7Very high89.3Confident60 Ų6056.8 Ų56.839%0.3931%0.305SS..EExtended strand (participates in β ladder)trans-63.6125.5178.225-32.6000110.5W78 F100 P211W78-P209 HydrophobicContact CB-CB 3.87Å; W78-P209 HydrophobicContact CG-CB 4.25Å; F100-P209 HydrophobicContact CE1-CB 3.85Å; F100-P209 HydrophobicContact CE1-CG 4.39Å; F100-P209 HydrophobicContact CE2-CB 4.34Å; F100-P209 HydrophobicContact CZ-CB 3.68Å; F100-P209 HydrophobicContact CZ-CG 4.45Å; P209-P211 WeakPolarHBondContact O-CD 3.32Å
210V90.5Very high89.8Confident21 Ų2150.7 Ų50.713%0.12728%0.28CS..PPolyproline II helixtrans-89.5116.2177.9177.80000109.5H80 L92 F100 H208H80-V210 PolarHBondContact NE2-O 3.06Å; L92-V210 HydrophobicContact CD2-CB 4.24Å; L92-V210 HydrophobicContact CD2-CG2 3.65Å; F100-V210 PolarHBondContact O-N 2.59Å; H208-V210 PolarHBondContact O-N 3.11Å
211P87.8Confident90.2Very high55 Ų5545.9 Ų45.936%0.35726%0.263SS..PPolyproline II helixtrans-73.8146.3-175.429.2-34.6000113.1C77 H80 P209 M213C77-P211 HydrophobicContact CB-CB 4.16Å; C77-P211 CarbonylContact O-C 3.52Å; C77-P211 VanDerWaalsContact O-CA 3.23Å; C77-P211 WeakPolarHBondContact O-CA 3.26Å; H80-P211 PolarHBondContact CE1-O 3.47Å; P209-P211 WeakPolarHBondContact O-CD 3.32Å; P211-M213 VanDerWaalsContact C-N 3.3Å; P211-M213 HydrophobicContact CB-SD 4.35Å; P211-M213 HydrophobicContact CG-CG 4.21Å; P211-M213 HydrophobicContact CG-SD 3.86Å; P211-M213 PolarHBondContact O-N 3.05Å
212D88.1Confident90.6Very high25 Ų2548.8 Ų48.813%0.13426%0.256CS..  trans-6987.3164.3-178.4-12.7000110.1C77 H80 Q214 R215 K216C77-D212 PolarHBondContact O-N 2.84Å; H80-D212 PolarHBondContact NE2-N 2.9Å; D212-Q214 VanDerWaalsContact C-N 3.28Å; D212-Q214 PolarHBondContact O-N 3.5Å; D212-Q214 PolarHBondContact OD1-N 3.39Å; D212-R215 HydrophobicContact CB-CB 4.11Å; D212-R215 PolarHBondContact O-N 3.37Å; D212-R215 WeakPolarHBondContact OD1-CB 3.47Å; D212-R215 PolarHBondContact OD1-N 3.34Å; D212-R215 VanDerWaalsContact OD2-CB 3.27Å; D212-R215 WeakPolarHBondContact OD2-CB 3.4Å; D212-R215 IonicContact OD2-CZ 3.77Å; D212-R215 IonicContact OD2-NE 3.64Å; D212-R215 PolarHBondContact OD2-NE 3.43Å; D212-R215 IonicContact OD2-NH2 3.37Å; D212-R215 PolarHBondContact OD2-NH2 3.08Å; D212-K216 PolarHBondContact O-N 2.9Å
213M86.6Confident90.6Very high34 Ų3455.5 Ų55.517%0.16728%0.284CS..Hα-helixtrans-65.9-28.8-178-74.1-55.7-55.100113.2P211 K216 R217 L269P211-M213 VanDerWaalsContact C-N 3.3Å; P211-M213 HydrophobicContact CB-SD 4.35Å; P211-M213 HydrophobicContact CG-CG 4.21Å; P211-M213 HydrophobicContact CG-SD 3.86Å; P211-M213 PolarHBondContact O-N 3.05Å; M213-K216 HydrophobicContact CE-CD 4.15Å; M213-K216 HydrophobicContact SD-CD 4.12Å; M213-R217 WeakPolarHBondContact O-CB 3.46Å; M213-R217 VanDerWaalsContact O-CG 3.25Å; M213-R217 WeakPolarHBondContact O-CG 3.45Å; M213-R217 PolarHBondContact O-N 3.38Å; M213-L269 HydrophobicContact CB-CD1 4.13Å
214Q87.9Confident90.8Very high42 Ų4259.3 Ų59.320%0.19630%0.296CS..Hα-helixtrans-66.4-48.7176.3176.8178.2-5.400110.4D212 K216 R217 L218 K268 L269 T272 Y294D212-Q214 VanDerWaalsContact C-N 3.28Å; D212-Q214 PolarHBondContact O-N 3.5Å; D212-Q214 PolarHBondContact OD1-N 3.39Å; Q214-K216 VanDerWaalsContact C-N 3.34Å; Q214-K216 PolarHBondContact O-N 3.39Å; Q214-R217 PolarHBondContact O-N 2.87Å; Q214-L218 HydrophobicContact CG-CD1 4Å; Q214-L218 WeakPolarHBondContact O-CB 3.43Å; Q214-L218 VanDerWaalsContact O-CG 3.31Å; Q214-L218 WeakPolarHBondContact O-CG 3.27Å; Q214-L218 PolarHBondContact O-N 3.05Å; Q214-K268 VanDerWaalsContact NE2-CB 3.25Å; Q214-L269 HydrophobicContact CB-CD1 3.89Å; Q214-T272 HydrophobicContact CG-CG2 4.23Å; Q214-Y294 PolarHBondContact NE2-OH 3.14Å
215R87.5Confident90.9Very high65 Ų6560.8 Ų60.825%0.24532%0.315CS..Hα-helixtrans-61.3-43176-175-172-50.2158.710.8111.7K74 Y79 D212 R217 L218 S219K74-R215 VanDerWaalsContact CA-NH1 3.3Å; K74-R215 PolarHBondContact O-NH1 2.99Å; Y79-R215 VanDerWaalsContact O-CZ 3.22Å; Y79-R215 PolarHBondContact O-NH1 3.17Å; Y79-R215 PolarHBondContact O-NH2 3.44Å; D212-R215 HydrophobicContact CB-CB 4.11Å; D212-R215 PolarHBondContact O-N 3.37Å; D212-R215 WeakPolarHBondContact OD1-CB 3.47Å; D212-R215 PolarHBondContact OD1-N 3.34Å; D212-R215 VanDerWaalsContact OD2-CB 3.27Å; D212-R215 WeakPolarHBondContact OD2-CB 3.4Å; D212-R215 IonicContact OD2-CZ 3.77Å; D212-R215 IonicContact OD2-NE 3.64Å; D212-R215 PolarHBondContact OD2-NE 3.43Å; D212-R215 IonicContact OD2-NH2 3.37Å; D212-R215 PolarHBondContact OD2-NH2 3.08Å; R215-R217 PolarHBondContact O-N 2.79Å; R215-L218 PolarHBondContact O-N 2.94Å; R215-S219 WeakPolarHBondContact O-CB 3.49Å; R215-S219 PolarHBondContact O-N 2.86Å
216K87.8Confident91.1Very high115 Ų11562.7 Ų62.750%0.532%0.321SS..Hα-helixtrans-57-51.2176.6-173.6179.1177.3-176.50111.2D212 M213 Q214 L218 S219 E220D212-K216 PolarHBondContact O-N 2.9Å; M213-K216 HydrophobicContact CE-CD 4.15Å; M213-K216 HydrophobicContact SD-CD 4.12Å; Q214-K216 VanDerWaalsContact C-N 3.34Å; Q214-K216 PolarHBondContact O-N 3.39Å; K216-L218 PolarHBondContact O-N 3Å; K216-S219 WeakPolarHBondContact O-CB 3.4Å; K216-S219 PolarHBondContact O-N 3.22Å; K216-E220 PolarHBondContact O-N 3.34Å
217R92Very high91.2Very high12 Ų1265.1 Ų65.15%0.04533%0.333CS..Hα-helixtrans-62.9-42.6179-71.9172179.6128.910.6112.4M213 Q214 R215 S219 E220 L221 Y273 D382 S384M213-R217 WeakPolarHBondContact O-CB 3.46Å; M213-R217 VanDerWaalsContact O-CG 3.25Å; M213-R217 WeakPolarHBondContact O-CG 3.45Å; M213-R217 PolarHBondContact O-N 3.38Å; Q214-R217 PolarHBondContact O-N 2.87Å; R215-R217 PolarHBondContact O-N 2.79Å; R217-S219 VanDerWaalsContact C-N 3.34Å; R217-S219 PolarHBondContact O-N 2.95Å; R217-E220 PolarHBondContact O-N 2.91Å; R217-L221 WeakPolarHBondContact O-CB 3.34Å; R217-L221 VanDerWaalsContact O-CG 3.26Å; R217-L221 WeakPolarHBondContact O-CG 3.49Å; R217-L221 PolarHBondContact O-N 2.88Å; R217-Y273 VanDerWaalsContact CZ-CD2 3.49Å; R217-D382 IonicContact NH2-OD2 3.9Å; R217-D382 PolarHBondContact NH2-OD2 3.42Å; R217-D382 VanDerWaalsContact NH2-OD2 3.08Å; R217-S384 PolarHBondContact NH2-OG 3.5Å
218L92.5Very high91.3Very high22 Ų2260.9 Ų60.912%0.11531%0.311CS..Hα-helixtrans-63.4-39.4176.5-73.6171.1000112.2Q214 R215 K216 L221 Q222 L227 T272 L292 Y294Q214-L218 HydrophobicContact CG-CD1 4Å; Q214-L218 WeakPolarHBondContact O-CB 3.43Å; Q214-L218 VanDerWaalsContact O-CG 3.31Å; Q214-L218 WeakPolarHBondContact O-CG 3.27Å; Q214-L218 PolarHBondContact O-N 3.05Å; R215-L218 PolarHBondContact O-N 2.94Å; K216-L218 PolarHBondContact O-N 3Å; L218-L221 PolarHBondContact O-N 3.4Å; L218-Q222 WeakPolarHBondContact O-CB 3.28Å; L218-Q222 PolarHBondContact O-N 3.19Å; L218-L227 HydrophobicContact CD2-CD2 4.09Å; L218-T272 HydrophobicContact CD1-CG2 4.34Å; L218-T272 HydrophobicContact CD2-CG2 3.66Å; L218-T272 HydrophobicContact CG-CG2 3.86Å; L218-L292 HydrophobicContact CD2-CD2 4.1Å; L218-Y294 HydrophobicContact CD1-CD1 3.86Å; L218-Y294 HydrophobicContact CD1-CD2 4.18Å; L218-Y294 HydrophobicContact CD1-CE1 3.6Å; L218-Y294 HydrophobicContact CD1-CE2 3.91Å; L218-Y294 HydrophobicContact CD1-CG 4.16Å; L218-Y294 HydrophobicContact CD2-CD1 4.01Å; L218-Y294 HydrophobicContact CD2-CD2 3.77Å; L218-Y294 HydrophobicContact CD2-CE2 4.3Å; L218-Y294 HydrophobicContact CD2-CG 3.61Å
219S89.6Confident91.4Very high72 Ų7265.3 Ų65.350%0.50333%0.33SS..Hα-helixtrans-62.7-43.1175.4-173.40000111.6R215 K216 R217 Q222 K223R215-S219 WeakPolarHBondContact O-CB 3.49Å; R215-S219 PolarHBondContact O-N 2.86Å; K216-S219 WeakPolarHBondContact O-CB 3.4Å; K216-S219 PolarHBondContact O-N 3.22Å; R217-S219 VanDerWaalsContact C-N 3.34Å; R217-S219 PolarHBondContact O-N 2.95Å; S219-Q222 PolarHBondContact O-N 3.12Å; S219-K223 VanDerWaalsContact O-CB 3.32Å; S219-K223 WeakPolarHBondContact O-CB 3.33Å; S219-K223 PolarHBondContact O-N 3.45Å
220E90.8Very high91.5Very high84 Ų8465.8 Ų65.839%0.39332%0.324SS..Hα-helixtrans-64.8-47.2175.1-69.7178.3147.200111.9K216 R217 Q222 K223 F224K216-E220 PolarHBondContact O-N 3.34Å; R217-E220 PolarHBondContact O-N 2.91Å; E220-Q222 VanDerWaalsContact C-N 3.27Å; E220-Q222 PolarHBondContact O-N 2.92Å; E220-K223 WeakPolarHBondContact O-CB 3.26Å; E220-K223 PolarHBondContact O-N 3.38Å; E220-F224 WeakPolarHBondContact O-CD2 3.25Å; E220-F224 PolarHBondContact O-N 3.49Å
221L94.4Very high91.6Very high4 Ų473.6 Ų73.62%0.02136%0.356CS..Hα-helixtrans-57.7-40.7175.5-72.2168.3000111.4R217 L218 G225 Y226 L227 A275 T279 F289 L292R217-L221 WeakPolarHBondContact O-CB 3.34Å; R217-L221 VanDerWaalsContact O-CG 3.26Å; R217-L221 WeakPolarHBondContact O-CG 3.49Å; R217-L221 PolarHBondContact O-N 2.88Å; L218-L221 PolarHBondContact O-N 3.4Å; L221-G225 PolarHBondContact O-N 2.94Å; L221-G225 VanDerWaalsContact O-N 3.17Å; L221-Y226 HydrophobicContact CD2-CD2 4.18Å; L221-Y226 HydrophobicContact CD2-CG 4.19Å; L221-Y226 PolarHBondContact O-N 3.37Å; L221-L227 HydrophobicContact CB-CD2 3.97Å; L221-L227 HydrophobicContact CB-CG 4.11Å; L221-L227 HydrophobicContact CD1-CD2 4.49Å; L221-A275 HydrophobicContact CD1-CB 4.09Å; L221-T279 HydrophobicContact CD2-CG2 3.64Å; L221-F289 HydrophobicContact CD2-CE1 4.24Å; L221-L292 HydrophobicContact CD1-CD2 3.87Å
222Q94.1Very high92Very high136 Ų13674 Ų7464%0.63635%0.353SS*.Hα-helixtrans-65.3-47.7175.7-169.2175.615.900111.5L218 S219 E220 F224 G225 L227L218-Q222 WeakPolarHBondContact O-CB 3.28Å; L218-Q222 PolarHBondContact O-N 3.19Å; S219-Q222 PolarHBondContact O-N 3.12Å; E220-Q222 VanDerWaalsContact C-N 3.27Å; E220-Q222 PolarHBondContact O-N 2.92Å; Q222-F224 PolarHBondContact O-N 2.96Å; Q222-G225 PolarHBondContact O-N 2.75Å; Q222-L227 HydrophobicContact CB-CD1 3.69Å; Q222-L227 HydrophobicContact CB-CG 4.18Å; Q222-L227 HydrophobicContact CG-CD1 4.17Å
223K90Very high92.3Very high168 Ų16873.1 Ų73.173%0.7335%0.348SS*.Hα-helixtrans-56.4-37.7179.8178.7-178.7176.2-178.50112S219 E220S219-K223 VanDerWaalsContact O-CB 3.32Å; S219-K223 WeakPolarHBondContact O-CB 3.33Å; S219-K223 PolarHBondContact O-N 3.45Å; E220-K223 WeakPolarHBondContact O-CB 3.26Å; E220-K223 PolarHBondContact O-N 3.38Å
224F92.1Very high92.8Very high140 Ų14074.5 Ų74.561%0.61437%0.365SS*.THydrogen-bonded Turntrans-93.35.1179.2-64.3-65.3000114.2E220 Q222 Y226E220-F224 WeakPolarHBondContact O-CD2 3.25Å; E220-F224 PolarHBondContact O-N 3.49Å; Q222-F224 PolarHBondContact O-N 2.96Å; F224-Y226 HydrophobicContact CB-CD2 3.64Å; F224-Y226 HydrophobicContact CB-CE2 3.62Å
225G93.7Very high93.2Very high56 Ų5675.3 Ų75.358%0.57737%0.37SS*.THydrogen-bonded Turntrans7521.9174.400000114.9L221 Q222L221-G225 PolarHBondContact O-N 2.94Å; L221-G225 VanDerWaalsContact O-N 3.17Å; Q222-G225 PolarHBondContact O-N 2.75Å
226Y97.1Very high93.6Very high52 Ų5274.2 Ų74.220%0.20438%0.379CS..  trans-84.2-14.5175.4-68.5-70.7000113.3L221 F224 T279 F289 G291 L292L221-Y226 HydrophobicContact CD2-CD2 4.18Å; L221-Y226 HydrophobicContact CD2-CG 4.19Å; L221-Y226 PolarHBondContact O-N 3.37Å; F224-Y226 HydrophobicContact CB-CD2 3.64Å; F224-Y226 HydrophobicContact CB-CE2 3.62Å; Y226-T279 HydrophobicContact CD2-CG2 3.89Å; Y226-T279 HydrophobicContact CE2-CG2 3.83Å; Y226-T279 HydrophobicContact CG-CG2 4.3Å; Y226-F289 AromaticContact CD1-CD1 3.86Å; Y226-F289 HydrophobicContact CD1-CD1 3.86Å; Y226-F289 AromaticContact CD1-CE1 3.6Å; Y226-F289 HydrophobicContact CD1-CE1 3.6Å; Y226-F289 HydrophobicContact CE1-CD1 4.05Å; Y226-F289 HydrophobicContact CE1-CE1 4.24Å; Y226-F289 AromaticContact CG-CE1 3.92Å; Y226-F289 HydrophobicContact CG-CE1 3.92Å; Y226-G291 CarbonylContact O-C 3.53Å; Y226-G291 WeakPolarHBondContact O-CA 3.22Å; Y226-L292 PolarHBondContact O-N 3.33Å
227L96.2Very high93.9Very high54 Ų5474.4 Ų74.428%0.28339%0.385SS..BIsolated β-bridgetrans-78.9121.7171.6-65.2-170000110.6L218 L221 Q222 L292L218-L227 HydrophobicContact CD2-CD2 4.09Å; L221-L227 HydrophobicContact CB-CD2 3.97Å; L221-L227 HydrophobicContact CB-CG 4.11Å; L221-L227 HydrophobicContact CD1-CD2 4.49Å; Q222-L227 HydrophobicContact CB-CD1 3.69Å; Q222-L227 HydrophobicContact CB-CG 4.18Å; Q222-L227 HydrophobicContact CG-CD1 4.17Å; L227-L292 WeakPolarHBondContact CA-O 3.26Å; L227-L292 HydrophobicContact CD2-CB 4.14Å; L227-L292 HydrophobicContact CD2-CD2 4.13Å
228I95.2Very high94Very high11 Ų1180.7 Ų80.76%0.05641%0.409CS..  trans-111.9138.8-176.7-65.5169.2000109.2E232 I233 Y252 I290 L292 V293 I303I228-E232 HydrophobicContact CG2-CB 4.06Å; I228-I233 HydrophobicContact CG2-CD1 3.98Å; I228-I233 HydrophobicContact CG2-CG1 4Å; I228-Y252 HydrophobicContact CB-CE2 4.48Å; I228-Y252 HydrophobicContact CD1-CD1 4.26Å; I228-Y252 HydrophobicContact CD1-CE1 3.67Å; I228-Y252 HydrophobicContact CD1-CE2 3.96Å; I228-Y252 VanDerWaalsContact CD1-CZ 3.49Å; I228-Y252 HydrophobicContact CG1-CE1 4.49Å; I228-Y252 HydrophobicContact CG1-CE2 4.18Å; I228-Y252 HydrophobicContact CG2-CD2 4.06Å; I228-Y252 HydrophobicContact CG2-CE2 3.48Å; I228-Y252 VanDerWaalsContact CG2-CE2 3.48Å; I228-I290 HydrophobicContact CD1-CG2 4.46Å; I228-L292 PolarHBondContact N-O 2.78Å; I228-V293 HydrophobicContact CB-CG2 4.33Å; I228-V293 HydrophobicContact CG2-CG2 4.43Å; I228-I303 HydrophobicContact CB-CD1 4.3Å; I228-I303 HydrophobicContact CD1-CD1 3.57Å; I228-I303 HydrophobicContact CG1-CD1 4.46Å
229F93.4Very high94Very high144 Ų14483.6 Ų83.663%0.63242%0.424SS*.  trans-74.4136.3174-66.7-73.6000110.5K231 E232F229-K231 HydrophobicContact CB-CG 4.04Å; F229-K231 PolarHBondContact O-N 3.06Å; F229-E232 HydrophobicContact CB-CG 4.28Å; F229-E232 WeakPolarHBondContact CB-OE1 3.43Å; F229-E232 WeakPolarHBondContact CD2-OE1 3.43Å; F229-E232 PolarHBondContact N-OE1 3.31Å; F229-E232 VanDerWaalsContact N-OE1 3.1Å; F229-E232 WeakPolarHBondContact O-CB 3.44Å; F229-E232 PolarHBondContact O-N 3.38Å
230R94Very high93.8Very high70 Ų7081.4 Ų81.426%0.26441%0.413SS..G310 helixtrans-49.7-39.4-179.1178.758.8-168.881.76113.5E232 I233 V293 E295 Y301R230-E232 PolarHBondContact O-N 2.78Å; R230-I233 PolarHBondContact NH1-O 2.81Å; R230-I233 PolarHBondContact O-N 2.89Å; R230-V293 HydrophobicContact CB-CG1 3.81Å; R230-E295 WeakPolarHBondContact CB-OE1 3.31Å; R230-Y301 PolarHBondContact NE-OH 3.27Å
231K93.3Very high93.5Very high185 Ų18586.6 Ų86.680%0.80443%0.429SS*.G310 helixtrans-64.3-17.6178.966.5-177.7178.1-177.80115.1F229 I233F229-K231 HydrophobicContact CB-CG 4.04Å; F229-K231 PolarHBondContact O-N 3.06Å; K231-I233 PolarHBondContact O-N 3.05Å
232E94.9Very high92.5Very high63 Ų6388.6 Ų88.629%0.29445%0.45SS..G310 helixtrans-80.3-6.2176.8-66178.1-100.200112.7I228 F229 R230 Y252 R253I228-E232 HydrophobicContact CG2-CB 4.06Å; F229-E232 HydrophobicContact CB-CG 4.28Å; F229-E232 WeakPolarHBondContact CB-OE1 3.43Å; F229-E232 WeakPolarHBondContact CD2-OE1 3.43Å; F229-E232 PolarHBondContact N-OE1 3.31Å; F229-E232 VanDerWaalsContact N-OE1 3.1Å; F229-E232 WeakPolarHBondContact O-CB 3.44Å; F229-E232 PolarHBondContact O-N 3.38Å; R230-E232 PolarHBondContact O-N 2.78Å; E232-Y252 HydrophobicContact CB-CD2 4.12Å; E232-Y252 HydrophobicContact CB-CE2 3.87Å; E232-R253 IonicContact OE2-NE 3.66Å; E232-R253 IonicContact OE2-NH2 3.57Å; E232-R253 PolarHBondContact OE2-NH2 3Å
233I95.1Very high91.4Very high7 Ų788.9 Ų88.94%0.03645%0.452CS..EExtended strand (participates in β ladder)trans-115.5120.2-174.3-53.1178.8000110.2I228 R230 K231 L235 A250 Y252 V259 V293 I303I228-I233 HydrophobicContact CG2-CD1 3.98Å; I228-I233 HydrophobicContact CG2-CG1 4Å; R230-I233 PolarHBondContact NH1-O 2.81Å; R230-I233 PolarHBondContact O-N 2.89Å; K231-I233 PolarHBondContact O-N 3.05Å; I233-L235 HydrophobicContact CG2-CD2 4.04Å; I233-A250 HydrophobicContact CG2-CB 3.8Å; I233-Y252 HydrophobicContact CG1-CD2 4.09Å; I233-V259 HydrophobicContact CG2-CG2 4.39Å; I233-V293 HydrophobicContact CD1-CG2 3.36Å; I233-I303 HydrophobicContact CD1-CD1 3.35Å; I233-I303 HydrophobicContact CD1-CG1 4.06Å
234A97Very high90.6Very high62 Ų6285.7 Ų85.751%0.51244%0.438SS..EExtended strand (participates in β ladder)trans-93.2105.9169.700000109.2A250 T251A234-A250 CarbonylContact O-C 3.52Å; A234-A250 VanDerWaalsContact O-CA 3.25Å; A234-A250 WeakPolarHBondContact O-CA 3.36Å; A234-A250 VanDerWaalsContact O-CB 3.29Å; A234-A250 WeakPolarHBondContact O-CB 3.39Å; A234-T251 PolarHBondContact N-O 3.36Å; A234-T251 PolarHBondContact O-N 3.01Å
235L96.3Very high90.3Very high60 Ų6079.7 Ų79.731%0.31442%0.416SS..EExtended strand (participates in β ladder)trans-69.1141.1176-59.8179.9000110.2I233 L248 A250 V259 I261 Y301I233-L235 HydrophobicContact CG2-CD2 4.04Å; L235-L248 HydrophobicContact CB-CD2 4.11Å; L235-L248 HydrophobicContact CD1-CD2 4.24Å; L235-L248 HydrophobicContact CD2-CD2 4.5Å; L235-A250 HydrophobicContact CD2-CB 4.15Å; L235-V259 HydrophobicContact CD2-CB 4.47Å; L235-V259 HydrophobicContact CD2-CG1 4.29Å; L235-V259 HydrophobicContact CD2-CG2 4.49Å; L235-I261 HydrophobicContact CD1-CD1 4.17Å; L235-Y301 HydrophobicContact CD1-CE1 4.14Å; L235-Y301 HydrophobicContact CD2-CE1 4.38Å
236G95.6Very high90.3Very high41 Ų4180.6 Ų80.642%0.42341%0.405SS..EExtended strand (participates in β ladder)trans-124.8-142.117600000111.3K249G236-K249 CarbonylContact C-O 3.58Å; G236-K249 WeakPolarHBondContact CA-O 3.4Å; G236-K249 PolarHBondContact N-O 3.48Å
237D94.4Very high90.2Very high119 Ų11980.1 Ų80.164%0.63641%0.407SS*.EExtended strand (participates in β ladder)trans-63.7141.5-172.1-53.8-47.6000113I239 L248 K249D237-I239 PolarHBondContact O-N 2.91Å; D237-L248 CarbonylContact O-C 3.51Å; D237-L248 WeakPolarHBondContact O-CA 3.17Å; D237-K249 PolarHBondContact O-N 2.87Å
238R94.2Very high90.2Very high144 Ų14478.4 Ų78.454%0.54340%0.398SS..EExtended strand (participates in β ladder)trans-72.5123.8170-179.4176.1156.3-148.4-23.7110.2G240 E246 L248R238-G240 PolarHBondContact NE-O 2.82Å; R238-E246 WeakPolarHBondContact CD-OE2 3.45Å; R238-L248 HydrophobicContact CB-CD1 4.48Å; R238-L248 HydrophobicContact CB-CG 4.28Å; R238-L248 HydrophobicContact CG-CD1 4.4Å
239I92.2Very high90.3Very high83 Ų8380.2 Ų80.243%0.42641%0.406SS..EExtended strand (participates in β ladder)trans-107.2-15.3-178.461.8176.3000113.1D237 V247 K249 A258 Y306D237-I239 PolarHBondContact O-N 2.91Å; I239-V247 HydrophobicContact CD1-CG1 3.86Å; I239-V247 HydrophobicContact CG1-CB 4.11Å; I239-V247 HydrophobicContact CG1-CG1 3.8Å; I239-V247 VanDerWaalsContact CG1-O 3.29Å; I239-V247 WeakPolarHBondContact CG1-O 3.39Å; I239-V247 PolarHBondContact N-O 3.49Å; I239-K249 HydrophobicContact CG2-CB 3.99Å; I239-A258 HydrophobicContact CD1-CB 4.41Å; I239-Y306 HydrophobicContact CD1-CD2 4.1Å; I239-Y306 HydrophobicContact CD1-CE2 3.84Å; I239-Y306 HydrophobicContact CG2-CE2 4.4Å
240G85.7Confident90.5Very high26 Ų2673.4 Ų73.427%0.26838%0.376SS..EExtended strand (participates in β ladder)trans-161.2163.4178.900000114.1R238 V247R238-G240 PolarHBondContact NE-O 2.82Å; G240-V247 PolarHBondContact N-O 2.92Å; G240-V247 PolarHBondContact O-N 2.6Å
241R84.7Confident90.7Very high194 Ų19473.1 Ų73.173%0.73238%0.382SS*.EExtended strand (participates in β ladder)trans-146.4134.3168.2176.7176.6-173.6-124.310.2109.5
242G72.3Confident90.9Very high46 Ų4665.6 Ų65.647%0.47435%0.349SS..  trans-133.4-169.6177.200000111.5F244 G245G242-F244 VanDerWaalsContact C-N 3.3Å; G242-F244 PolarHBondContact O-N 3.22Å; G242-G245 PolarHBondContact N-O 3.19Å; G242-G245 VanDerWaalsContact O-O 3.12Å
243E72.9Confident90.9Very high142 Ų14271.2 Ų71.266%0.66437%0.368SS*.SBendtrans-62.1-40.4178.3-166.7-170.116500111.9G245 K263E243-G245 VanDerWaalsContact C-N 3.35Å; E243-G245 PolarHBondContact O-N 3.19Å; E243-K263 WeakPolarHBondContact O-CE 3.34Å; E243-K263 PolarHBondContact O-NZ 3.18Å
244F73.1Confident90.9Very high100 Ų10074.4 Ų74.444%0.43940%0.402SS..SBendtrans-79-14.8-173.8-53.2-69.6000114.4G242 Y262 K263G242-F244 VanDerWaalsContact C-N 3.3Å; G242-F244 PolarHBondContact O-N 3.22Å; F244-Y262 HydrophobicContact CB-CD1 4.03Å; F244-Y262 HydrophobicContact CB-CE1 3.94Å; F244-K263 PolarHBondContact O-N 3.17Å
245G85.4Confident90.8Very high14 Ų1480.8 Ų80.814%0.14441%0.413CS..EExtended strand (participates in β ladder)trans149.4-147.5-175.400000113.1G242 E243 I261G242-G245 PolarHBondContact N-O 3.19Å; G242-G245 VanDerWaalsContact O-O 3.12Å; E243-G245 VanDerWaalsContact C-N 3.35Å; E243-G245 PolarHBondContact O-N 3.19Å; G245-I261 WeakPolarHBondContact CA-O 3.31Å
246E93.1Very high90.9Very high75 Ų7583.1 Ų83.135%0.3542%0.422SS..EExtended strand (participates in β ladder)trans-124.2154.7-178.159.1-175.1140.500111.9R238 L248 I261R238-E246 WeakPolarHBondContact CD-OE2 3.45Å; E246-L248 HydrophobicContact CB-CD1 4.05Å; E246-L248 HydrophobicContact CG-CD1 3.53Å; E246-I261 HydrophobicContact CG-CB 4.12Å; E246-I261 HydrophobicContact CG-CD1 4.37Å; E246-I261 PolarHBondContact N-O 2.81Å; E246-I261 PolarHBondContact O-N 3.07Å
247V94.7Very high91Very high43 Ų4381.3 Ų81.326%0.26140%0.403SS..EExtended strand (participates in β ladder)trans-117.7124.8176.8-170.30000108I239 G240 V259 K260I239-V247 HydrophobicContact CD1-CG1 3.86Å; I239-V247 HydrophobicContact CG1-CB 4.11Å; I239-V247 HydrophobicContact CG1-CG1 3.8Å; I239-V247 VanDerWaalsContact CG1-O 3.29Å; I239-V247 WeakPolarHBondContact CG1-O 3.39Å; I239-V247 PolarHBondContact N-O 3.49Å; G240-V247 PolarHBondContact N-O 2.92Å; G240-V247 PolarHBondContact O-N 2.6Å; V247-V259 CarbonylContact C-O 3.59Å; V247-V259 WeakPolarHBondContact CA-O 3.3Å; V247-K260 HydrophobicContact CG2-CB 4.38Å; V247-K260 HydrophobicContact CG2-CG 4.24Å
248L97Very high91.1Very high17 Ų1776.1 Ų76.19%0.08938%0.376CS..EExtended strand (participates in β ladder)trans-116150179.4-7668.6000110.1L235 D237 R238 E246 A258 V259 I261L235-L248 HydrophobicContact CB-CD2 4.11Å; L235-L248 HydrophobicContact CD1-CD2 4.24Å; L235-L248 HydrophobicContact CD2-CD2 4.5Å; D237-L248 CarbonylContact O-C 3.51Å; D237-L248 WeakPolarHBondContact O-CA 3.17Å; R238-L248 HydrophobicContact CB-CD1 4.48Å; R238-L248 HydrophobicContact CB-CG 4.28Å; R238-L248 HydrophobicContact CG-CD1 4.4Å; E246-L248 HydrophobicContact CB-CD1 4.05Å; E246-L248 HydrophobicContact CG-CD1 3.53Å; L248-A258 CarbonylContact O-C 3.47Å; L248-A258 WeakPolarHBondContact O-CA 3.3Å; L248-V259 PolarHBondContact N-O 2.95Å; L248-V259 PolarHBondContact O-N 3.4Å; L248-I261 HydrophobicContact CD1-CD1 3.75Å; L248-I261 HydrophobicContact CD1-CG1 4.32Å; L248-I261 HydrophobicContact CD2-CD1 4.08Å; L248-I261 HydrophobicContact CG-CD1 4.45Å
249K97.2Very high91.3Very high50 Ų5069.2 Ų69.222%0.21735%0.35CS..EExtended strand (participates in β ladder)trans-74.9140.1157.6-177-177.6179.1-173.80108G236 D237 I239 Y306G236-K249 CarbonylContact C-O 3.58Å; G236-K249 WeakPolarHBondContact CA-O 3.4Å; G236-K249 PolarHBondContact N-O 3.48Å; D237-K249 PolarHBondContact O-N 2.87Å; I239-K249 HydrophobicContact CG2-CB 3.99Å; K249-Y306 HydrophobicContact CB-CD2 4.47Å; K249-Y306 HydrophobicContact CB-CE2 4.19Å; K249-Y306 HydrophobicContact CD-CE1 4.19Å; K249-Y306 HydrophobicContact CD-CE2 4.25Å; K249-Y306 HydrophobicContact CG-CD2 4.21Å; K249-Y306 HydrophobicContact CG-CE2 4.07Å
250A97.7Very high91.4Very high1 Ų166.9 Ų66.91%0.00834%0.337CS..EExtended strand (participates in β ladder)trans-145171.9176.500000111.2I233 A234 L235 Q256 V257 V259I233-A250 HydrophobicContact CG2-CB 3.8Å; A234-A250 CarbonylContact O-C 3.52Å; A234-A250 VanDerWaalsContact O-CA 3.25Å; A234-A250 WeakPolarHBondContact O-CA 3.36Å; A234-A250 VanDerWaalsContact O-CB 3.29Å; A234-A250 WeakPolarHBondContact O-CB 3.39Å; L235-A250 HydrophobicContact CD2-CB 4.15Å; A250-Q256 CarbonylContact O-C 3.58Å; A250-Q256 WeakPolarHBondContact O-CA 3.39Å; A250-V257 HydrophobicContact CB-CG2 3.89Å; A250-V257 PolarHBondContact N-O 2.98Å; A250-V257 PolarHBondContact O-N 3.18Å; A250-V259 HydrophobicContact CB-CB 4.5Å; A250-V259 HydrophobicContact CB-CG2 3.47Å; A250-V259 VanDerWaalsContact CB-CG2 3.47Å
251T98Very high91.9Very high64 Ų6466.5 Ų66.539%0.39333%0.329SS..EExtended strand (participates in β ladder)trans-116.1125.9172.2-58.30000109.5A234 R255A234-T251 PolarHBondContact N-O 3.36Å; A234-T251 PolarHBondContact O-N 3.01Å; T251-R255 WeakPolarHBondContact CA-O 3.31Å
252Y97.4Very high92.3Very high26 Ų2657.8 Ų57.810%0.10230%0.296CS..EExtended strand (participates in β ladder)trans-129.9123173.8173.4-115.2000109.2I228 E232 I233 G254 R255 I290I228-Y252 HydrophobicContact CB-CE2 4.48Å; I228-Y252 HydrophobicContact CD1-CD1 4.26Å; I228-Y252 HydrophobicContact CD1-CE1 3.67Å; I228-Y252 HydrophobicContact CD1-CE2 3.96Å; I228-Y252 VanDerWaalsContact CD1-CZ 3.49Å; I228-Y252 HydrophobicContact CG1-CE1 4.49Å; I228-Y252 HydrophobicContact CG1-CE2 4.18Å; I228-Y252 HydrophobicContact CG2-CD2 4.06Å; I228-Y252 HydrophobicContact CG2-CE2 3.48Å; I228-Y252 VanDerWaalsContact CG2-CE2 3.48Å; E232-Y252 HydrophobicContact CB-CD2 4.12Å; E232-Y252 HydrophobicContact CB-CE2 3.87Å; I233-Y252 HydrophobicContact CG1-CD2 4.09Å; Y252-G254 PolarHBondContact O-N 3.43Å; Y252-R255 PolarHBondContact N-O 3.26Å; Y252-R255 PolarHBondContact O-N 3.01Å; Y252-I290 HydrophobicContact CD1-CG2 3.96Å; Y252-I290 HydrophobicContact CE1-CG2 4.08Å
253R95.2Very high93Very high182 Ų18260.8 Ų60.869%0.68730%0.296SS*.THydrogen-bonded Turntrans47.544.3-176.7-63.1-176174.9176.53.7113.5E232 R255E232-R253 IonicContact OE2-NE 3.66Å; E232-R253 IonicContact OE2-NH2 3.57Å; E232-R253 PolarHBondContact OE2-NH2 3Å; R253-R255 PolarHBondContact O-N 3.24Å
254G94.4Very high93.8Very high74 Ų7460.4 Ų60.476%0.76329%0.292SS*.THydrogen-bonded Turntrans75.1-0.4179.900000115.5Y252Y252-G254 PolarHBondContact O-N 3.43Å
255R96Very high94.3Very high196 Ų19661.9 Ų61.974%0.7431%0.31SS*.EExtended strand (participates in β ladder)trans-103.8142.5178.3-62.4-176.8178.4-179.8-1.4110.8T251 Y252 R253T251-R255 WeakPolarHBondContact CA-O 3.31Å; Y252-R255 PolarHBondContact N-O 3.26Å; Y252-R255 PolarHBondContact O-N 3.01Å; R253-R255 PolarHBondContact O-N 3.24Å
256Q97.3Very high94.3Very high109 Ų10962.4 Ų62.451%0.50931%0.312SS..EExtended strand (participates in β ladder)trans-71.6132.7170.3-67.9-176-0.200109.8A250 Y306A250-Q256 CarbonylContact O-C 3.58Å; A250-Q256 WeakPolarHBondContact O-CA 3.39Å; Q256-Y306 HydrophobicContact CB-CD1 4.09Å; Q256-Y306 HydrophobicContact CB-CG 4.46Å
257V97.9Very high93.9Very high2 Ų262.2 Ų62.21%0.01232%0.319CS..EExtended strand (participates in β ladder)trans-135.1155.1-179.2-58.40000110A250 V259 I290 I303A250-V257 HydrophobicContact CB-CG2 3.89Å; A250-V257 PolarHBondContact N-O 2.98Å; A250-V257 PolarHBondContact O-N 3.18Å; V257-V259 HydrophobicContact CG2-CG2 3.97Å; V257-I290 HydrophobicContact CB-CD1 4.18Å; V257-I290 HydrophobicContact CG1-CD1 3.47Å; V257-I290 VanDerWaalsContact CG1-CD1 3.47Å; V257-I303 HydrophobicContact CB-CG2 3.76Å; V257-I303 HydrophobicContact CG1-CG2 4.25Å; V257-I303 HydrophobicContact CG2-CG2 3.76Å
258A97.5Very high93.6Very high10 Ų1061.8 Ų61.88%0.08331%0.314CS..EExtended strand (participates in β ladder)trans-97.4139.1169.500000108.9I239 L248 I303 T304 Y306I239-A258 HydrophobicContact CD1-CB 4.41Å; L248-A258 CarbonylContact O-C 3.47Å; L248-A258 WeakPolarHBondContact O-CA 3.3Å; A258-I303 WeakPolarHBondContact O-CA 3.46Å; A258-T304 PolarHBondContact N-O 3.33Å; A258-T304 PolarHBondContact O-N 3.17Å; A258-Y306 HydrophobicContact CB-CD2 4.37Å
259V97.2Very high93.1Very high0 Ų063.4 Ų63.40%032%0.322CS..EExtended strand (participates in β ladder)trans-128.7110.4-175.2-174.30000109.1I233 L235 V247 L248 A250 V257 I261 Y301 L302 I303I233-V259 HydrophobicContact CG2-CG2 4.39Å; L235-V259 HydrophobicContact CD2-CB 4.47Å; L235-V259 HydrophobicContact CD2-CG1 4.29Å; L235-V259 HydrophobicContact CD2-CG2 4.49Å; V247-V259 CarbonylContact C-O 3.59Å; V247-V259 WeakPolarHBondContact CA-O 3.3Å; L248-V259 PolarHBondContact N-O 2.95Å; L248-V259 PolarHBondContact O-N 3.4Å; A250-V259 HydrophobicContact CB-CB 4.5Å; A250-V259 HydrophobicContact CB-CG2 3.47Å; A250-V259 VanDerWaalsContact CB-CG2 3.47Å; V257-V259 HydrophobicContact CG2-CG2 3.97Å; V259-I261 HydrophobicContact CG1-CG1 4.09Å; V259-Y301 HydrophobicContact CG1-CD1 3.61Å; V259-Y301 HydrophobicContact CG1-CG 4.23Å; V259-L302 WeakPolarHBondContact CA-O 3.42Å; V259-I303 HydrophobicContact CG2-CG1 4.39Å; V259-I303 HydrophobicContact CG2-CG2 4.42Å
260K95.7Very high92.6Very high33 Ų3363.6 Ų63.614%0.14333%0.333CS..EExtended strand (participates in β ladder)trans-88109172.8-173172.6179.3-169.20108V247 Y262 E274 Y301 L302 D373V247-K260 HydrophobicContact CG2-CB 4.38Å; V247-K260 HydrophobicContact CG2-CG 4.24Å; K260-Y262 HydrophobicContact CD-CE1 4.45Å; K260-Y262 HydrophobicContact CD-CE2 4.18Å; K260-Y262 VanDerWaalsContact CD-OH 3.29Å; K260-Y262 WeakPolarHBondContact CD-OH 3.43Å; K260-Y262 WeakPolarHBondContact CE-OH 3.45Å; K260-Y262 HydrophobicContact CG-CE2 4.05Å; K260-Y262 PolarHBondContact NZ-OH 2.98Å; K260-E274 IonicContact NZ-OE1 2.59Å; K260-Y301 WeakPolarHBondContact O-CA 3.42Å; K260-L302 HydrophobicContact CB-CB 4.45Å; K260-L302 PolarHBondContact N-O 3.17Å; K260-L302 PolarHBondContact O-N 2.83Å; K260-D373 IonicContact NZ-OD1 2.72Å; K260-D373 PolarHBondContact NZ-OD1 2.8Å
261I95.3Very high92.3Very high18 Ų1863.8 Ų63.89%0.09233%0.334CS..EExtended strand (participates in β ladder)trans-93.6110.8-179.8-50.2-178.9000107.8L235 G245 E246 L248 V259 A299 Y301L235-I261 HydrophobicContact CD1-CD1 4.17Å; G245-I261 WeakPolarHBondContact CA-O 3.31Å; E246-I261 HydrophobicContact CG-CB 4.12Å; E246-I261 HydrophobicContact CG-CD1 4.37Å; E246-I261 PolarHBondContact N-O 2.81Å; E246-I261 PolarHBondContact O-N 3.07Å; L248-I261 HydrophobicContact CD1-CD1 3.75Å; L248-I261 HydrophobicContact CD1-CG1 4.32Å; L248-I261 HydrophobicContact CD2-CD1 4.08Å; L248-I261 HydrophobicContact CG-CD1 4.45Å; V259-I261 HydrophobicContact CG1-CG1 4.09Å; I261-A299 HydrophobicContact CG2-CB 4.12Å; I261-Y301 HydrophobicContact CB-CD1 4.48Å; I261-Y301 HydrophobicContact CB-CE1 4.48Å; I261-Y301 HydrophobicContact CD1-CD1 4.02Å; I261-Y301 HydrophobicContact CD1-CE1 3.59Å; I261-Y301 HydrophobicContact CG1-CD1 3.67Å; I261-Y301 HydrophobicContact CG1-CE1 3.72Å; I261-Y301 HydrophobicContact CG2-CD1 4.34Å; I261-Y301 HydrophobicContact CG2-CE1 4.03Å
262Y93.2Very high92.1Very high11 Ų1160.7 Ų60.74%0.04332%0.315CS..EExtended strand (participates in β ladder)trans-79.4143.2177.1-71.5-85.4000111F244 K260 A266 I271 E274 A299 V300 L302F244-Y262 HydrophobicContact CB-CD1 4.03Å; F244-Y262 HydrophobicContact CB-CE1 3.94Å; K260-Y262 HydrophobicContact CD-CE1 4.45Å; K260-Y262 HydrophobicContact CD-CE2 4.18Å; K260-Y262 VanDerWaalsContact CD-OH 3.29Å; K260-Y262 WeakPolarHBondContact CD-OH 3.43Å; K260-Y262 WeakPolarHBondContact CE-OH 3.45Å; K260-Y262 HydrophobicContact CG-CE2 4.05Å; K260-Y262 PolarHBondContact NZ-OH 2.98Å; Y262-A266 HydrophobicContact CD1-CB 4.27Å; Y262-I271 VanDerWaalsContact CB-CD1 3.49Å; Y262-I271 HydrophobicContact CD1-CD1 3.72Å; Y262-I271 HydrophobicContact CD1-CG1 3.79Å; Y262-I271 HydrophobicContact CD2-CB 4.48Å; Y262-I271 HydrophobicContact CD2-CD1 3.77Å; Y262-I271 HydrophobicContact CD2-CG1 3.85Å; Y262-I271 HydrophobicContact CD2-CG2 3.74Å; Y262-I271 HydrophobicContact CE1-CD1 4.4Å; Y262-I271 HydrophobicContact CE1-CG1 3.95Å; Y262-I271 HydrophobicContact CE2-CB 4.45Å; Y262-I271 HydrophobicContact CE2-CD1 4.43Å; Y262-I271 HydrophobicContact CE2-CG1 4Å; Y262-I271 HydrophobicContact CE2-CG2 3.66Å; Y262-I271 HydrophobicContact CG-CD1 3.36Å; Y262-I271 HydrophobicContact CG-CG1 3.74Å; Y262-I271 HydrophobicContact CG-CG2 4.47Å; Y262-E274 PolarHBondContact OH-OE2 3.35Å; Y262-A299 WeakPolarHBondContact O-CB 3.25Å; Y262-V300 PolarHBondContact N-O 3.25Å; Y262-L302 HydrophobicContact CE2-CB 3.83Å
263K87.8Confident91.9Very high109 Ų10960.3 Ų60.347%0.47431%0.313SS..  trans-57.2149.7171-66.8172.1179.7163.70110.4E243 F244 T265 A266E243-K263 WeakPolarHBondContact O-CE 3.34Å; E243-K263 PolarHBondContact O-NZ 3.18Å; F244-K263 PolarHBondContact O-N 3.17Å; K263-T265 PolarHBondContact O-N 3.33Å; K263-T265 VanDerWaalsContact O-N 3.12Å; K263-A266 WeakPolarHBondContact O-CB 3.34Å; K263-A266 PolarHBondContact O-N 3.28Å
264K88.4Confident91.8Very high135 Ų13552 Ų5259%0.58728%0.282SS*.THydrogen-bonded Turntrans-57.5-28.3176.4-62-168.5179.9-147.50113.5A266 D298 A299K264-A266 VanDerWaalsContact C-N 3.32Å; K264-D298 WeakPolarHBondContact CE-OD1 3.5Å; K264-D298 IonicContact NZ-OD1 3.45Å; K264-D298 PolarHBondContact NZ-OD1 3.17Å; K264-A299 HydrophobicContact CG-CB 4.45Å
265T83.9Confident91.9Very high131 Ų13148.4 Ų48.480%0.80425%0.246SC*.THydrogen-bonded Turntrans-81.5-6177.757.10000113.9K263K263-T265 PolarHBondContact O-N 3.33Å; K263-T265 VanDerWaalsContact O-N 3.12Å
266A84.9Confident91.9Very high24 Ų2439.7 Ų39.720%0.19822%0.215CC..SBendtrans-71.1146.1179.900000111Y262 K263 K264 K268 I271Y262-A266 HydrophobicContact CD1-CB 4.27Å; K263-A266 WeakPolarHBondContact O-CB 3.34Å; K263-A266 PolarHBondContact O-N 3.28Å; K264-A266 VanDerWaalsContact C-N 3.32Å; A266-K268 PolarHBondContact O-N 3.2Å; A266-I271 HydrophobicContact CB-CD1 3.88Å
267S85.3Confident91.8Very high71 Ų7134.7 Ų34.750%0.49719%0.192SC..  trans-62.5108.3178.1174.10000111L269 A270 I271S267-L269 PolarHBondContact O-N 3.3Å; S267-A270 PolarHBondContact O-N 3.23Å; S267-A270 VanDerWaalsContact O-N 3.14Å; S267-A270 PolarHBondContact OG-N 2.62Å; S267-I271 WeakPolarHBondContact O-CG1 3.27Å; S267-I271 PolarHBondContact O-N 3.23Å; S267-I271 VanDerWaalsContact O-N 3.1Å
268K87.6Confident91.7Very high34 Ų3435 Ų3515%0.14819%0.193CC..Hα-helixtrans-63.8-30.3176.7-65.2-168.5177.2-1650112.2Q214 A266 I271 T272 Y294 E295 P296 D298 V300Q214-K268 VanDerWaalsContact NE2-CB 3.25Å; A266-K268 PolarHBondContact O-N 3.2Å; K268-I271 PolarHBondContact O-N 3.45Å; K268-T272 WeakPolarHBondContact O-CB 3.38Å; K268-T272 VanDerWaalsContact O-CG2 3.3Å; K268-T272 WeakPolarHBondContact O-CG2 3.2Å; K268-T272 PolarHBondContact O-N 2.98Å; K268-T272 PolarHBondContact O-OG1 2.81Å; K268-Y294 HydrophobicContact CB-CE2 4.17Å; K268-Y294 HydrophobicContact CD-CE2 3.86Å; K268-Y294 HydrophobicContact CG-CE2 4.37Å; K268-E295 PolarHBondContact NZ-O 3.37Å; K268-P296 PolarHBondContact NZ-O 3.47Å; K268-D298 PolarHBondContact NZ-O 2.99Å; K268-V300 HydrophobicContact CD-CG2 4.23Å; K268-V300 HydrophobicContact CG-CG2 4.13Å
269L86.7Confident91.6Very high52 Ų5236.9 Ų36.927%0.27220%0.203SC..Hα-helixtrans-62.2-45.2172.1179.763.4000111.6L91 M213 Q214 S267 T272 Y273L91-L269 HydrophobicContact CD2-CD2 3.71Å; M213-L269 HydrophobicContact CB-CD1 4.13Å; Q214-L269 HydrophobicContact CB-CD1 3.89Å; S267-L269 PolarHBondContact O-N 3.3Å; L269-T272 PolarHBondContact O-OG1 2.92Å; L269-T272 VanDerWaalsContact O-OG1 3.07Å; L269-Y273 VanDerWaalsContact O-CB 3.3Å; L269-Y273 WeakPolarHBondContact O-CB 3.36Å; L269-Y273 PolarHBondContact O-N 3.32Å
270A86.6Confident91.5Very high53 Ų5341.2 Ų41.244%0.43822%0.222SC..Hα-helixtrans-65.7-39.7177.800000112.2S267 Y273 E274S267-A270 PolarHBondContact O-N 3.23Å; S267-A270 VanDerWaalsContact O-N 3.14Å; S267-A270 PolarHBondContact OG-N 2.62Å; A270-Y273 WeakPolarHBondContact O-CB 3.3Å; A270-Y273 PolarHBondContact O-N 2.74Å; A270-E274 PolarHBondContact O-N 3.24Å
271I92.3Very high91.6Very high5 Ų540.4 Ų40.43%0.02622%0.219CC..Hα-helixtrans-69.7-42.3179.8-59.4159.1000111.3Y262 A266 S267 K268 Y273 E274 A275 L292 V300Y262-I271 VanDerWaalsContact CB-CD1 3.49Å; Y262-I271 HydrophobicContact CD1-CD1 3.72Å; Y262-I271 HydrophobicContact CD1-CG1 3.79Å; Y262-I271 HydrophobicContact CD2-CB 4.48Å; Y262-I271 HydrophobicContact CD2-CD1 3.77Å; Y262-I271 HydrophobicContact CD2-CG1 3.85Å; Y262-I271 HydrophobicContact CD2-CG2 3.74Å; Y262-I271 HydrophobicContact CE1-CD1 4.4Å; Y262-I271 HydrophobicContact CE1-CG1 3.95Å; Y262-I271 HydrophobicContact CE2-CB 4.45Å; Y262-I271 HydrophobicContact CE2-CD1 4.43Å; Y262-I271 HydrophobicContact CE2-CG1 4Å; Y262-I271 HydrophobicContact CE2-CG2 3.66Å; Y262-I271 HydrophobicContact CG-CD1 3.36Å; Y262-I271 HydrophobicContact CG-CG1 3.74Å; Y262-I271 HydrophobicContact CG-CG2 4.47Å; A266-I271 HydrophobicContact CB-CD1 3.88Å; S267-I271 WeakPolarHBondContact O-CG1 3.27Å; S267-I271 PolarHBondContact O-N 3.23Å; S267-I271 VanDerWaalsContact O-N 3.1Å; K268-I271 PolarHBondContact O-N 3.45Å; I271-Y273 VanDerWaalsContact C-N 3.3Å; I271-E274 PolarHBondContact O-N 3.14Å; I271-A275 PolarHBondContact O-N 2.93Å; I271-L292 HydrophobicContact CG2-CD1 4.15Å; I271-V300 HydrophobicContact CB-CG1 4.48Å; I271-V300 HydrophobicContact CD1-CB 4.19Å; I271-V300 HydrophobicContact CD1-CG2 4.48Å; I271-V300 HydrophobicContact CG2-CB 4.26Å; I271-V300 HydrophobicContact CG2-CG1 3.55Å
272T93.2Very high91.6Very high0 Ų045.9 Ų45.90%025%0.249CC..Hα-helixtrans-68.8-31.3176.252.70000112.1Q214 L218 K268 L269 S276 L292 Y294Q214-T272 HydrophobicContact CG-CG2 4.23Å; L218-T272 HydrophobicContact CD1-CG2 4.34Å; L218-T272 HydrophobicContact CD2-CG2 3.66Å; L218-T272 HydrophobicContact CG-CG2 3.86Å; K268-T272 WeakPolarHBondContact O-CB 3.38Å; K268-T272 VanDerWaalsContact O-CG2 3.3Å; K268-T272 WeakPolarHBondContact O-CG2 3.2Å; K268-T272 PolarHBondContact O-N 2.98Å; K268-T272 PolarHBondContact O-OG1 2.81Å; L269-T272 PolarHBondContact O-OG1 2.92Å; L269-T272 VanDerWaalsContact O-OG1 3.07Å; T272-S276 VanDerWaalsContact O-CB 3.26Å; T272-S276 WeakPolarHBondContact O-CB 3.4Å; T272-S276 PolarHBondContact O-N 2.95Å; T272-L292 HydrophobicContact CG2-CD2 4.2Å; T272-Y294 HydrophobicContact CG2-CD2 4.16Å; T272-Y294 HydrophobicContact CG2-CE2 4.2Å
273Y93.1Very high91.8Very high17 Ų1745.9 Ų45.97%0.06725%0.249CC..Hα-helixtrans-60-54.1167.7175.4-85.4000111.4R217 L269 A270 I271 A275 S276 L277 A377 R378 D379 I385R217-Y273 VanDerWaalsContact CZ-CD2 3.49Å; L269-Y273 VanDerWaalsContact O-CB 3.3Å; L269-Y273 WeakPolarHBondContact O-CB 3.36Å; L269-Y273 PolarHBondContact O-N 3.32Å; A270-Y273 WeakPolarHBondContact O-CB 3.3Å; A270-Y273 PolarHBondContact O-N 2.74Å; I271-Y273 VanDerWaalsContact C-N 3.3Å; Y273-A275 VanDerWaalsContact C-N 3.33Å; Y273-A275 PolarHBondContact O-N 3.45Å; Y273-S276 PolarHBondContact O-N 2.66Å; Y273-S276 VanDerWaalsContact O-N 3.15Å; Y273-L277 HydrophobicContact CE1-CB 4.31Å; Y273-L277 HydrophobicContact CE1-CD1 3.75Å; Y273-L277 WeakPolarHBondContact O-CB 3.5Å; Y273-L277 PolarHBondContact O-N 3.31Å; Y273-L277 WeakPolarHBondContact OH-CD1 3.49Å; Y273-A377 VanDerWaalsContact CE1-O 3.31Å; Y273-A377 WeakPolarHBondContact CE1-O 3.35Å; Y273-R378 WeakPolarHBondContact OH-CA 3.33Å; Y273-D379 PolarHBondContact OH-N 3.17Å; Y273-I385 HydrophobicContact CE2-CD1 3.62Å; Y273-I385 HydrophobicContact CE2-CG1 4.05Å; Y273-I385 WeakPolarHBondContact OH-CD1 3.4Å
274E93.7Very high92.3Very high7 Ų744.4 Ų44.43%0.03325%0.251CS..Hα-helixtrans-55.5-48.4179.1180-177.8-165.300111.1K260 Y262 A270 I271 S276 L277 M278 L302 G375K260-E274 IonicContact NZ-OE1 2.59Å; Y262-E274 PolarHBondContact OH-OE2 3.35Å; A270-E274 PolarHBondContact O-N 3.24Å; I271-E274 PolarHBondContact O-N 3.14Å; E274-S276 PolarHBondContact O-N 3.47Å; E274-L277 PolarHBondContact O-N 2.78Å; E274-M278 HydrophobicContact CG-SD 4.24Å; E274-M278 VanDerWaalsContact O-CG 3.3Å; E274-M278 WeakPolarHBondContact O-CG 3.19Å; E274-M278 PolarHBondContact O-N 2.84Å; E274-L302 HydrophobicContact CB-CD1 4.46Å; E274-L302 HydrophobicContact CG-CD1 3.98Å; E274-G375 VanDerWaalsContact CD-CA 3.49Å; E274-G375 PolarHBondContact OE1-N 3.21Å
275A96.6Very high92.7Very high0 Ų038.4 Ų38.40%023%0.226CC..Hα-helixtrans-58.9-46.717700000112.2L221 I271 Y273 M278 T279 F289 L292 L302L221-A275 HydrophobicContact CD1-CB 4.09Å; I271-A275 PolarHBondContact O-N 2.93Å; Y273-A275 VanDerWaalsContact C-N 3.33Å; Y273-A275 PolarHBondContact O-N 3.45Å; A275-M278 PolarHBondContact O-N 2.74Å; A275-T279 VanDerWaalsContact O-CG2 3.31Å; A275-T279 WeakPolarHBondContact O-CG2 3.42Å; A275-T279 PolarHBondContact O-N 2.69Å; A275-F289 HydrophobicContact CB-CE2 4.09Å; A275-F289 HydrophobicContact CB-CZ 3.84Å; A275-L292 HydrophobicContact CB-CD1 4.09Å; A275-L292 HydrophobicContact CB-CD2 4.19Å; A275-L302 HydrophobicContact CB-CD1 4.25Å
276S94.9Very high93.4Very high13 Ų1332.3 Ų32.39%0.09119%0.188CC..Hα-helixtrans-61.4-44177.6-179.80000111.6T272 Y273 E274 M278 T279T272-S276 VanDerWaalsContact O-CB 3.26Å; T272-S276 WeakPolarHBondContact O-CB 3.4Å; T272-S276 PolarHBondContact O-N 2.95Å; Y273-S276 PolarHBondContact O-N 2.66Å; Y273-S276 VanDerWaalsContact O-N 3.15Å; E274-S276 PolarHBondContact O-N 3.47Å; S276-M278 PolarHBondContact O-N 3.33Å; S276-T279 WeakPolarHBondContact O-CB 3.35Å; S276-T279 PolarHBondContact O-N 3.01Å; S276-T279 PolarHBondContact O-OG1 2.98Å
277L95Very high94.1Very high4 Ų431.6 Ų31.62%0.02118%0.181CC..Hα-helixtrans-59.5-48175.7-179.2148.2000111Y273 E274 T279 K280 L281 F348 F374 A377 D379Y273-L277 HydrophobicContact CE1-CB 4.31Å; Y273-L277 HydrophobicContact CE1-CD1 3.75Å; Y273-L277 WeakPolarHBondContact O-CB 3.5Å; Y273-L277 PolarHBondContact O-N 3.31Å; Y273-L277 WeakPolarHBondContact OH-CD1 3.49Å; E274-L277 PolarHBondContact O-N 2.78Å; L277-T279 PolarHBondContact O-N 3.3Å; L277-K280 WeakPolarHBondContact O-CB 3.31Å; L277-K280 PolarHBondContact O-N 3.46Å; L277-L281 HydrophobicContact CD2-CD1 3.69Å; L277-L281 HydrophobicContact CD2-CG 4.27Å; L277-F348 HydrophobicContact CD1-CD1 4.15Å; L277-F348 HydrophobicContact CD1-CE1 4.14Å; L277-F348 HydrophobicContact CD2-CE1 4.44Å; L277-F348 HydrophobicContact CG-CD1 4.22Å; L277-F348 HydrophobicContact CG-CE1 3.87Å; L277-F374 HydrophobicContact CD2-CB 3.91Å; L277-F374 HydrophobicContact CD2-CD1 4.39Å; L277-F374 HydrophobicContact CD2-CG 4.33Å; L277-A377 HydrophobicContact CD1-CB 3.97Å; L277-A377 HydrophobicContact CD2-CB 4.1Å; L277-D379 HydrophobicContact CD1-CB 4.42Å
278M97Very high94.6Very high8 Ų830.3 Ų30.34%0.03917%0.172CC..Hα-helixtrans-65.3-21.3-178.7-63.8-179.974.400113.3E274 A275 S276 K280 L281 F289 L302 T304 F374E274-M278 HydrophobicContact CG-SD 4.24Å; E274-M278 VanDerWaalsContact O-CG 3.3Å; E274-M278 WeakPolarHBondContact O-CG 3.19Å; E274-M278 PolarHBondContact O-N 2.84Å; A275-M278 PolarHBondContact O-N 2.74Å; S276-M278 PolarHBondContact O-N 3.33Å; M278-K280 PolarHBondContact O-N 3.47Å; M278-L281 PolarHBondContact O-N 3.06Å; M278-F289 HydrophobicContact CB-CB 3.69Å; M278-F289 HydrophobicContact CB-CD2 4.24Å; M278-F289 HydrophobicContact CB-CG 3.95Å; M278-F289 HydrophobicContact CE-CB 4.06Å; M278-F289 HydrophobicContact CE-CD2 4.46Å; M278-F289 HydrophobicContact SD-CD2 4.2Å; M278-L302 HydrophobicContact SD-CD1 4.38Å; M278-L302 HydrophobicContact SD-CD2 4.24Å; M278-T304 HydrophobicContact CE-CG2 3.79Å; M278-F374 HydrophobicContact CE-CD2 3.76Å; M278-F374 HydrophobicContact CE-CE2 4.12Å; M278-F374 HydrophobicContact CG-CB 4.05Å; M278-F374 HydrophobicContact CG-CD2 3.87Å; M278-F374 HydrophobicContact CG-CG 4.21Å; M278-F374 HydrophobicContact SD-CD2 4.08Å
279T96.2Very high95.1Very high49 Ų4929.8 Ų29.830%0.30117%0.17SC..THydrogen-bonded Turntrans-63.8-22.3171.970.70000113.4L221 Y226 A275 S276 L277 F289L221-T279 HydrophobicContact CD2-CG2 3.64Å; Y226-T279 HydrophobicContact CD2-CG2 3.89Å; Y226-T279 HydrophobicContact CE2-CG2 3.83Å; Y226-T279 HydrophobicContact CG-CG2 4.3Å; A275-T279 VanDerWaalsContact O-CG2 3.31Å; A275-T279 WeakPolarHBondContact O-CG2 3.42Å; A275-T279 PolarHBondContact O-N 2.69Å; S276-T279 WeakPolarHBondContact O-CB 3.35Å; S276-T279 PolarHBondContact O-N 3.01Å; S276-T279 PolarHBondContact O-OG1 2.98Å; L277-T279 PolarHBondContact O-N 3.3Å; T279-F289 HydrophobicContact CG2-CD1 3.99Å; T279-F289 HydrophobicContact CG2-CE1 3.86Å
280K95.1Very high95.6Very high91 Ų9129.8 Ų29.840%0.39617%0.17SC..THydrogen-bonded Turntrans-88-8.2179.5-52-179.9-171.7-178.50112.6L277 M278 Y342 F348 D379L277-K280 WeakPolarHBondContact O-CB 3.31Å; L277-K280 PolarHBondContact O-N 3.46Å; M278-K280 PolarHBondContact O-N 3.47Å; K280-Y342 PolarHBondContact O-OH 2.92Å; K280-F348 HydrophobicContact CB-CZ 3.87Å; K280-F348 HydrophobicContact CD-CZ 4.03Å; K280-D379 WeakPolarHBondContact CD-OD2 3.45Å; K280-D379 IonicContact NZ-OD2 3.63Å; K280-D379 PolarHBondContact NZ-OD2 3.06Å
281L96.1Very high96.2Very high16 Ų1627.3 Ų27.38%0.08415%0.149CC..  trans-103.3120.9-174.3-53.9-174.7000110.9L277 M278 L286 Y342 L343 F348 F374L277-L281 HydrophobicContact CD2-CD1 3.69Å; L277-L281 HydrophobicContact CD2-CG 4.27Å; M278-L281 PolarHBondContact O-N 3.06Å; L281-L286 HydrophobicContact CB-CD1 4.28Å; L281-Y342 HydrophobicContact CD2-CE1 4.14Å; L281-L343 HydrophobicContact CD1-CD2 4.3Å; L281-L343 HydrophobicContact CD2-CD2 3.75Å; L281-F348 HydrophobicContact CD2-CD1 4.22Å; L281-F348 HydrophobicContact CD2-CD2 3.98Å; L281-F348 HydrophobicContact CD2-CE1 4.11Å; L281-F348 HydrophobicContact CD2-CE2 3.88Å; L281-F348 HydrophobicContact CD2-CG 4.16Å; L281-F348 HydrophobicContact CD2-CZ 3.95Å; L281-F374 HydrophobicContact CD1-CD1 3.54Å; L281-F374 HydrophobicContact CD1-CD2 4.25Å; L281-F374 HydrophobicContact CD1-CE1 3.45Å; L281-F374 VanDerWaalsContact CD1-CE1 3.45Å; L281-F374 HydrophobicContact CD1-CE2 4.16Å; L281-F374 HydrophobicContact CD1-CG 3.96Å; L281-F374 HydrophobicContact CD1-CZ 3.78Å
282N95.8Very high96.4Very high134 Ų13427 Ų2772%0.71715%0.148SC*.  trans-146.799.8176.2-178.730.1000110.3Y342N282-Y342 PolarHBondContact N-OH 3.47Å; N282-Y342 WeakPolarHBondContact O-CE2 3.47Å
283H97.9Very high96.6Very high10 Ų1027.1 Ų27.15%0.04615%0.148CC..  trans-156.3142.6-178.1-174.8-94.6000110.6N285 L286 Y342H283-N285 PolarHBondContact CE1-OD1 3.34Å; H283-N285 PolarHBondContact ND1-N 3.05Å; H283-N285 VanDerWaalsContact ND1-N 3.11Å; H283-N285 PolarHBondContact O-N 3.3Å; H283-N285 VanDerWaalsContact O-N 3.16Å; H283-L286 HydrophobicContact CB-CB 4.25Å; H283-L286 HydrophobicContact CB-CD1 3.86Å; H283-L286 HydrophobicContact CB-CG 3.84Å; H283-L286 PolarHBondContact O-N 3.31Å; H283-Y342 HydrophobicContact CB-CD1 4.14Å; H283-Y342 HydrophobicContact CB-CD2 3.68Å; H283-Y342 HydrophobicContact CB-CE1 4.41Å; H283-Y342 HydrophobicContact CB-CE2 3.87Å; H283-Y342 HydrophobicContact CB-CG 3.82Å; H283-Y342 AromaticContact CD2-CD2 3.46Å; H283-Y342 VanDerWaalsContact CD2-CD2 3.46Å; H283-Y342 WeakPolarHBondContact CD2-CD2 3.39Å; H283-Y342 AromaticContact CD2-CG 3.81Å; H283-Y342 AromaticContact CG-CD2 3.79Å; H283-Y342 AromaticContact CG-CG 3.85Å
284P97.3Very high96.6Very high79 Ų7928.7 Ų28.751%0.51315%0.154SC..THydrogen-bonded Turntrans-58.9-28.4-177.521.7-35.3000114.5K370P284-K370 WeakPolarHBondContact O-CD 3.13Å; P284-K370 WeakPolarHBondContact O-CE 3.34Å; P284-K370 WeakPolarHBondContact O-CG 3Å
285N98.5Very high96.3Very high9 Ų932 Ų325%0.04817%0.169CC..THydrogen-bonded Turntrans-98.618.8177-56102.6000114H283 D335 A369 K370 V371H283-N285 PolarHBondContact CE1-OD1 3.34Å; H283-N285 PolarHBondContact ND1-N 3.05Å; H283-N285 VanDerWaalsContact ND1-N 3.11Å; H283-N285 PolarHBondContact O-N 3.3Å; H283-N285 VanDerWaalsContact O-N 3.16Å; N285-D335 WeakPolarHBondContact CB-O 3.22Å; N285-D335 WeakPolarHBondContact ND2-CA 3.1Å; N285-D335 VanDerWaalsContact ND2-CB 3.31Å; N285-D335 WeakPolarHBondContact ND2-CB 3.31Å; N285-D335 PolarHBondContact ND2-O 3.28Å; N285-D335 PolarHBondContact ND2-OD1 3.18Å; N285-A369 PolarHBondContact ND2-O 3.49Å; N285-K370 CarbonylContact O-C 3.43Å; N285-K370 VanDerWaalsContact O-CA 3.29Å; N285-K370 WeakPolarHBondContact O-CA 3.45Å; N285-V371 PolarHBondContact O-N 2.87Å
286L98.4Very high95.6Very high3 Ų336.3 Ų36.32%0.01620%0.197CC..BIsolated β-bridgetrans-120.7145.3169.3-59.2-178000109.1L281 H283 S288 Y342 L343 V371 F374L281-L286 HydrophobicContact CB-CD1 4.28Å; H283-L286 HydrophobicContact CB-CB 4.25Å; H283-L286 HydrophobicContact CB-CD1 3.86Å; H283-L286 HydrophobicContact CB-CG 3.84Å; H283-L286 PolarHBondContact O-N 3.31Å; L286-S288 PolarHBondContact O-N 3.21Å; L286-Y342 HydrophobicContact CD1-CD1 3.53Å; L286-Y342 HydrophobicContact CD1-CE1 3.77Å; L286-Y342 HydrophobicContact CD1-CG 4.39Å; L286-L343 HydrophobicContact CD1-CD2 3.88Å; L286-L343 HydrophobicContact CD1-CG 4.33Å; L286-L343 HydrophobicContact CD2-CD1 4.37Å; L286-L343 HydrophobicContact CD2-CG 4.42Å; L286-V371 HydrophobicContact CD2-CB 3.73Å; L286-V371 HydrophobicContact CD2-CG2 4.2Å; L286-F374 HydrophobicContact CB-CZ 4.23Å; L286-F374 HydrophobicContact CD2-CE1 4.46Å; L286-F374 HydrophobicContact CD2-CZ 4.12Å
287V98Very high95Very high8 Ų842.8 Ų42.85%0.04823%0.231CC..PPolyproline II helixtrans-69.5124.2176.3173.70000110.4T304 E305 L307 L359 K370 V371 A372V287-T304 HydrophobicContact CG1-CG2 4.2Å; V287-E305 HydrophobicContact CG1-CG 3.96Å; V287-L307 HydrophobicContact CG2-CD1 3.71Å; V287-L359 HydrophobicContact CG2-CB 4.41Å; V287-L359 HydrophobicContact CG2-CD1 4.14Å; V287-K370 HydrophobicContact CG2-CB 4.01Å; V287-V371 WeakPolarHBondContact CG2-O 3.34Å; V287-V371 PolarHBondContact N-O 2.87Å; V287-A372 HydrophobicContact CB-CB 4.21Å; V287-A372 HydrophobicContact CG2-CB 3.53Å
288S97.5Very high94.6Very high44 Ų4445.1 Ų45.131%0.30824%0.244SC..PPolyproline II helixtrans-75.9130.1-175.4-50.90000112.2L286 T304 E305L286-S288 PolarHBondContact O-N 3.21Å; S288-T304 CarbonylContact O-C 3.52Å; S288-T304 VanDerWaalsContact O-CA 3.3Å; S288-T304 WeakPolarHBondContact O-CA 3.44Å; S288-T304 WeakPolarHBondContact O-CB 3.3Å; S288-E305 VanDerWaalsContact CB-OE1 3.24Å; S288-E305 WeakPolarHBondContact CB-OE1 3.36Å; S288-E305 PolarHBondContact N-OE1 3.04Å; S288-E305 PolarHBondContact O-N 3.42Å; S288-E305 PolarHBondContact OG-OE1 2.91Å
289F98Very high94.2Very high23 Ų2345.2 Ų45.210%0.10125%0.246CC..EExtended strand (participates in β ladder)trans-76.2138.3169.6-177.9-116.6000111.6L221 Y226 A275 M278 T279 G291 L292 L302L221-F289 HydrophobicContact CD2-CE1 4.24Å; Y226-F289 AromaticContact CD1-CD1 3.86Å; Y226-F289 HydrophobicContact CD1-CD1 3.86Å; Y226-F289 AromaticContact CD1-CE1 3.6Å; Y226-F289 HydrophobicContact CD1-CE1 3.6Å; Y226-F289 HydrophobicContact CE1-CD1 4.05Å; Y226-F289 HydrophobicContact CE1-CE1 4.24Å; Y226-F289 AromaticContact CG-CE1 3.92Å; Y226-F289 HydrophobicContact CG-CE1 3.92Å; A275-F289 HydrophobicContact CB-CE2 4.09Å; A275-F289 HydrophobicContact CB-CZ 3.84Å; M278-F289 HydrophobicContact CB-CB 3.69Å; M278-F289 HydrophobicContact CB-CD2 4.24Å; M278-F289 HydrophobicContact CB-CG 3.95Å; M278-F289 HydrophobicContact CE-CB 4.06Å; M278-F289 HydrophobicContact CE-CD2 4.46Å; M278-F289 HydrophobicContact SD-CD2 4.2Å; T279-F289 HydrophobicContact CG2-CD1 3.99Å; T279-F289 HydrophobicContact CG2-CE1 3.86Å; F289-G291 WeakPolarHBondContact CE2-O 3.37Å; F289-G291 VanDerWaalsContact CZ-CA 3.43Å; F289-G291 WeakPolarHBondContact CZ-O 3.49Å; F289-L292 HydrophobicContact CZ-CB 4.28Å; F289-L302 HydrophobicContact CE2-CD1 4.36Å; F289-L302 HydrophobicContact CE2-CG 4.19Å
290I97.5Very high94.1Very high53 Ų5343 Ų4327%0.27223%0.232SC..EExtended strand (participates in β ladder)trans-111.5-43.8178.3-63.4-179.2000110.8I228 Y252 V257 I303 T304I228-I290 HydrophobicContact CD1-CG2 4.46Å; Y252-I290 HydrophobicContact CD1-CG2 3.96Å; Y252-I290 HydrophobicContact CE1-CG2 4.08Å; V257-I290 HydrophobicContact CB-CD1 4.18Å; V257-I290 HydrophobicContact CG1-CD1 3.47Å; V257-I290 VanDerWaalsContact CG1-CD1 3.47Å; I290-I303 HydrophobicContact CB-CB 4.39Å; I290-I303 HydrophobicContact CB-CG2 3.99Å; I290-I303 HydrophobicContact CG2-CG2 4.12Å; I290-I303 PolarHBondContact N-O 3.39Å; I290-T304 VanDerWaalsContact CD1-C 3.48Å; I290-T304 WeakPolarHBondContact CD1-O 3.46Å
291G97.6Very high94.2Very high0 Ų039.9 Ų39.90%022%0.218CC..EExtended strand (participates in β ladder)trans171.3-174.9179.100000114.4Y226 F289 I303Y226-G291 CarbonylContact O-C 3.53Å; Y226-G291 WeakPolarHBondContact O-CA 3.22Å; F289-G291 WeakPolarHBondContact CE2-O 3.37Å; F289-G291 VanDerWaalsContact CZ-CA 3.43Å; F289-G291 WeakPolarHBondContact CZ-O 3.49Å; G291-I303 PolarHBondContact N-O 3.12Å; G291-I303 WeakPolarHBondContact O-CB 3.46Å; G291-I303 PolarHBondContact O-N 3.21Å
292L97.9Very high94.2Very high0 Ų039.4 Ų39.40%022%0.216CC..EExtended strand (participates in β ladder)trans-132.9129.2-176.1-170.975.6000109.5L218 L221 Y226 L227 I228 I271 T272 A275 F289 V300 Y301 L302L218-L292 HydrophobicContact CD2-CD2 4.1Å; L221-L292 HydrophobicContact CD1-CD2 3.87Å; Y226-L292 PolarHBondContact O-N 3.33Å; L227-L292 WeakPolarHBondContact CA-O 3.26Å; L227-L292 HydrophobicContact CD2-CB 4.14Å; L227-L292 HydrophobicContact CD2-CD2 4.13Å; I228-L292 PolarHBondContact N-O 2.78Å; I271-L292 HydrophobicContact CG2-CD1 4.15Å; T272-L292 HydrophobicContact CG2-CD2 4.2Å; A275-L292 HydrophobicContact CB-CD1 4.09Å; A275-L292 HydrophobicContact CB-CD2 4.19Å; F289-L292 HydrophobicContact CZ-CB 4.28Å; L292-V300 HydrophobicContact CD1-CG1 3.62Å; L292-V300 HydrophobicContact CG-CG1 4.15Å; L292-Y301 CarbonylContact C-O 3.53Å; L292-Y301 WeakPolarHBondContact CA-O 3.47Å; L292-L302 HydrophobicContact CD1-CB 4.3Å
293V96.6Very high94.3Very high1 Ų133 Ų331%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-93.6120.9160.6-172.80000107.5I228 R230 I233 V300 Y301 I303I228-V293 HydrophobicContact CB-CG2 4.33Å; I228-V293 HydrophobicContact CG2-CG2 4.43Å; R230-V293 HydrophobicContact CB-CG1 3.81Å; I233-V293 HydrophobicContact CD1-CG2 3.36Å; V293-V300 WeakPolarHBondContact O-CG1 3.38Å; V293-Y301 HydrophobicContact CB-CD2 3.98Å; V293-Y301 HydrophobicContact CB-CG 4.13Å; V293-Y301 HydrophobicContact CG1-CD2 4.24Å; V293-Y301 HydrophobicContact CG2-CG 4.42Å; V293-Y301 PolarHBondContact N-O 3.02Å; V293-Y301 PolarHBondContact O-N 3.12Å; V293-I303 HydrophobicContact CG2-CD1 4.06Å
294Y94.1Very high94.3Very high51 Ų5133.5 Ų33.520%0.219%0.185CC..  trans-127.1119.1-179.5-177.5-84.3000110.1Q214 L218 K268 T272 P296 V300Q214-Y294 PolarHBondContact NE2-OH 3.14Å; L218-Y294 HydrophobicContact CD1-CD1 3.86Å; L218-Y294 HydrophobicContact CD1-CD2 4.18Å; L218-Y294 HydrophobicContact CD1-CE1 3.6Å; L218-Y294 HydrophobicContact CD1-CE2 3.91Å; L218-Y294 HydrophobicContact CD1-CG 4.16Å; L218-Y294 HydrophobicContact CD2-CD1 4.01Å; L218-Y294 HydrophobicContact CD2-CD2 3.77Å; L218-Y294 HydrophobicContact CD2-CE2 4.3Å; L218-Y294 HydrophobicContact CD2-CG 3.61Å; K268-Y294 HydrophobicContact CB-CE2 4.17Å; K268-Y294 HydrophobicContact CD-CE2 3.86Å; K268-Y294 HydrophobicContact CG-CE2 4.37Å; T272-Y294 HydrophobicContact CG2-CD2 4.16Å; T272-Y294 HydrophobicContact CG2-CE2 4.2Å; Y294-P296 HydrophobicContact CE1-CG 4.2Å; Y294-V300 HydrophobicContact CD2-CG1 4.36Å; Y294-V300 HydrophobicContact CD2-CG2 3.96Å; Y294-V300 HydrophobicContact CE2-CG2 4.21Å
295E86.4Confident94.3Very high75 Ų7531.5 Ų31.535%0.3517%0.169SC..  trans-125.2128.3172.5-66.8-177.5-170.600108.6R230 K268 D297 D298R230-E295 WeakPolarHBondContact CB-OE1 3.31Å; K268-E295 PolarHBondContact NZ-O 3.37Å; E295-D297 VanDerWaalsContact C-N 3.27Å; E295-D297 PolarHBondContact O-N 3.34Å; E295-D298 HydrophobicContact CB-CB 3.9Å; E295-D298 PolarHBondContact O-N 3.08Å
296P81.9Confident94.2Very high91 Ų9133.8 Ų33.859%0.59118%0.177SC*.THydrogen-bonded Turntrans-55.8-33.6-172.1-29.635.5000115.6K268 Y294K268-P296 PolarHBondContact NZ-O 3.47Å; Y294-P296 HydrophobicContact CE1-CG 4.2Å
297D82.8Confident94.2Very high150 Ų15034.3 Ų34.380%0.80218%0.18SC*.THydrogen-bonded Turntrans-112.77.6-175.9-56.1-58.1000113.2E295E295-D297 VanDerWaalsContact C-N 3.27Å; E295-D297 PolarHBondContact O-N 3.34Å
298D86Confident93.9Very high52 Ų5237 Ų3728%0.27820%0.199SC..SBendtrans-122.5178.6-179.3-148.5-0.9000113.1K264 K268 E295K264-D298 WeakPolarHBondContact CE-OD1 3.5Å; K264-D298 IonicContact NZ-OD1 3.45Å; K264-D298 PolarHBondContact NZ-OD1 3.17Å; K268-D298 PolarHBondContact NZ-O 2.99Å; E295-D298 HydrophobicContact CB-CB 3.9Å; E295-D298 PolarHBondContact O-N 3.08Å
299A88.8Confident93.8Very high11 Ų1137.1 Ų37.19%0.09120%0.196CC..  trans-61.4146.9173.300000111.6I261 Y262 K264 Y301I261-A299 HydrophobicContact CG2-CB 4.12Å; Y262-A299 WeakPolarHBondContact O-CB 3.25Å; K264-A299 HydrophobicContact CG-CB 4.45Å; A299-Y301 HydrophobicContact CB-CE2 4.2Å; A299-Y301 WeakPolarHBondContact O-CD2 3.48Å; A299-Y301 WeakPolarHBondContact O-CE2 3.26Å
300V94.2Very high93.6Very high2 Ų237.4 Ų37.41%0.01221%0.206CC..  trans-100.1137.1177.7-177.80000109.2Y262 K268 I271 L292 V293 Y294Y262-V300 PolarHBondContact N-O 3.25Å; K268-V300 HydrophobicContact CD-CG2 4.23Å; K268-V300 HydrophobicContact CG-CG2 4.13Å; I271-V300 HydrophobicContact CB-CG1 4.48Å; I271-V300 HydrophobicContact CD1-CB 4.19Å; I271-V300 HydrophobicContact CD1-CG2 4.48Å; I271-V300 HydrophobicContact CG2-CB 4.26Å; I271-V300 HydrophobicContact CG2-CG1 3.55Å; L292-V300 HydrophobicContact CD1-CG1 3.62Å; L292-V300 HydrophobicContact CG-CG1 4.15Å; V293-V300 WeakPolarHBondContact O-CG1 3.38Å; Y294-V300 HydrophobicContact CD2-CG1 4.36Å; Y294-V300 HydrophobicContact CD2-CG2 3.96Å; Y294-V300 HydrophobicContact CE2-CG2 4.21Å
301Y96.8Very high93.5Very high26 Ų2635.9 Ų35.910%0.10220%0.2CC..EExtended strand (participates in β ladder)trans-115.7114.3-178.1-56.3-119.1000109.4R230 L235 V259 K260 I261 L292 V293 A299R230-Y301 PolarHBondContact NE-OH 3.27Å; L235-Y301 HydrophobicContact CD1-CE1 4.14Å; L235-Y301 HydrophobicContact CD2-CE1 4.38Å; V259-Y301 HydrophobicContact CG1-CD1 3.61Å; V259-Y301 HydrophobicContact CG1-CG 4.23Å; K260-Y301 WeakPolarHBondContact O-CA 3.42Å; I261-Y301 HydrophobicContact CB-CD1 4.48Å; I261-Y301 HydrophobicContact CB-CE1 4.48Å; I261-Y301 HydrophobicContact CD1-CD1 4.02Å; I261-Y301 HydrophobicContact CD1-CE1 3.59Å; I261-Y301 HydrophobicContact CG1-CD1 3.67Å; I261-Y301 HydrophobicContact CG1-CE1 3.72Å; I261-Y301 HydrophobicContact CG2-CD1 4.34Å; I261-Y301 HydrophobicContact CG2-CE1 4.03Å; L292-Y301 CarbonylContact C-O 3.53Å; L292-Y301 WeakPolarHBondContact CA-O 3.47Å; V293-Y301 HydrophobicContact CB-CD2 3.98Å; V293-Y301 HydrophobicContact CB-CG 4.13Å; V293-Y301 HydrophobicContact CG1-CD2 4.24Å; V293-Y301 HydrophobicContact CG2-CG 4.42Å; V293-Y301 PolarHBondContact N-O 3.02Å; V293-Y301 PolarHBondContact O-N 3.12Å; A299-Y301 HydrophobicContact CB-CE2 4.2Å; A299-Y301 WeakPolarHBondContact O-CD2 3.48Å; A299-Y301 WeakPolarHBondContact O-CE2 3.26Å
302L97.3Very high93.5Very high6 Ų635.9 Ų35.93%0.03120%0.2CC..EExtended strand (participates in β ladder)trans-94.9125.3173.1-176.8134.7000109.5V259 K260 Y262 E274 A275 M278 F289 L292 T304V259-L302 WeakPolarHBondContact CA-O 3.42Å; K260-L302 HydrophobicContact CB-CB 4.45Å; K260-L302 PolarHBondContact N-O 3.17Å; K260-L302 PolarHBondContact O-N 2.83Å; Y262-L302 HydrophobicContact CE2-CB 3.83Å; E274-L302 HydrophobicContact CB-CD1 4.46Å; E274-L302 HydrophobicContact CG-CD1 3.98Å; A275-L302 HydrophobicContact CB-CD1 4.25Å; M278-L302 HydrophobicContact SD-CD1 4.38Å; M278-L302 HydrophobicContact SD-CD2 4.24Å; F289-L302 HydrophobicContact CE2-CD1 4.36Å; F289-L302 HydrophobicContact CE2-CG 4.19Å; L292-L302 HydrophobicContact CD1-CB 4.3Å; L302-T304 HydrophobicContact CD2-CG2 3.8Å
303I97.7Very high93.5Very high0 Ų037.7 Ų37.70%021%0.21CC..EExtended strand (participates in β ladder)trans-114.5125.8-169.5-50.1152.7000109.6I228 I233 V257 A258 V259 I290 G291 V293I228-I303 HydrophobicContact CB-CD1 4.3Å; I228-I303 HydrophobicContact CD1-CD1 3.57Å; I228-I303 HydrophobicContact CG1-CD1 4.46Å; I233-I303 HydrophobicContact CD1-CD1 3.35Å; I233-I303 HydrophobicContact CD1-CG1 4.06Å; V257-I303 HydrophobicContact CB-CG2 3.76Å; V257-I303 HydrophobicContact CG1-CG2 4.25Å; V257-I303 HydrophobicContact CG2-CG2 3.76Å; A258-I303 WeakPolarHBondContact O-CA 3.46Å; V259-I303 HydrophobicContact CG2-CG1 4.39Å; V259-I303 HydrophobicContact CG2-CG2 4.42Å; I290-I303 HydrophobicContact CB-CB 4.39Å; I290-I303 HydrophobicContact CB-CG2 3.99Å; I290-I303 HydrophobicContact CG2-CG2 4.12Å; I290-I303 PolarHBondContact N-O 3.39Å; G291-I303 PolarHBondContact N-O 3.12Å; G291-I303 WeakPolarHBondContact O-CB 3.46Å; G291-I303 PolarHBondContact O-N 3.21Å; V293-I303 HydrophobicContact CG2-CD1 4.06Å
304T97.9Very high93.4Very high20 Ų2041.9 Ų41.912%0.12324%0.235CC..EExtended strand (participates in β ladder)trans-128.2172.3177.9650000111.1A258 M278 V287 S288 I290 L302A258-T304 PolarHBondContact N-O 3.33Å; A258-T304 PolarHBondContact O-N 3.17Å; M278-T304 HydrophobicContact CE-CG2 3.79Å; V287-T304 HydrophobicContact CG1-CG2 4.2Å; S288-T304 CarbonylContact O-C 3.52Å; S288-T304 VanDerWaalsContact O-CA 3.3Å; S288-T304 WeakPolarHBondContact O-CA 3.44Å; S288-T304 WeakPolarHBondContact O-CB 3.3Å; I290-T304 VanDerWaalsContact CD1-C 3.48Å; I290-T304 WeakPolarHBondContact CD1-O 3.46Å; L302-T304 HydrophobicContact CD2-CG2 3.8Å
305E97Very high93.5Very high37 Ų3740 Ų4017%0.17323%0.228CC..EExtended strand (participates in β ladder)trans-54.8142.7165.965178.4119.900111.2V287 S288 L307 K370V287-E305 HydrophobicContact CG1-CG 3.96Å; S288-E305 VanDerWaalsContact CB-OE1 3.24Å; S288-E305 WeakPolarHBondContact CB-OE1 3.36Å; S288-E305 PolarHBondContact N-OE1 3.04Å; S288-E305 PolarHBondContact O-N 3.42Å; S288-E305 PolarHBondContact OG-OE1 2.91Å; E305-L307 HydrophobicContact CG-CD2 4.33Å; E305-L307 HydrophobicContact CG-CG 4.27Å; E305-K370 VanDerWaalsContact CD-NZ 3.27Å; E305-K370 IonicContact OE1-NZ 2.6Å; E305-K370 PolarHBondContact OE1-NZ 3.01Å; E305-K370 IonicContact OE2-NZ 3.19Å; E305-K370 PolarHBondContact OE2-NZ 3.13Å
306Y97.1Very high94Very high56 Ų5636.6 Ų36.622%0.2221%0.212CC..  trans-86.6128.1173.1175.8-112.7000110.4I239 K249 Q256 A258I239-Y306 HydrophobicContact CD1-CD2 4.1Å; I239-Y306 HydrophobicContact CD1-CE2 3.84Å; I239-Y306 HydrophobicContact CG2-CE2 4.4Å; K249-Y306 HydrophobicContact CB-CD2 4.47Å; K249-Y306 HydrophobicContact CB-CE2 4.19Å; K249-Y306 HydrophobicContact CD-CE1 4.19Å; K249-Y306 HydrophobicContact CD-CE2 4.25Å; K249-Y306 HydrophobicContact CG-CD2 4.21Å; K249-Y306 HydrophobicContact CG-CE2 4.07Å; Q256-Y306 HydrophobicContact CB-CD1 4.09Å; Q256-Y306 HydrophobicContact CB-CG 4.46Å; A258-Y306 HydrophobicContact CB-CD2 4.37Å
307L96.4Very high94.6Very high14 Ų1437.8 Ų37.87%0.07321%0.21CC..  trans-115.9101.4-179.4-66.4-179.8000110.2V287 E305 N309 G310 L359 K370V287-L307 HydrophobicContact CG2-CD1 3.71Å; E305-L307 HydrophobicContact CG-CD2 4.33Å; E305-L307 HydrophobicContact CG-CG 4.27Å; L307-N309 VanDerWaalsContact C-N 3.25Å; L307-N309 PolarHBondContact O-N 2.87Å; L307-G310 PolarHBondContact O-N 3.02Å; L307-L359 HydrophobicContact CB-CB 4.12Å; L307-L359 HydrophobicContact CB-CD1 4.4Å; L307-L359 HydrophobicContact CD1-CB 3.32Å; L307-L359 HydrophobicContact CD1-CD1 3.93Å; L307-L359 HydrophobicContact CD1-CG 4.26Å; L307-L359 HydrophobicContact CG-CB 4.34Å; L307-K370 HydrophobicContact CD1-CB 4.34Å; L307-K370 HydrophobicContact CD1-CD 4.19Å
308S92.9Very high95.1Very high64 Ų6433.2 Ų33.245%0.44819%0.189SC..THydrogen-bonded Turntrans-66.5-19.7-165.956.80000115.5G310S308-G310 VanDerWaalsContact C-N 3.3Å
309N94.3Very high95.3Very high47 Ų4735.4 Ų35.425%0.25119%0.193SC..THydrogen-bonded Turntrans-89.54-179.3-59.3-68.9000112.9L307 L360 G362 L367L307-N309 VanDerWaalsContact C-N 3.25Å; L307-N309 PolarHBondContact O-N 2.87Å; N309-L360 HydrophobicContact CB-CB 3.68Å; N309-L360 WeakPolarHBondContact CB-O 3.45Å; N309-G362 PolarHBondContact ND2-O 2.8Å; N309-L367 HydrophobicContact CB-CD2 4.4Å; N309-L367 VanDerWaalsContact ND2-CD2 3.34Å; N309-L367 WeakPolarHBondContact ND2-CD2 3.45Å
310G94.3Very high95.3Very high30 Ų3038.4 Ų38.431%0.30921%0.211SC..  trans67.1-157.3176.600000113.3L307 S308 L359 L360L307-G310 PolarHBondContact O-N 3.02Å; S308-G310 VanDerWaalsContact C-N 3.3Å; G310-L359 WeakPolarHBondContact O-CA 3.5Å; G310-L360 PolarHBondContact O-N 2.92Å
311S96.2Very high94.8Very high20 Ų2043.4 Ų43.414%0.1423%0.23CC..BIsolated β-bridgetrans-76.8149.3179.878.80000112.2L313 T314 Y315 V358S311-L313 PolarHBondContact O-N 3.13Å; S311-T314 PolarHBondContact O-N 2.87Å; S311-T314 PolarHBondContact OG-N 2.81Å; S311-T314 VanDerWaalsContact OG-N 3.09Å; S311-T314 PolarHBondContact OG-OG1 3.07Å; S311-Y315 WeakPolarHBondContact O-CB 3.43Å; S311-Y315 PolarHBondContact O-N 3.33Å; S311-V358 CarbonylContact C-O 3.57Å; S311-V358 VanDerWaalsContact CA-O 3.26Å; S311-V358 WeakPolarHBondContact CA-O 3.29Å
312L97.7Very high94.2Very high0 Ų049.1 Ų49.10%026%0.262CS..Hα-helixtrans-58-39.6173176.159.2000110.5T314 Y315 L316 F332 V358 L360 L480 I484L312-T314 PolarHBondContact O-N 3.15Å; L312-Y315 WeakPolarHBondContact O-CB 3.47Å; L312-Y315 PolarHBondContact O-N 3.18Å; L312-L316 HydrophobicContact CD1-CD1 4.15Å; L312-L316 HydrophobicContact CD1-CD2 4.21Å; L312-L316 HydrophobicContact CD1-CG 3.91Å; L312-L316 HydrophobicContact CG-CD1 4Å; L312-L316 HydrophobicContact CG-CG 4.23Å; L312-L316 WeakPolarHBondContact O-CB 3.35Å; L312-L316 WeakPolarHBondContact O-CG 3.5Å; L312-L316 PolarHBondContact O-N 2.99Å; L312-F332 HydrophobicContact CD1-CD2 3.52Å; L312-F332 HydrophobicContact CD1-CE2 3.7Å; L312-F332 HydrophobicContact CD1-CG 4.07Å; L312-F332 HydrophobicContact CD1-CZ 4.39Å; L312-V358 HydrophobicContact CB-CB 3.88Å; L312-V358 HydrophobicContact CB-CG1 3.91Å; L312-V358 HydrophobicContact CD2-CB 4.08Å; L312-V358 HydrophobicContact CD2-CG1 3.84Å; L312-V358 PolarHBondContact N-O 3.19Å; L312-L360 HydrophobicContact CB-CD2 4.5Å; L312-L360 HydrophobicContact CD1-CD1 4.25Å; L312-L360 HydrophobicContact CD1-CD2 4.27Å; L312-L480 HydrophobicContact CD2-CD1 4.38Å; L312-I484 HydrophobicContact CD2-CD1 4.07Å; L312-I484 HydrophobicContact CD2-CG1 3.96Å
313L97Very high93.8Very high39 Ų3952.5 Ų52.520%0.20428%0.278CS..Hα-helixtrans-57-51.4175.2-177.762.9000112.1S311 Y315 L316 H317 A355 R356S311-L313 PolarHBondContact O-N 3.13Å; L313-Y315 VanDerWaalsContact C-N 3.29Å; L313-Y315 PolarHBondContact O-N 2.98Å; L313-L316 PolarHBondContact O-N 3.26Å; L313-H317 PolarHBondContact O-N 3.18Å; L313-H317 VanDerWaalsContact O-N 3.1Å; L313-A355 HydrophobicContact CB-CB 3.95Å; L313-A355 HydrophobicContact CD1-CB 4.31Å; L313-A355 PolarHBondContact N-O 3.5Å; L313-A355 VanDerWaalsContact N-O 3.1Å; L313-R356 HydrophobicContact CB-CB 4.48Å; L313-R356 HydrophobicContact CD2-CB 3.96Å
314T95.3Very high93.4Very high88 Ų8852.5 Ų52.554%0.5428%0.278SS..Hα-helixtrans-62.2-40177.4-530000111.3S311 L312 H317 S318S311-T314 PolarHBondContact O-N 2.87Å; S311-T314 PolarHBondContact OG-N 2.81Å; S311-T314 VanDerWaalsContact OG-N 3.09Å; S311-T314 PolarHBondContact OG-OG1 3.07Å; L312-T314 PolarHBondContact O-N 3.15Å; T314-H317 PolarHBondContact O-N 2.63Å; T314-S318 VanDerWaalsContact O-CB 3.29Å; T314-S318 WeakPolarHBondContact O-CB 3.5Å; T314-S318 PolarHBondContact O-N 2.92Å; T314-S318 PolarHBondContact O-OG 2.97Å
315Y95.8Very high93.1Very high13 Ų1354.7 Ų54.75%0.05129%0.291CS..Hα-helixtrans-60.5-49.9177-175.5-91.7000111.3S311 L312 L313 H317 S318 R319 I324 F332 L360 K364 L367S311-Y315 WeakPolarHBondContact O-CB 3.43Å; S311-Y315 PolarHBondContact O-N 3.33Å; L312-Y315 WeakPolarHBondContact O-CB 3.47Å; L312-Y315 PolarHBondContact O-N 3.18Å; L313-Y315 VanDerWaalsContact C-N 3.29Å; L313-Y315 PolarHBondContact O-N 2.98Å; Y315-H317 VanDerWaalsContact C-N 3.31Å; Y315-H317 PolarHBondContact O-N 3.24Å; Y315-S318 PolarHBondContact O-N 3.2Å; Y315-S318 PolarHBondContact O-OG 3.49Å; Y315-R319 HydrophobicContact CD1-CG 4.48Å; Y315-R319 HydrophobicContact CE1-CG 4.18Å; Y315-R319 HydrophobicContact CE2-CG 4.34Å; Y315-R319 WeakPolarHBondContact O-CG 3.47Å; Y315-I324 HydrophobicContact CE1-CD1 4.43Å; Y315-I324 HydrophobicContact CE1-CG1 4.21Å; Y315-F332 HydrophobicContact CD1-CE2 4.18Å; Y315-F332 HydrophobicContact CD1-CZ 4.33Å; Y315-F332 HydrophobicContact CE1-CE2 4.04Å; Y315-F332 HydrophobicContact CE1-CZ 4.04Å; Y315-L360 HydrophobicContact CD1-CD1 3.79Å; Y315-L360 HydrophobicContact CD2-CD1 3.71Å; Y315-L360 HydrophobicContact CE1-CD1 4.44Å; Y315-L360 HydrophobicContact CE2-CD1 4.37Å; Y315-L360 HydrophobicContact CG-CD1 3.38Å; Y315-K364 WeakPolarHBondContact OH-CE 3.45Å; Y315-L367 HydrophobicContact CD2-CD1 4.36Å; Y315-L367 HydrophobicContact CE1-CD1 4.23Å; Y315-L367 HydrophobicContact CE2-CD1 3.5Å; Y315-L367 VanDerWaalsContact CZ-CD1 3.43Å; Y315-L367 WeakPolarHBondContact OH-CD1 3.46Å
316L96Very high92.8Very high2 Ų255.8 Ų55.81%0.0130%0.296CS..Hα-helixtrans-58.8-39.7178.6-68.7171.9000112.4L312 L313 S318 I324 I484L312-L316 HydrophobicContact CD1-CD1 4.15Å; L312-L316 HydrophobicContact CD1-CD2 4.21Å; L312-L316 HydrophobicContact CD1-CG 3.91Å; L312-L316 HydrophobicContact CG-CD1 4Å; L312-L316 HydrophobicContact CG-CG 4.23Å; L312-L316 WeakPolarHBondContact O-CB 3.35Å; L312-L316 WeakPolarHBondContact O-CG 3.5Å; L312-L316 PolarHBondContact O-N 2.99Å; L313-L316 PolarHBondContact O-N 3.26Å; L316-S318 VanDerWaalsContact C-N 3.33Å; L316-I324 HydrophobicContact CD2-CD1 3.84Å; L316-I324 HydrophobicContact CD2-CG2 4.32Å; L316-I484 HydrophobicContact CD1-CG1 4.44Å
317H95Very high92.5Very high117 Ų11756.7 Ų56.754%0.54230%0.304SS..Hα-helixtrans-70.8-26.9175.8-69162.8000113.9L313 T314 Y315 Y487 G488L313-H317 PolarHBondContact O-N 3.18Å; L313-H317 VanDerWaalsContact O-N 3.1Å; T314-H317 PolarHBondContact O-N 2.63Å; Y315-H317 VanDerWaalsContact C-N 3.31Å; Y315-H317 PolarHBondContact O-N 3.24Å; H317-Y487 PolarHBondContact CD2-O 2.93Å; H317-G488 PolarHBondContact NE2-O 3.44Å
318S93Very high92.4Very high53 Ų5357.7 Ų57.737%0.37131%0.311SS..THydrogen-bonded Turntrans-87.4-2.4-172.372.20000115.1T314 Y315 L316T314-S318 VanDerWaalsContact O-CB 3.29Å; T314-S318 WeakPolarHBondContact O-CB 3.5Å; T314-S318 PolarHBondContact O-N 2.92Å; T314-S318 PolarHBondContact O-OG 2.97Å; Y315-S318 PolarHBondContact O-N 3.2Å; Y315-S318 PolarHBondContact O-OG 3.49Å; L316-S318 VanDerWaalsContact C-N 3.33Å
319R91Very high92.5Very high98 Ų9854.7 Ų54.737%0.3729%0.29SS..SBendtrans-127.3154.1-171-55.5-57.2163.1-142.37112.2Y315 E323 I324Y315-R319 HydrophobicContact CD1-CG 4.48Å; Y315-R319 HydrophobicContact CE1-CG 4.18Å; Y315-R319 HydrophobicContact CE2-CG 4.34Å; Y315-R319 WeakPolarHBondContact O-CG 3.47Å; R319-E323 WeakPolarHBondContact CA-OE2 3.49Å; R319-E323 HydrophobicContact CB-CB 4.03Å; R319-E323 WeakPolarHBondContact CB-OE2 3.26Å; R319-E323 WeakPolarHBondContact CD-OE1 3.14Å; R319-E323 VanDerWaalsContact CD-OE2 3.3Å; R319-E323 WeakPolarHBondContact CD-OE2 3.35Å; R319-I324 HydrophobicContact CB-CD1 3.62Å; R319-I324 HydrophobicContact CB-CG1 3.83Å; R319-I324 HydrophobicContact CG-CD1 4.31Å; R319-I324 HydrophobicContact CG-CG1 4.43Å
320T88Confident92.5Very high75 Ų7552.5 Ų52.546%0.4628%0.278SS..  trans-78.7167.4175.367.40000111.3D322 E323 I324T320-D322 PolarHBondContact O-N 3.33Å; T320-E323 PolarHBondContact N-OE2 2.75Å; T320-E323 PolarHBondContact O-N 2.76Å; T320-E323 PolarHBondContact OG1-N 2.74Å; T320-I324 PolarHBondContact O-N 3.03Å
321R84.7Confident92.6Very high107 Ų10754 Ų5440%0.40428%0.276SS..THydrogen-bonded Turntrans-59.4-34.5174.4-64.2-169.8166.4173.2-5.9111.9E323 I324 Y487 E514 D515R321-E323 VanDerWaalsContact C-N 3.35Å; R321-E323 PolarHBondContact O-N 3.25Å; R321-I324 CarbonylContact O-C 3.5Å; R321-I324 PolarHBondContact O-N 2.91Å; R321-Y487 HydrophobicContact CB-CE1 4.19Å; R321-Y487 HydrophobicContact CG-CE1 3.93Å; R321-Y487 HydrophobicContact CG-CE2 3.92Å; R321-E514 IonicContact CZ-OE2 3.58Å; R321-E514 IonicContact NH1-OE2 3.49Å; R321-E514 PolarHBondContact NH1-OE2 3.43Å; R321-E514 IonicContact NH2-OE2 2.76Å; R321-E514 PolarHBondContact NH2-OE2 3.49Å; R321-D515 IonicContact NH1-OD2 3.88Å
322D84.1Confident92.7Very high145 Ų14553.1 Ų53.178%0.77527%0.27SS*.THydrogen-bonded Turntrans-71.4-29.2179.9-50.6-50000112.8T320T320-D322 PolarHBondContact O-N 3.33Å
323E88.3Confident92.7Very high78 Ų7853.1 Ų53.136%0.36427%0.27SS..THydrogen-bonded Turntrans-78.7-24.8176.7-74.3-17395.200113.3R319 T320 R321 K364R319-E323 WeakPolarHBondContact CA-OE2 3.49Å; R319-E323 HydrophobicContact CB-CB 4.03Å; R319-E323 WeakPolarHBondContact CB-OE2 3.26Å; R319-E323 WeakPolarHBondContact CD-OE1 3.14Å; R319-E323 VanDerWaalsContact CD-OE2 3.3Å; R319-E323 WeakPolarHBondContact CD-OE2 3.35Å; T320-E323 PolarHBondContact N-OE2 2.75Å; T320-E323 PolarHBondContact O-N 2.76Å; T320-E323 PolarHBondContact OG1-N 2.74Å; R321-E323 VanDerWaalsContact C-N 3.35Å; R321-E323 PolarHBondContact O-N 3.25Å; E323-K364 IonicContact OE1-NZ 3.13Å; E323-K364 PolarHBondContact OE1-NZ 3.23Å; E323-K364 VanDerWaalsContact OE1-NZ 3.13Å
324I90.7Very high92.8Very high0 Ų051.5 Ų51.50%026%0.261CS..SBendtrans-111.981.3179.9-55.8166.3000108.6Y315 L316 R319 T320 R321 T328 K329 Y487Y315-I324 HydrophobicContact CE1-CD1 4.43Å; Y315-I324 HydrophobicContact CE1-CG1 4.21Å; L316-I324 HydrophobicContact CD2-CD1 3.84Å; L316-I324 HydrophobicContact CD2-CG2 4.32Å; R319-I324 HydrophobicContact CB-CD1 3.62Å; R319-I324 HydrophobicContact CB-CG1 3.83Å; R319-I324 HydrophobicContact CG-CD1 4.31Å; R319-I324 HydrophobicContact CG-CG1 4.43Å; T320-I324 PolarHBondContact O-N 3.03Å; R321-I324 CarbonylContact O-C 3.5Å; R321-I324 PolarHBondContact O-N 2.91Å; I324-T328 HydrophobicContact CG2-CG2 4.39Å; I324-K329 HydrophobicContact CG2-CG 3.78Å; I324-Y487 HydrophobicContact CB-CE1 4.1Å; I324-Y487 HydrophobicContact CD1-CD1 4.13Å; I324-Y487 HydrophobicContact CG2-CE1 4.47Å
325T91.3Very high92.9Very high66 Ų6647.8 Ų47.841%0.40524%0.238SC..  trans-64.2159.7177.164.60000112.1L327 T328 K329T325-L327 PolarHBondContact O-N 3.15Å; T325-T328 WeakPolarHBondContact O-CA 3.31Å; T325-T328 VanDerWaalsContact O-CB 3.32Å; T325-T328 WeakPolarHBondContact O-CB 3.24Å; T325-T328 PolarHBondContact O-N 3.37Å; T325-T328 PolarHBondContact OG1-N 2.98Å; T325-T328 PolarHBondContact OG1-OG1 2.96Å; T325-K329 PolarHBondContact O-N 3.32Å
326E90.3Very high93Very high59 Ų5947.2 Ų47.228%0.27624%0.236SC..Hα-helixtrans-53.8-39.6172.2-68.6-52.7118.200112.3T328 K329 L330 Y485E326-T328 VanDerWaalsContact C-N 3.28Å; E326-T328 PolarHBondContact O-N 2.93Å; E326-K329 PolarHBondContact O-N 3.29Å; E326-K329 WeakPolarHBondContact OE1-CE 3.46Å; E326-K329 IonicContact OE1-NZ 2.67Å; E326-K329 PolarHBondContact OE1-NZ 3.44Å; E326-L330 WeakPolarHBondContact O-CB 3.39Å; E326-L330 PolarHBondContact O-N 2.84Å; E326-Y485 VanDerWaalsContact OE2-CE1 3.3Å; E326-Y485 WeakPolarHBondContact OE2-CE1 3.29Å
327L91.1Very high93.2Very high75 Ų7547.1 Ų47.139%0.39324%0.235SC..Hα-helixtrans-60.5-38.6175.4-171.266000112T325 K331 H549 I552T325-L327 PolarHBondContact O-N 3.15Å; L327-K331 WeakPolarHBondContact O-CB 3.19Å; L327-K331 PolarHBondContact O-N 3.14Å; L327-H549 WeakPolarHBondContact CD1-CE1 3.33Å; L327-I552 HydrophobicContact CD1-CG2 4.35Å
328T93.4Very high93.4Very high35 Ų3544.2 Ų44.222%0.21522%0.22CC..Hα-helixtrans-68.1-43.9177.1-54.90000111.3I324 T325 E326 L330 K331 F332I324-T328 HydrophobicContact CG2-CG2 4.39Å; T325-T328 WeakPolarHBondContact O-CA 3.31Å; T325-T328 VanDerWaalsContact O-CB 3.32Å; T325-T328 WeakPolarHBondContact O-CB 3.24Å; T325-T328 PolarHBondContact O-N 3.37Å; T325-T328 PolarHBondContact OG1-N 2.98Å; T325-T328 PolarHBondContact OG1-OG1 2.96Å; E326-T328 VanDerWaalsContact C-N 3.28Å; E326-T328 PolarHBondContact O-N 2.93Å; T328-L330 VanDerWaalsContact C-N 3.32Å; T328-L330 PolarHBondContact O-N 3.45Å; T328-K331 PolarHBondContact O-N 2.73Å; T328-F332 HydrophobicContact CG2-CD2 4.19Å; T328-F332 HydrophobicContact CG2-CE1 4.47Å; T328-F332 HydrophobicContact CG2-CE2 3.61Å; T328-F332 HydrophobicContact CG2-CZ 3.77Å; T328-F332 WeakPolarHBondContact O-CG 3.49Å; T328-F332 PolarHBondContact O-N 3.12Å
329K95.2Very high93.6Very high1 Ų141.7 Ų41.70%0.00420%0.202CC..Hα-helixtrans-59.1-45.1175.3-64.8176.5-170.4168.40111.4I324 T325 E326 F332 S333 I484 Y485 Y487I324-K329 HydrophobicContact CG2-CG 3.78Å; T325-K329 PolarHBondContact O-N 3.32Å; E326-K329 PolarHBondContact O-N 3.29Å; E326-K329 WeakPolarHBondContact OE1-CE 3.46Å; E326-K329 IonicContact OE1-NZ 2.67Å; E326-K329 PolarHBondContact OE1-NZ 3.44Å; K329-F332 PolarHBondContact O-N 3.44Å; K329-S333 PolarHBondContact O-N 2.95Å; K329-S333 PolarHBondContact O-OG 3.43Å; K329-I484 HydrophobicContact CB-CG2 3.72Å; K329-I484 HydrophobicContact CG-CG2 3.99Å; K329-Y485 HydrophobicContact CB-CE1 4.19Å; K329-Y485 HydrophobicContact CB-CE2 4.24Å; K329-Y485 HydrophobicContact CD-CD1 3.91Å; K329-Y485 HydrophobicContact CD-CE1 4.08Å; K329-Y485 HydrophobicContact CD-CG 4.34Å; K329-Y487 VanDerWaalsContact NZ-CZ 3.27Å; K329-Y487 PolarHBondContact NZ-OH 2.98Å
330L95.4Very high94Very high2 Ų237.1 Ų37.11%0.0119%0.185CC..Hα-helixtrans-67.5-39.5179.3-171.359.8000111.9E326 T328 S333 I334 L545 L548 H549 I552E326-L330 WeakPolarHBondContact O-CB 3.39Å; E326-L330 PolarHBondContact O-N 2.84Å; T328-L330 VanDerWaalsContact C-N 3.32Å; T328-L330 PolarHBondContact O-N 3.45Å; L330-S333 WeakPolarHBondContact O-CB 3.41Å; L330-S333 PolarHBondContact O-N 3.16Å; L330-I334 HydrophobicContact CD1-CD1 4.44Å; L330-I334 HydrophobicContact CG-CD1 3.98Å; L330-I334 WeakPolarHBondContact O-CG1 3.5Å; L330-I334 PolarHBondContact O-N 3.21Å; L330-L545 HydrophobicContact CD1-CB 4.28Å; L330-L545 HydrophobicContact CD1-CD2 3.81Å; L330-L548 HydrophobicContact CD1-CB 4.4Å; L330-L548 HydrophobicContact CD2-CB 3.98Å; L330-H549 HydrophobicContact CD2-CB 3.69Å; L330-H549 HydrophobicContact CG-CB 4.34Å; L330-I552 HydrophobicContact CD2-CD1 3.55Å
331K95.6Very high94.5Very high61 Ų6133.8 Ų33.827%0.26516%0.164SC..Hα-helixtrans-58.5-48.7173.8179.2170.2-177.4163.80112.1L327 T328 S333 I334 D335 L367L327-K331 WeakPolarHBondContact O-CB 3.19Å; L327-K331 PolarHBondContact O-N 3.14Å; T328-K331 PolarHBondContact O-N 2.73Å; K331-S333 VanDerWaalsContact C-N 3.28Å; K331-S333 PolarHBondContact O-N 2.86Å; K331-I334 PolarHBondContact O-N 2.54Å; K331-D335 WeakPolarHBondContact O-CB 3.43Å; K331-D335 PolarHBondContact O-N 2.92Å; K331-L367 WeakPolarHBondContact CE-O 3.5Å
332F97.4Very high95.2Very high1 Ų128.9 Ų28.90%0.00415%0.146CC..Hα-helixtrans-60.9-39.1175.8-65.5-30.4000112.3L312 Y315 T328 K329 V336 L360 L367 A369 I484L312-F332 HydrophobicContact CD1-CD2 3.52Å; L312-F332 HydrophobicContact CD1-CE2 3.7Å; L312-F332 HydrophobicContact CD1-CG 4.07Å; L312-F332 HydrophobicContact CD1-CZ 4.39Å; Y315-F332 HydrophobicContact CD1-CE2 4.18Å; Y315-F332 HydrophobicContact CD1-CZ 4.33Å; Y315-F332 HydrophobicContact CE1-CE2 4.04Å; Y315-F332 HydrophobicContact CE1-CZ 4.04Å; T328-F332 HydrophobicContact CG2-CD2 4.19Å; T328-F332 HydrophobicContact CG2-CE1 4.47Å; T328-F332 HydrophobicContact CG2-CE2 3.61Å; T328-F332 HydrophobicContact CG2-CZ 3.77Å; T328-F332 WeakPolarHBondContact O-CG 3.49Å; T328-F332 PolarHBondContact O-N 3.12Å; K329-F332 PolarHBondContact O-N 3.44Å; F332-V336 WeakPolarHBondContact O-CG2 3.4Å; F332-V336 PolarHBondContact O-N 2.89Å; F332-L360 HydrophobicContact CD1-CD2 4.02Å; F332-L360 HydrophobicContact CE1-CD1 4.39Å; F332-L360 HydrophobicContact CE1-CD2 3.66Å; F332-L360 HydrophobicContact CZ-CD1 4.02Å; F332-L360 HydrophobicContact CZ-CD2 4.1Å; F332-L367 HydrophobicContact CE1-CB 3.91Å; F332-L367 HydrophobicContact CZ-CB 4.28Å; F332-L367 HydrophobicContact CZ-CD1 4.25Å; F332-A369 HydrophobicContact CB-CB 4.42Å; F332-A369 HydrophobicContact CD1-CB 3.99Å; F332-I484 HydrophobicContact CB-CD1 4.42Å
333S98.3Very high95.8Very high0 Ų022.1 Ų22.10%011%0.11CC..Hα-helixtrans-61.1-46.1176.4-54.90000111.5K329 L330 K331 C337 L481K329-S333 PolarHBondContact O-N 2.95Å; K329-S333 PolarHBondContact O-OG 3.43Å; L330-S333 WeakPolarHBondContact O-CB 3.41Å; L330-S333 PolarHBondContact O-N 3.16Å; K331-S333 VanDerWaalsContact C-N 3.28Å; K331-S333 PolarHBondContact O-N 2.86Å; S333-C337 VanDerWaalsContact O-CB 3.27Å; S333-C337 WeakPolarHBondContact O-CB 3.5Å; S333-C337 PolarHBondContact O-N 3.15Å; S333-L481 VanDerWaalsContact OG-CD2 3.29Å; S333-L481 WeakPolarHBondContact OG-CD2 3.45Å
334I98.3Very high96.2Very high6 Ų620 Ų203%0.03110%0.1CC..Hα-helixtrans-64.7-47.7178.3-71163.4000111.2L330 K331 V336 C337 R338 L542 L545 L546 H549L330-I334 HydrophobicContact CD1-CD1 4.44Å; L330-I334 HydrophobicContact CG-CD1 3.98Å; L330-I334 WeakPolarHBondContact O-CG1 3.5Å; L330-I334 PolarHBondContact O-N 3.21Å; K331-I334 PolarHBondContact O-N 2.54Å; I334-V336 PolarHBondContact O-N 3.1Å; I334-C337 PolarHBondContact O-N 2.9Å; I334-R338 HydrophobicContact CG2-CG 4.44Å; I334-R338 WeakPolarHBondContact O-CG 3.46Å; I334-R338 PolarHBondContact O-N 3.27Å; I334-L542 HydrophobicContact CG2-CD1 4.06Å; I334-L545 HydrophobicContact CD1-CB 4.5Å; I334-L545 HydrophobicContact CG1-CB 3.73Å; I334-L546 HydrophobicContact CD1-CD2 4.17Å; I334-L546 HydrophobicContact CG1-CD2 4.49Å; I334-L546 HydrophobicContact CG2-CD2 3.98Å; I334-H549 HydrophobicContact CD1-CB 3.76Å
335D98.4Very high96.4Very high10 Ų1023.6 Ų23.65%0.05312%0.117CC..Hα-helixtrans-57.3-49.2-180-84.1-11.4000111.3N285 K331 R338 G339 I368 A369N285-D335 WeakPolarHBondContact CB-O 3.22Å; N285-D335 WeakPolarHBondContact ND2-CA 3.1Å; N285-D335 VanDerWaalsContact ND2-CB 3.31Å; N285-D335 WeakPolarHBondContact ND2-CB 3.31Å; N285-D335 PolarHBondContact ND2-O 3.28Å; N285-D335 PolarHBondContact ND2-OD1 3.18Å; K331-D335 WeakPolarHBondContact O-CB 3.43Å; K331-D335 PolarHBondContact O-N 2.92Å; D335-R338 PolarHBondContact O-N 3.19Å; D335-G339 PolarHBondContact O-N 2.93Å; D335-I368 WeakPolarHBondContact OD2-CA 3.5Å; D335-A369 HydrophobicContact CB-CB 3.78Å; D335-A369 PolarHBondContact OD2-N 2.87Å
336V98.8Very high96.5Very high0 Ų022.5 Ų22.50%011%0.105CC..Hα-helixtrans-63.4-45.3176.8174.70000110.8F332 I334 R338 G339 L340 V358 A369 V371 F477 L480F332-V336 WeakPolarHBondContact O-CG2 3.4Å; F332-V336 PolarHBondContact O-N 2.89Å; I334-V336 PolarHBondContact O-N 3.1Å; V336-R338 VanDerWaalsContact C-N 3.3Å; V336-R338 PolarHBondContact O-N 3.27Å; V336-G339 WeakPolarHBondContact O-CA 3.43Å; V336-G339 PolarHBondContact O-N 3.12Å; V336-L340 HydrophobicContact CG1-CD1 3.93Å; V336-L340 HydrophobicContact CG1-CG 4.25Å; V336-L340 WeakPolarHBondContact O-CG 3.15Å; V336-L340 PolarHBondContact O-N 2.81Å; V336-V358 HydrophobicContact CG2-CB 4.47Å; V336-V358 HydrophobicContact CG2-CG1 3.72Å; V336-V358 HydrophobicContact CG2-CG2 3.84Å; V336-A369 HydrophobicContact CG2-CB 4Å; V336-V371 HydrophobicContact CB-CG2 4.48Å; V336-V371 HydrophobicContact CG1-CG2 3.8Å; V336-F477 HydrophobicContact CB-CE2 4.02Å; V336-F477 HydrophobicContact CG1-CD2 3.97Å; V336-F477 HydrophobicContact CG1-CE2 3.68Å; V336-L480 HydrophobicContact CB-CD2 4.31Å; V336-L480 HydrophobicContact CG1-CD2 3.65Å; V336-L480 HydrophobicContact CG2-CD2 4.3Å
337C98.8Very high96.6Very high0 Ų022 Ų220%011%0.105CC..Hα-helixtrans-59.8-38.7180-164.50000112.4S333 I334 G339 L340 V341 F477 F538 L542 L545S333-C337 VanDerWaalsContact O-CB 3.27Å; S333-C337 WeakPolarHBondContact O-CB 3.5Å; S333-C337 PolarHBondContact O-N 3.15Å; I334-C337 PolarHBondContact O-N 2.9Å; C337-G339 VanDerWaalsContact C-N 3.32Å; C337-G339 PolarHBondContact O-N 3.34Å; C337-L340 PolarHBondContact O-N 2.82Å; C337-L340 VanDerWaalsContact O-N 3.13Å; C337-V341 WeakPolarHBondContact O-CG2 3.18Å; C337-V341 PolarHBondContact O-N 2.77Å; C337-F477 HydrophobicContact CB-CE1 4.28Å; C337-F477 HydrophobicContact CB-CE2 4.37Å; C337-F477 HydrophobicContact CB-CZ 3.78Å; C337-F538 PolarHBondContact SG-O 2.78Å; C337-L542 HydrophobicContact CB-CD1 4.24Å; C337-L545 HydrophobicContact CB-CD1 4.03Å
338R98.7Very high96.8Very high57 Ų5719 Ų1922%0.2159%0.088CC..Hα-helixtrans-59-42.9173.2-75.5172.9164.7158.1-7.8111.9I334 D335 V336 L340 Y342 L542 I653I334-R338 HydrophobicContact CG2-CG 4.44Å; I334-R338 WeakPolarHBondContact O-CG 3.46Å; I334-R338 PolarHBondContact O-N 3.27Å; D335-R338 PolarHBondContact O-N 3.19Å; V336-R338 VanDerWaalsContact C-N 3.3Å; V336-R338 PolarHBondContact O-N 3.27Å; R338-L340 VanDerWaalsContact C-N 3.32Å; R338-L340 PolarHBondContact O-N 2.66Å; R338-Y342 PolarHBondContact O-N 2.86Å; R338-L542 HydrophobicContact CG-CD1 3.87Å; R338-L542 HydrophobicContact CG-CD2 4Å; R338-I653 PolarHBondContact NH2-O 3.34Å
339G98.6Very high96.9Very high0 Ų017.4 Ų17.40%08%0.078CC..Hα-helixtrans-61.6-38.4173.600000113D335 V336 C337 Y342 L343D335-G339 PolarHBondContact O-N 2.93Å; V336-G339 WeakPolarHBondContact O-CA 3.43Å; V336-G339 PolarHBondContact O-N 3.12Å; C337-G339 VanDerWaalsContact C-N 3.32Å; C337-G339 PolarHBondContact O-N 3.34Å; G339-Y342 WeakPolarHBondContact O-CB 3.35Å; G339-Y342 PolarHBondContact O-N 2.94Å; G339-L343 WeakPolarHBondContact O-CG 3.29Å; G339-L343 PolarHBondContact O-N 3.01Å
340L98.7Very high96.9Very high2 Ų217.3 Ų17.31%0.018%0.078CC..Hα-helixtrans-76.2-34-179.8-61.1178.3000113.3V336 C337 R338 Y342 L343 E344 I353 V371 F477 F538V336-L340 HydrophobicContact CG1-CD1 3.93Å; V336-L340 HydrophobicContact CG1-CG 4.25Å; V336-L340 WeakPolarHBondContact O-CG 3.15Å; V336-L340 PolarHBondContact O-N 2.81Å; C337-L340 PolarHBondContact O-N 2.82Å; C337-L340 VanDerWaalsContact O-N 3.13Å; R338-L340 VanDerWaalsContact C-N 3.32Å; R338-L340 PolarHBondContact O-N 2.66Å; L340-Y342 VanDerWaalsContact C-N 3.29Å; L340-Y342 PolarHBondContact O-N 2.95Å; L340-L343 HydrophobicContact CD2-CD1 4.09Å; L340-L343 PolarHBondContact O-N 2.85Å; L340-E344 WeakPolarHBondContact O-CB 3.24Å; L340-E344 PolarHBondContact O-N 2.81Å; L340-I353 HydrophobicContact CD1-CG2 4.35Å; L340-I353 HydrophobicContact CD2-CD1 3.54Å; L340-I353 HydrophobicContact CD2-CG1 4.08Å; L340-V371 HydrophobicContact CD2-CG2 4.45Å; L340-F477 HydrophobicContact CD1-CB 4.04Å; L340-F477 HydrophobicContact CD1-CD2 3.48Å; L340-F477 VanDerWaalsContact CD1-CD2 3.48Å; L340-F477 HydrophobicContact CD1-CE2 4.2Å; L340-F477 HydrophobicContact CD1-CG 3.9Å; L340-F538 HydrophobicContact CB-CD1 3.6Å; L340-F538 HydrophobicContact CB-CD2 4.01Å; L340-F538 HydrophobicContact CB-CE1 3.58Å; L340-F538 HydrophobicContact CB-CE2 3.97Å; L340-F538 HydrophobicContact CB-CG 3.82Å; L340-F538 HydrophobicContact CB-CZ 3.75Å; L340-F538 HydrophobicContact CD1-CD1 4.09Å; L340-F538 HydrophobicContact CD1-CE1 3.32Å; L340-F538 HydrophobicContact CD1-CZ 3.62Å; L340-F538 HydrophobicContact CG-CD1 4.48Å; L340-F538 HydrophobicContact CG-CE1 4.04Å; L340-F538 HydrophobicContact CG-CZ 4.18Å
341V98.6Very high96.9Very high4 Ų417.8 Ų17.82%0.0248%0.079CC..Hα-helixtrans-56.4-46.5167.7170.20000110.2C337 L343 E344 E345 F538 V539 L542C337-V341 WeakPolarHBondContact O-CG2 3.18Å; C337-V341 PolarHBondContact O-N 2.77Å; V341-L343 VanDerWaalsContact C-N 3.28Å; V341-L343 PolarHBondContact O-N 2.82Å; V341-E344 PolarHBondContact O-N 3.15Å; V341-E345 HydrophobicContact CG1-CG 4.24Å; V341-E345 WeakPolarHBondContact O-CB 3.14Å; V341-E345 WeakPolarHBondContact O-CG 3.35Å; V341-E345 PolarHBondContact O-N 3.32Å; V341-F538 HydrophobicContact CB-CB 4.43Å; V341-F538 HydrophobicContact CG2-CB 3.61Å; V341-F538 WeakPolarHBondContact CG2-O 3.45Å; V341-V539 HydrophobicContact CG1-CG2 3.93Å; V341-V539 HydrophobicContact CG2-CG2 4.26Å; V341-L542 HydrophobicContact CG2-CB 4.27Å; V341-L542 HydrophobicContact CG2-CD2 4.02Å
342Y98.4Very high96.9Very high4 Ų415.8 Ų15.82%0.0167%0.072CC..Hα-helixtrans-59.1-38.7178.5171.6-78.6000112.9K280 L281 N282 H283 L286 R338 G339 L340 R346K280-Y342 PolarHBondContact O-OH 2.92Å; L281-Y342 HydrophobicContact CD2-CE1 4.14Å; N282-Y342 PolarHBondContact N-OH 3.47Å; N282-Y342 WeakPolarHBondContact O-CE2 3.47Å; H283-Y342 HydrophobicContact CB-CD1 4.14Å; H283-Y342 HydrophobicContact CB-CD2 3.68Å; H283-Y342 HydrophobicContact CB-CE1 4.41Å; H283-Y342 HydrophobicContact CB-CE2 3.87Å; H283-Y342 HydrophobicContact CB-CG 3.82Å; H283-Y342 AromaticContact CD2-CD2 3.46Å; H283-Y342 VanDerWaalsContact CD2-CD2 3.46Å; H283-Y342 WeakPolarHBondContact CD2-CD2 3.39Å; H283-Y342 AromaticContact CD2-CG 3.81Å; H283-Y342 AromaticContact CG-CD2 3.79Å; H283-Y342 AromaticContact CG-CG 3.85Å; L286-Y342 HydrophobicContact CD1-CD1 3.53Å; L286-Y342 HydrophobicContact CD1-CE1 3.77Å; L286-Y342 HydrophobicContact CD1-CG 4.39Å; R338-Y342 PolarHBondContact O-N 2.86Å; G339-Y342 WeakPolarHBondContact O-CB 3.35Å; G339-Y342 PolarHBondContact O-N 2.94Å; L340-Y342 VanDerWaalsContact C-N 3.29Å; L340-Y342 PolarHBondContact O-N 2.95Å; Y342-R346 VanDerWaalsContact CZ-NH2 3.26Å; Y342-R346 VanDerWaalsContact OH-CZ 3.27Å; Y342-R346 PolarHBondContact OH-NE 3.16Å; Y342-R346 PolarHBondContact OH-NH2 3.43Å
343L97.5Very high96.9Very high4 Ų415.9 Ų15.92%0.0217%0.072CC..Hα-helixtrans-71.3-44.6177.9-66.8179.7000111.3L281 L286 G339 L340 V341 R346 D347 F348 H350 F374L281-L343 HydrophobicContact CD1-CD2 4.3Å; L281-L343 HydrophobicContact CD2-CD2 3.75Å; L286-L343 HydrophobicContact CD1-CD2 3.88Å; L286-L343 HydrophobicContact CD1-CG 4.33Å; L286-L343 HydrophobicContact CD2-CD1 4.37Å; L286-L343 HydrophobicContact CD2-CG 4.42Å; G339-L343 WeakPolarHBondContact O-CG 3.29Å; G339-L343 PolarHBondContact O-N 3.01Å; L340-L343 HydrophobicContact CD2-CD1 4.09Å; L340-L343 PolarHBondContact O-N 2.85Å; V341-L343 VanDerWaalsContact C-N 3.28Å; V341-L343 PolarHBondContact O-N 2.82Å; L343-R346 CarbonylContact O-C 3.36Å; L343-R346 PolarHBondContact O-N 3.31Å; L343-R346 VanDerWaalsContact O-N 3.13Å; L343-D347 PolarHBondContact O-N 3.35Å; L343-F348 HydrophobicContact CB-CB 4.04Å; L343-F348 HydrophobicContact CD2-CB 3.87Å; L343-F348 HydrophobicContact CD2-CG 4.28Å; L343-F348 HydrophobicContact CG-CB 4.48Å; L343-F348 PolarHBondContact O-N 2.9Å; L343-H350 HydrophobicContact CD1-CB 4.29Å; L343-F374 HydrophobicContact CD1-CE1 4.34Å; L343-F374 HydrophobicContact CD2-CE1 4.5Å
344E96.2Very high96.9Very high34 Ų3415.9 Ų15.916%0.1597%0.073CC..Hα-helixtrans-59.3-46177-179175.6-122.900111.5L340 V341 R346 D347 T470 F538L340-E344 WeakPolarHBondContact O-CB 3.24Å; L340-E344 PolarHBondContact O-N 2.81Å; V341-E344 PolarHBondContact O-N 3.15Å; E344-R346 PolarHBondContact O-N 2.97Å; E344-D347 PolarHBondContact O-N 3.01Å; E344-T470 HydrophobicContact CB-CG2 4.45Å; E344-T470 HydrophobicContact CG-CG2 4.22Å; E344-F538 HydrophobicContact CB-CD2 4.08Å; E344-F538 WeakPolarHBondContact OE2-CB 3.49Å; E344-F538 PolarHBondContact OE2-N 3.17Å
345E95.1Very high96.9Very high74 Ų7415.6 Ų15.635%0.3467%0.071SC..THydrogen-bonded Turntrans-61.7-10.8177.5-76.3-178.417200114.4V341V341-E345 HydrophobicContact CG1-CG 4.24Å; V341-E345 WeakPolarHBondContact O-CB 3.14Å; V341-E345 WeakPolarHBondContact O-CG 3.35Å; V341-E345 PolarHBondContact O-N 3.32Å
346R94Very high96.8Very high44 Ų4419 Ų1917%0.1668%0.083CC..THydrogen-bonded Turntrans-125.215.6-176.9-75.1178.5167.881.3-21.6113Y342 L343 E344 F348Y342-R346 VanDerWaalsContact CZ-NH2 3.26Å; Y342-R346 VanDerWaalsContact OH-CZ 3.27Å; Y342-R346 PolarHBondContact OH-NE 3.16Å; Y342-R346 PolarHBondContact OH-NH2 3.43Å; L343-R346 CarbonylContact O-C 3.36Å; L343-R346 PolarHBondContact O-N 3.31Å; L343-R346 VanDerWaalsContact O-N 3.13Å; E344-R346 PolarHBondContact O-N 2.97Å; R346-F348 HydrophobicContact CB-CD2 3.54Å; R346-F348 HydrophobicContact CB-CE2 3.77Å; R346-F348 VanDerWaalsContact O-CD2 3.28Å; R346-F348 WeakPolarHBondContact O-CD2 3.39Å; R346-F348 PolarHBondContact O-N 3.23Å
347D92.9Very high96.7Very high49 Ų4919.6 Ų19.626%0.2629%0.086SC..THydrogen-bonded Turntrans56.937176.5-56.6-56.9000112.6L343 E344 L380 H381 L442L343-D347 PolarHBondContact O-N 3.35Å; E344-D347 PolarHBondContact O-N 3.01Å; D347-L380 HydrophobicContact CB-CB 3.95Å; D347-L380 HydrophobicContact CB-CD1 4.02Å; D347-L380 HydrophobicContact CB-CG 4.43Å; D347-L380 WeakPolarHBondContact O-CB 3.41Å; D347-L380 WeakPolarHBondContact O-CG 3.24Å; D347-L380 PolarHBondContact O-N 3.1Å; D347-H381 IonicContact OD2-CE1 2.71Å; D347-H381 PolarHBondContact OD2-CE1 3.41Å; D347-H381 IonicContact OD2-NE2 3.68Å; D347-H381 PolarHBondContact OD2-NE2 3.41Å; D347-L442 HydrophobicContact CB-CD1 3.83Å; D347-L442 WeakPolarHBondContact OD1-CD1 3.44Å; D347-L442 VanDerWaalsContact OD2-CD1 3.28Å; D347-L442 WeakPolarHBondContact OD2-CD1 3.44Å
348F94.5Very high96.7Very high10 Ų1019.7 Ų19.74%0.0449%0.087CC..EExtended strand (participates in β ladder)trans-97.2138.9168.4-72.8-84.8000110.8L277 K280 L281 L343 R346 R378 D379L277-F348 HydrophobicContact CD1-CD1 4.15Å; L277-F348 HydrophobicContact CD1-CE1 4.14Å; L277-F348 HydrophobicContact CD2-CE1 4.44Å; L277-F348 HydrophobicContact CG-CD1 4.22Å; L277-F348 HydrophobicContact CG-CE1 3.87Å; K280-F348 HydrophobicContact CB-CZ 3.87Å; K280-F348 HydrophobicContact CD-CZ 4.03Å; L281-F348 HydrophobicContact CD2-CD1 4.22Å; L281-F348 HydrophobicContact CD2-CD2 3.98Å; L281-F348 HydrophobicContact CD2-CE1 4.11Å; L281-F348 HydrophobicContact CD2-CE2 3.88Å; L281-F348 HydrophobicContact CD2-CG 4.16Å; L281-F348 HydrophobicContact CD2-CZ 3.95Å; L343-F348 HydrophobicContact CB-CB 4.04Å; L343-F348 HydrophobicContact CD2-CB 3.87Å; L343-F348 HydrophobicContact CD2-CG 4.28Å; L343-F348 HydrophobicContact CG-CB 4.48Å; L343-F348 PolarHBondContact O-N 2.9Å; R346-F348 HydrophobicContact CB-CD2 3.54Å; R346-F348 HydrophobicContact CB-CE2 3.77Å; R346-F348 VanDerWaalsContact O-CD2 3.28Å; R346-F348 WeakPolarHBondContact O-CD2 3.39Å; R346-F348 PolarHBondContact O-N 3.23Å; F348-R378 WeakPolarHBondContact CA-O 3.32Å; F348-D379 HydrophobicContact CD1-CB 4.01Å; F348-D379 HydrophobicContact CE1-CB 3.55Å; F348-D379 HydrophobicContact CZ-CB 4.3Å
349I94.7Very high96.7Very high2 Ų219 Ų191%0.019%0.087CC..EExtended strand (participates in β ladder)trans-115.3125.6171.3-49.7167.7000107.7R351 A377 R378 L380 F468 T470 D473I349-R351 HydrophobicContact CB-CG 4.24Å; I349-R351 HydrophobicContact CG2-CG 3.56Å; I349-A377 CarbonylContact O-C 3.59Å; I349-A377 WeakPolarHBondContact O-CA 3.38Å; I349-A377 WeakPolarHBondContact O-CB 3.29Å; I349-R378 PolarHBondContact N-O 2.94Å; I349-R378 PolarHBondContact O-N 3Å; I349-L380 HydrophobicContact CD1-CD1 4.03Å; I349-L380 HydrophobicContact CD1-CD2 3.7Å; I349-L380 HydrophobicContact CD1-CG 4.05Å; I349-L380 HydrophobicContact CG1-CD1 4.17Å; I349-L380 HydrophobicContact CG1-CD2 4.45Å; I349-L380 HydrophobicContact CG1-CG 4.28Å; I349-F468 WeakPolarHBondContact CD1-O 3.39Å; I349-F468 HydrophobicContact CG2-CB 4.46Å; I349-T470 HydrophobicContact CG1-CG2 4.5Å; I349-D473 WeakPolarHBondContact CA-OD2 3.33Å; I349-D473 WeakPolarHBondContact CG2-OD2 3.44Å
350H96Very high96.6Very high0 Ų019 Ų190%09%0.087CC..  trans-79.5-41.2-178.8-168.9-60000112.7L343 D352 I353 V371 A372 D373 F374 A377 D473L343-H350 HydrophobicContact CD1-CB 4.29Å; H350-D352 PolarHBondContact ND1-N 3.3Å; H350-D352 PolarHBondContact O-N 2.91Å; H350-D352 VanDerWaalsContact O-N 3.12Å; H350-I353 HydrophobicContact CB-CD1 3.53Å; H350-I353 HydrophobicContact CB-CG1 3.97Å; H350-I353 VanDerWaalsContact CD2-CD1 3.44Å; H350-I353 WeakPolarHBondContact CD2-CD1 3.27Å; H350-V371 WeakPolarHBondContact CD2-CG1 3.34Å; H350-V371 VanDerWaalsContact NE2-CG1 3.27Å; H350-V371 WeakPolarHBondContact NE2-CG1 3.47Å; H350-A372 PolarHBondContact CE1-O 2.9Å; H350-A372 PolarHBondContact NE2-O 3.44Å; H350-D373 PolarHBondContact CE1-O 3.08Å; H350-F374 AromaticContact CD2-CD1 3.95Å; H350-F374 AromaticContact CD2-CE1 3.84Å; H350-A377 WeakPolarHBondContact O-CA 3.01Å; H350-A377 PolarHBondContact O-N 2.86Å; H350-D473 PolarHBondContact N-OD2 2.95Å
351R95Very high96.4Very high11 Ų1119.7 Ų19.74%0.0429%0.092CC..SBendtrans67.8-0.8177-54178.343.4-147.17.9116.9I349 M376 D449 F468 D473I349-R351 HydrophobicContact CB-CG 4.24Å; I349-R351 HydrophobicContact CG2-CG 3.56Å; R351-M376 HydrophobicContact CB-CB 4.29Å; R351-M376 VanDerWaalsContact CD-O 3.27Å; R351-M376 WeakPolarHBondContact CD-O 3.34Å; R351-M376 PolarHBondContact NH1-O 3.1Å; R351-D449 IonicContact NH2-OD1 2.96Å; R351-F468 HydrophobicContact CB-CD1 3.8Å; R351-F468 HydrophobicContact CB-CE1 4.03Å; R351-F468 HydrophobicContact CG-CB 4.02Å; R351-F468 HydrophobicContact CG-CD1 3.56Å; R351-F468 HydrophobicContact CG-CE1 4.27Å; R351-F468 HydrophobicContact CG-CG 3.97Å; R351-D473 WeakPolarHBondContact CA-OD1 3.47Å; R351-D473 PolarHBondContact N-OD1 3.42Å
352D95.5Very high96.1Very high19 Ų1921.2 Ų21.210%0.10211%0.108CC..  trans-147.748.4178-162.419000112.9H350 A354 R356 N357 P454H350-D352 PolarHBondContact ND1-N 3.3Å; H350-D352 PolarHBondContact O-N 2.91Å; H350-D352 VanDerWaalsContact O-N 3.12Å; D352-A354 PolarHBondContact O-N 3.33Å; D352-R356 IonicContact OD1-CZ 2.85Å; D352-R356 IonicContact OD1-NH2 3.2Å; D352-R356 PolarHBondContact OD1-NH2 3.05Å; D352-R356 IonicContact OD2-CZ 2.91Å; D352-R356 IonicContact OD2-NH2 3.4Å; D352-R356 PolarHBondContact OD2-NH2 3.03Å; D352-N357 PolarHBondContact O-ND2 3.25Å; D352-N357 PolarHBondContact OD2-ND2 3.21Å; D352-P454 WeakPolarHBondContact OD1-CG 3.44Å
353I98.4Very high95.6Very high3 Ų327.4 Ų27.42%0.01514%0.137CC..  trans-73.2118.3175.4-59-56000110L340 H350 V371 D473 L480L340-I353 HydrophobicContact CD1-CG2 4.35Å; L340-I353 HydrophobicContact CD2-CD1 3.54Å; L340-I353 HydrophobicContact CD2-CG1 4.08Å; H350-I353 HydrophobicContact CB-CD1 3.53Å; H350-I353 HydrophobicContact CB-CG1 3.97Å; H350-I353 VanDerWaalsContact CD2-CD1 3.44Å; H350-I353 WeakPolarHBondContact CD2-CD1 3.27Å; I353-V371 HydrophobicContact CD1-CG1 3.92Å; I353-D473 HydrophobicContact CG1-CB 4.45Å; I353-L480 HydrophobicContact CG2-CB 4.33Å; I353-L480 HydrophobicContact CG2-CD2 3.96Å
354A98.1Very high94.9Very high1 Ų132.1 Ų32.11%0.00816%0.158CC..SBendtrans-163.7161.7178.800000110.9D352 R356 N357 V358 W457D352-A354 PolarHBondContact O-N 3.33Å; A354-R356 HydrophobicContact CB-CG 4.07Å; A354-R356 PolarHBondContact O-N 3.28Å; A354-R356 VanDerWaalsContact O-N 3.13Å; A354-N357 PolarHBondContact O-N 3.32Å; A354-V358 PolarHBondContact O-N 3.45Å; A354-W457 HydrophobicContact CB-CD2 4.31Å; A354-W457 HydrophobicContact CB-CG 4.09Å
355A98.4Very high94.3Very high0 Ų035.9 Ų35.90%019%0.185CC..G310 helixtrans-61.9-26.7-177.700000113.6L313 N357 V358 L480 E483L313-A355 HydrophobicContact CB-CB 3.95Å; L313-A355 HydrophobicContact CD1-CB 4.31Å; L313-A355 PolarHBondContact N-O 3.5Å; L313-A355 VanDerWaalsContact N-O 3.1Å; A355-N357 VanDerWaalsContact C-N 3.27Å; A355-N357 PolarHBondContact O-N 3.22Å; A355-V358 PolarHBondContact O-N 3.41Å; A355-L480 HydrophobicContact CB-CD1 3.74Å; A355-E483 HydrophobicContact CB-CB 4.07Å; A355-E483 PolarHBondContact N-OE2 3.11Å
356R96.1Very high93.9Very high81 Ų8137.4 Ų37.431%0.30620%0.196SC..G310 helixtrans-68.4-25.517567179.4-173.2-79.1-4.4113.5L313 D352 A354L313-R356 HydrophobicContact CB-CB 4.48Å; L313-R356 HydrophobicContact CD2-CB 3.96Å; D352-R356 IonicContact OD1-CZ 2.85Å; D352-R356 IonicContact OD1-NH2 3.2Å; D352-R356 PolarHBondContact OD1-NH2 3.05Å; D352-R356 IonicContact OD2-CZ 2.91Å; D352-R356 IonicContact OD2-NH2 3.4Å; D352-R356 PolarHBondContact OD2-NH2 3.03Å; A354-R356 HydrophobicContact CB-CG 4.07Å; A354-R356 PolarHBondContact O-N 3.28Å; A354-R356 VanDerWaalsContact O-N 3.13Å
357N97.1Very high94Very high13 Ų1335.5 Ų35.57%0.0719%0.189CC..G310 helixtrans-102.617.8-179.1-68.3-10.9000111.7D352 A354 A355 A372 D373D352-N357 PolarHBondContact O-ND2 3.25Å; D352-N357 PolarHBondContact OD2-ND2 3.21Å; A354-N357 PolarHBondContact O-N 3.32Å; A355-N357 VanDerWaalsContact C-N 3.27Å; A355-N357 PolarHBondContact O-N 3.22Å; N357-A372 WeakPolarHBondContact O-CA 3.38Å; N357-A372 WeakPolarHBondContact O-CB 3.08Å; N357-A372 PolarHBondContact O-N 2.99Å; N357-D373 HydrophobicContact CB-CB 4.4Å
358V98.4Very high94.2Very high2 Ų236.3 Ų36.31%0.01219%0.192CC..EExtended strand (participates in β ladder)trans-113.7127.8168.5177.80000107.3S311 L312 V336 A354 A355 A369 K370 L480S311-V358 CarbonylContact C-O 3.57Å; S311-V358 VanDerWaalsContact CA-O 3.26Å; S311-V358 WeakPolarHBondContact CA-O 3.29Å; L312-V358 HydrophobicContact CB-CB 3.88Å; L312-V358 HydrophobicContact CB-CG1 3.91Å; L312-V358 HydrophobicContact CD2-CB 4.08Å; L312-V358 HydrophobicContact CD2-CG1 3.84Å; L312-V358 PolarHBondContact N-O 3.19Å; V336-V358 HydrophobicContact CG2-CB 4.47Å; V336-V358 HydrophobicContact CG2-CG1 3.72Å; V336-V358 HydrophobicContact CG2-CG2 3.84Å; A354-V358 PolarHBondContact O-N 3.45Å; A355-V358 PolarHBondContact O-N 3.41Å; V358-A369 HydrophobicContact CG1-CB 3.79Å; V358-K370 CarbonylContact C-O 3.58Å; V358-K370 WeakPolarHBondContact CA-O 3.39Å; V358-L480 HydrophobicContact CG2-CD1 4.49Å; V358-L480 HydrophobicContact CG2-CD2 4.11Å
359L98Very high94.4Very high43 Ų4335.8 Ų35.823%0.22519%0.19CC..EExtended strand (participates in β ladder)trans-111.3153178.5-62.4-173.9000110.8V287 L307 G310 K370 A372V287-L359 HydrophobicContact CG2-CB 4.41Å; V287-L359 HydrophobicContact CG2-CD1 4.14Å; L307-L359 HydrophobicContact CB-CB 4.12Å; L307-L359 HydrophobicContact CB-CD1 4.4Å; L307-L359 HydrophobicContact CD1-CB 3.32Å; L307-L359 HydrophobicContact CD1-CD1 3.93Å; L307-L359 HydrophobicContact CD1-CG 4.26Å; L307-L359 HydrophobicContact CG-CB 4.34Å; G310-L359 WeakPolarHBondContact O-CA 3.5Å; L359-K370 PolarHBondContact N-O 2.87Å; L359-K370 PolarHBondContact O-N 3.49Å; L359-A372 HydrophobicContact CD1-CB 3.96Å; L359-A372 HydrophobicContact CG-CB 3.8Å
360L97.7Very high94.5Very high0 Ų036.8 Ų36.80%020%0.195CC..EExtended strand (participates in β ladder)trans-110.1125.1-175.3-63.9-177000112N309 G310 L312 Y315 F332 L367 A369N309-L360 HydrophobicContact CB-CB 3.68Å; N309-L360 WeakPolarHBondContact CB-O 3.45Å; G310-L360 PolarHBondContact O-N 2.92Å; L312-L360 HydrophobicContact CB-CD2 4.5Å; L312-L360 HydrophobicContact CD1-CD1 4.25Å; L312-L360 HydrophobicContact CD1-CD2 4.27Å; Y315-L360 HydrophobicContact CD1-CD1 3.79Å; Y315-L360 HydrophobicContact CD2-CD1 3.71Å; Y315-L360 HydrophobicContact CE1-CD1 4.44Å; Y315-L360 HydrophobicContact CE2-CD1 4.37Å; Y315-L360 HydrophobicContact CG-CD1 3.38Å; F332-L360 HydrophobicContact CD1-CD2 4.02Å; F332-L360 HydrophobicContact CE1-CD1 4.39Å; F332-L360 HydrophobicContact CE1-CD2 3.66Å; F332-L360 HydrophobicContact CZ-CD1 4.02Å; F332-L360 HydrophobicContact CZ-CD2 4.1Å; L360-L367 HydrophobicContact CD1-CD1 4.43Å; L360-A369 HydrophobicContact CD2-CB 3.86Å
361S94.6Very high94.7Very high16 Ų1636.9 Ų36.911%0.11220%0.195CC..EExtended strand (participates in β ladder)trans-106.6170174.579.80000111.7L367 I368S361-L367 WeakPolarHBondContact O-CA 3.41Å; S361-I368 PolarHBondContact N-O 3.25Å; S361-I368 PolarHBondContact O-N 3.08Å; S361-I368 WeakPolarHBondContact OG-CB 3.39Å; S361-I368 PolarHBondContact OG-O 3.31Å
362G90.9Very high94.8Very high35 Ų3536.7 Ų36.736%0.36120%0.196SC..SBendtrans82.6-168.8178.200000114.1N309N309-G362 PolarHBondContact ND2-O 2.8Å
363Q88.2Confident94.7Very high134 Ų13438.5 Ų38.563%0.62621%0.206SC*.  trans-124.3151.7178.6-66-61.4-38.800108.9N366Q363-N366 CarbonylContact O-C 3.14Å; Q363-N366 VanDerWaalsContact O-CA 3.29Å; Q363-N366 WeakPolarHBondContact O-CA 3.47Å; Q363-N366 PolarHBondContact O-N 3.1Å
364K83.4Confident94.4Very high103 Ų10338.4 Ų38.445%0.44821%0.205SC..THydrogen-bonded Turntrans-58.3141.8172.8-68.5-173.8177.9-171.40109.9Y315 E323 L367Y315-K364 WeakPolarHBondContact OH-CE 3.45Å; E323-K364 IonicContact OE1-NZ 3.13Å; E323-K364 PolarHBondContact OE1-NZ 3.23Å; E323-K364 VanDerWaalsContact OE1-NZ 3.13Å; K364-L367 HydrophobicContact CG-CD1 4.23Å; K364-L367 HydrophobicContact CG-CG 4.41Å
365P82.5Confident93.9Very high114 Ų11439.3 Ų39.374%0.7421%0.214SC*.THydrogen-bonded Turncis-84-1.5-0.234.8-35.5000114.1L367P365-L367 PolarHBondContact O-N 3.45Å
366N88.2Confident93.3Very high105 Ų10541.8 Ų41.856%0.56123%0.227SC*.  trans-94.954.9-171.8-64-41.5000113.2Q363Q363-N366 CarbonylContact O-C 3.14Å; Q363-N366 VanDerWaalsContact O-CA 3.29Å; Q363-N366 WeakPolarHBondContact O-CA 3.47Å; Q363-N366 PolarHBondContact O-N 3.1Å
367L94.7Very high93.1Very high5 Ų538 Ų383%0.02621%0.213CC..  trans-71.1140.4171.2-64.9174.4000110.3N309 Y315 K331 F332 L360 S361 K364 P365N309-L367 HydrophobicContact CB-CD2 4.4Å; N309-L367 VanDerWaalsContact ND2-CD2 3.34Å; N309-L367 WeakPolarHBondContact ND2-CD2 3.45Å; Y315-L367 HydrophobicContact CD2-CD1 4.36Å; Y315-L367 HydrophobicContact CE1-CD1 4.23Å; Y315-L367 HydrophobicContact CE2-CD1 3.5Å; Y315-L367 VanDerWaalsContact CZ-CD1 3.43Å; Y315-L367 WeakPolarHBondContact OH-CD1 3.46Å; K331-L367 WeakPolarHBondContact CE-O 3.5Å; F332-L367 HydrophobicContact CE1-CB 3.91Å; F332-L367 HydrophobicContact CZ-CB 4.28Å; F332-L367 HydrophobicContact CZ-CD1 4.25Å; L360-L367 HydrophobicContact CD1-CD1 4.43Å; S361-L367 WeakPolarHBondContact O-CA 3.41Å; K364-L367 HydrophobicContact CG-CD1 4.23Å; K364-L367 HydrophobicContact CG-CG 4.41Å; P365-L367 PolarHBondContact O-N 3.45Å
368I97.2Very high92.8Very high65 Ų6538.7 Ų38.733%0.33321%0.214SC..EExtended strand (participates in β ladder)trans-121.1126.8176.9-60.4165.2000108.5D335 S361D335-I368 WeakPolarHBondContact OD2-CA 3.5Å; S361-I368 PolarHBondContact N-O 3.25Å; S361-I368 PolarHBondContact O-N 3.08Å; S361-I368 WeakPolarHBondContact OG-CB 3.39Å; S361-I368 PolarHBondContact OG-O 3.31Å
369A98.5Very high92.3Very high0 Ų039 Ų390%022%0.216CC..EExtended strand (participates in β ladder)trans-83.2135.9176.200000111.7N285 F332 D335 V336 V358 L360N285-A369 PolarHBondContact ND2-O 3.49Å; F332-A369 HydrophobicContact CB-CB 4.42Å; F332-A369 HydrophobicContact CD1-CB 3.99Å; D335-A369 HydrophobicContact CB-CB 3.78Å; D335-A369 PolarHBondContact OD2-N 2.87Å; V336-A369 HydrophobicContact CG2-CB 4Å; V358-A369 HydrophobicContact CG1-CB 3.79Å; L360-A369 HydrophobicContact CD2-CB 3.86Å
370K98.7Very high91.6Very high23 Ų2338.8 Ų38.810%0.122%0.215CC..EExtended strand (participates in β ladder)trans-130.3131.1178.5-56.6-164.3178.6-167.80111P284 N285 V287 E305 L307 V358 L359P284-K370 WeakPolarHBondContact O-CD 3.13Å; P284-K370 WeakPolarHBondContact O-CE 3.34Å; P284-K370 WeakPolarHBondContact O-CG 3Å; N285-K370 CarbonylContact O-C 3.43Å; N285-K370 VanDerWaalsContact O-CA 3.29Å; N285-K370 WeakPolarHBondContact O-CA 3.45Å; V287-K370 HydrophobicContact CG2-CB 4.01Å; E305-K370 VanDerWaalsContact CD-NZ 3.27Å; E305-K370 IonicContact OE1-NZ 2.6Å; E305-K370 PolarHBondContact OE1-NZ 3.01Å; E305-K370 IonicContact OE2-NZ 3.19Å; E305-K370 PolarHBondContact OE2-NZ 3.13Å; L307-K370 HydrophobicContact CD1-CB 4.34Å; L307-K370 HydrophobicContact CD1-CD 4.19Å; V358-K370 CarbonylContact C-O 3.58Å; V358-K370 WeakPolarHBondContact CA-O 3.39Å; L359-K370 PolarHBondContact N-O 2.87Å; L359-K370 PolarHBondContact O-N 3.49Å
371V98.6Very high90.9Very high1 Ų143.9 Ų43.91%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-72.7135.6175.2-174.70000110N285 L286 V287 V336 L340 H350 I353N285-V371 PolarHBondContact O-N 2.87Å; L286-V371 HydrophobicContact CD2-CB 3.73Å; L286-V371 HydrophobicContact CD2-CG2 4.2Å; V287-V371 WeakPolarHBondContact CG2-O 3.34Å; V287-V371 PolarHBondContact N-O 2.87Å; V336-V371 HydrophobicContact CB-CG2 4.48Å; V336-V371 HydrophobicContact CG1-CG2 3.8Å; L340-V371 HydrophobicContact CD2-CG2 4.45Å; H350-V371 WeakPolarHBondContact CD2-CG1 3.34Å; H350-V371 VanDerWaalsContact NE2-CG1 3.27Å; H350-V371 WeakPolarHBondContact NE2-CG1 3.47Å; I353-V371 HydrophobicContact CD1-CG1 3.92Å
372A97Very high90Very high8 Ų844.4 Ų44.47%0.06624%0.24CC..  trans-133.5172.5-173.700000111.5V287 H350 N357 L359V287-A372 HydrophobicContact CB-CB 4.21Å; V287-A372 HydrophobicContact CG2-CB 3.53Å; H350-A372 PolarHBondContact CE1-O 2.9Å; H350-A372 PolarHBondContact NE2-O 3.44Å; N357-A372 WeakPolarHBondContact O-CA 3.38Å; N357-A372 WeakPolarHBondContact O-CB 3.08Å; N357-A372 PolarHBondContact O-N 2.99Å; L359-A372 HydrophobicContact CD1-CB 3.96Å; L359-A372 HydrophobicContact CG-CB 3.8Å
373D93.4Very high88.6Confident56 Ų5648.7 Ų48.730%0.29925%0.254SS..  trans63.376.4176.7-153.27.5000114.8K260 H350 N357 G375K260-D373 IonicContact NZ-OD1 2.72Å; K260-D373 PolarHBondContact NZ-OD1 2.8Å; H350-D373 PolarHBondContact CE1-O 3.08Å; N357-D373 HydrophobicContact CB-CB 4.4Å; D373-G375 VanDerWaalsContact C-N 3.29Å; D373-G375 PolarHBondContact O-N 3.46Å
374F93.4Very high87.4Confident2 Ų244.9 Ų44.91%0.00924%0.242CC..G310 helixtrans-8913-179.9-58.2-85000113.3L277 M278 L281 L286 L343 H350 M376 A377L277-F374 HydrophobicContact CD2-CB 3.91Å; L277-F374 HydrophobicContact CD2-CD1 4.39Å; L277-F374 HydrophobicContact CD2-CG 4.33Å; M278-F374 HydrophobicContact CE-CD2 3.76Å; M278-F374 HydrophobicContact CE-CE2 4.12Å; M278-F374 HydrophobicContact CG-CB 4.05Å; M278-F374 HydrophobicContact CG-CD2 3.87Å; M278-F374 HydrophobicContact CG-CG 4.21Å; M278-F374 HydrophobicContact SD-CD2 4.08Å; L281-F374 HydrophobicContact CD1-CD1 3.54Å; L281-F374 HydrophobicContact CD1-CD2 4.25Å; L281-F374 HydrophobicContact CD1-CE1 3.45Å; L281-F374 VanDerWaalsContact CD1-CE1 3.45Å; L281-F374 HydrophobicContact CD1-CE2 4.16Å; L281-F374 HydrophobicContact CD1-CG 3.96Å; L281-F374 HydrophobicContact CD1-CZ 3.78Å; L286-F374 HydrophobicContact CB-CZ 4.23Å; L286-F374 HydrophobicContact CD2-CE1 4.46Å; L286-F374 HydrophobicContact CD2-CZ 4.12Å; L343-F374 HydrophobicContact CD1-CE1 4.34Å; L343-F374 HydrophobicContact CD2-CE1 4.5Å; H350-F374 AromaticContact CD2-CD1 3.95Å; H350-F374 AromaticContact CD2-CE1 3.84Å; F374-M376 PolarHBondContact O-N 3.06Å; F374-M376 VanDerWaalsContact O-N 3.16Å; F374-A377 HydrophobicContact CB-CB 3.89Å; F374-A377 HydrophobicContact CD1-CB 4.12Å; F374-A377 VanDerWaalsContact O-CB 3.26Å; F374-A377 WeakPolarHBondContact O-CB 3.44Å; F374-A377 PolarHBondContact O-N 3.37Å
375G87.7Confident86Confident19 Ų1941.9 Ų41.920%0.19623%0.231CC..G310 helixtrans-60.3-26.6-178.100000114E274 D373E274-G375 VanDerWaalsContact CD-CA 3.49Å; E274-G375 PolarHBondContact OE1-N 3.21Å; D373-G375 VanDerWaalsContact C-N 3.29Å; D373-G375 PolarHBondContact O-N 3.46Å
376M85.9Confident83.9Confident53 Ų5339.9 Ų39.926%0.26122%0.216SC..G310 helixtrans-97.4-9.6174.3-62.5-75.380.500113.5R351 F374 R378 A451R351-M376 HydrophobicContact CB-CB 4.29Å; R351-M376 VanDerWaalsContact CD-O 3.27Å; R351-M376 WeakPolarHBondContact CD-O 3.34Å; R351-M376 PolarHBondContact NH1-O 3.1Å; F374-M376 PolarHBondContact O-N 3.06Å; F374-M376 VanDerWaalsContact O-N 3.16Å; M376-R378 PolarHBondContact O-NH1 3.38Å; M376-A451 HydrophobicContact CE-CB 4.31Å; M376-A451 HydrophobicContact SD-CB 3.94Å
377A90.9Very high81.2Confident2 Ų237.8 Ų37.82%0.01721%0.208CC..  trans-65.1154.8-175.200000111.8Y273 L277 I349 H350 F374Y273-A377 VanDerWaalsContact CE1-O 3.31Å; Y273-A377 WeakPolarHBondContact CE1-O 3.35Å; L277-A377 HydrophobicContact CD1-CB 3.97Å; L277-A377 HydrophobicContact CD2-CB 4.1Å; I349-A377 CarbonylContact O-C 3.59Å; I349-A377 WeakPolarHBondContact O-CA 3.38Å; I349-A377 WeakPolarHBondContact O-CB 3.29Å; H350-A377 WeakPolarHBondContact O-CA 3.01Å; H350-A377 PolarHBondContact O-N 2.86Å; F374-A377 HydrophobicContact CB-CB 3.89Å; F374-A377 HydrophobicContact CD1-CB 4.12Å; F374-A377 VanDerWaalsContact O-CB 3.26Å; F374-A377 WeakPolarHBondContact O-CB 3.44Å; F374-A377 PolarHBondContact O-N 3.37Å
378R90.6Very high78.3Confident26 Ų2639.8 Ų39.810%0.09823%0.23CC..EExtended strand (participates in β ladder)trans-134.5138.6-178.4-65.2-72.1-178-88.93.2110.2Y273 F348 I349 M376 M445 D449Y273-R378 WeakPolarHBondContact OH-CA 3.33Å; F348-R378 WeakPolarHBondContact CA-O 3.32Å; I349-R378 PolarHBondContact N-O 2.94Å; I349-R378 PolarHBondContact O-N 3Å; M376-R378 PolarHBondContact O-NH1 3.38Å; R378-M445 HydrophobicContact CB-CE 3.93Å; R378-M445 HydrophobicContact CB-SD 4.25Å; R378-M445 HydrophobicContact CG-CE 3.62Å; R378-M445 HydrophobicContact CG-SD 4.24Å; R378-D449 IonicContact CZ-OD2 3.89Å; R378-D449 IonicContact NH2-OD2 2.79Å; R378-D449 PolarHBondContact NH2-OD2 2.94Å
379D87.6Confident75.1Confident8 Ų839.4 Ų39.44%0.04324%0.236CC..EExtended strand (participates in β ladder)trans-97.5113.5172-178.1-17.3000107.5Y273 L277 K280 F348 H381 D382Y273-D379 PolarHBondContact OH-N 3.17Å; L277-D379 HydrophobicContact CD1-CB 4.42Å; K280-D379 WeakPolarHBondContact CD-OD2 3.45Å; K280-D379 IonicContact NZ-OD2 3.63Å; K280-D379 PolarHBondContact NZ-OD2 3.06Å; F348-D379 HydrophobicContact CD1-CB 4.01Å; F348-D379 HydrophobicContact CE1-CB 3.55Å; F348-D379 HydrophobicContact CZ-CB 4.3Å; D379-H381 PolarHBondContact O-N 3.21Å; D379-H381 WeakPolarHBondContact OD1-CB 3.37Å; D379-H381 PolarHBondContact OD1-N 3.27Å; D379-D382 HydrophobicContact CB-CB 3.96Å; D379-D382 PolarHBondContact O-N 3.45Å; D379-D382 VanDerWaalsContact O-N 3.07Å
380L84.8Confident71.7Confident39 Ų3944.1 Ų44.120%0.20427%0.265CS..THydrogen-bonded Turntrans-69-14.2-177.5-67175.1000113.1D347 I349 M445D347-L380 HydrophobicContact CB-CB 3.95Å; D347-L380 HydrophobicContact CB-CD1 4.02Å; D347-L380 HydrophobicContact CB-CG 4.43Å; D347-L380 WeakPolarHBondContact O-CB 3.41Å; D347-L380 WeakPolarHBondContact O-CG 3.24Å; D347-L380 PolarHBondContact O-N 3.1Å; I349-L380 HydrophobicContact CD1-CD1 4.03Å; I349-L380 HydrophobicContact CD1-CD2 3.7Å; I349-L380 HydrophobicContact CD1-CG 4.05Å; I349-L380 HydrophobicContact CG1-CD1 4.17Å; I349-L380 HydrophobicContact CG1-CD2 4.45Å; I349-L380 HydrophobicContact CG1-CG 4.28Å; L380-M445 HydrophobicContact CD2-CB 4.35Å
381H81.5Confident68.5Low108 Ų10848.2 Ų48.250%0.530%0.297SS..THydrogen-bonded Turntrans-90.4-9.5172.7-59.7-55.6000113.4D347 D379 L383D347-H381 IonicContact OD2-CE1 2.71Å; D347-H381 PolarHBondContact OD2-CE1 3.41Å; D347-H381 IonicContact OD2-NE2 3.68Å; D347-H381 PolarHBondContact OD2-NE2 3.41Å; D379-H381 PolarHBondContact O-N 3.21Å; D379-H381 WeakPolarHBondContact OD1-CB 3.37Å; D379-H381 PolarHBondContact OD1-N 3.27Å; H381-L383 PolarHBondContact O-N 3.31Å
382D77.5Confident65.3Low27 Ų2755.8 Ų55.814%0.14434%0.337CS..  trans-77.790.7175.2-170.9-3000110.1R217 D379 S384 I385R217-D382 IonicContact NH2-OD2 3.9Å; R217-D382 PolarHBondContact NH2-OD2 3.42Å; R217-D382 VanDerWaalsContact NH2-OD2 3.08Å; D379-D382 HydrophobicContact CB-CB 3.96Å; D379-D382 PolarHBondContact O-N 3.45Å; D379-D382 VanDerWaalsContact O-N 3.07Å; D382-S384 PolarHBondContact O-N 3.41Å; D382-S384 VanDerWaalsContact OD1-CB 3.3Å; D382-S384 WeakPolarHBondContact OD1-CB 3.4Å; D382-S384 PolarHBondContact OD1-N 2.98Å; D382-S384 VanDerWaalsContact OD1-N 3.11Å; D382-S384 PolarHBondContact OD1-OG 3.08Å; D382-S384 PolarHBondContact OD2-OG 3.17Å; D382-I385 HydrophobicContact CB-CD1 3.79Å; D382-I385 HydrophobicContact CB-CG1 4.13Å; D382-I385 WeakPolarHBondContact O-CB 3.24Å; D382-I385 WeakPolarHBondContact O-CG1 3.38Å; D382-I385 PolarHBondContact O-N 3.1Å
383L61.2Low61.9Low125 Ų12564 Ų6465%0.65438%0.375SS*.G310 helixtrans-55.9-16.4177.8-64.2173.5000113.8H381 I385 V386 A389H381-L383 PolarHBondContact O-N 3.31Å; L383-I385 PolarHBondContact O-N 3.15Å; L383-V386 PolarHBondContact O-N 3.04Å; L383-A389 HydrophobicContact CD2-CB 4.41Å
384S62.9Low58.8Low54 Ų5467.8 Ų67.838%0.37840%0.399SS..G310 helixtrans-69.6-10.3174.871.20000113.8R217 D382R217-S384 PolarHBondContact NH2-OG 3.5Å; D382-S384 PolarHBondContact O-N 3.41Å; D382-S384 VanDerWaalsContact OD1-CB 3.3Å; D382-S384 WeakPolarHBondContact OD1-CB 3.4Å; D382-S384 PolarHBondContact OD1-N 2.98Å; D382-S384 VanDerWaalsContact OD1-N 3.11Å; D382-S384 PolarHBondContact OD1-OG 3.08Å; D382-S384 PolarHBondContact OD2-OG 3.17Å
385I53.6Low55.9Low40 Ų4073.4 Ų73.421%0.20544%0.439CS..G310 helixtrans-91.7-19179.8-53.6173.9000111.3Y273 D382 L383 P387 M445Y273-I385 HydrophobicContact CE2-CD1 3.62Å; Y273-I385 HydrophobicContact CE2-CG1 4.05Å; Y273-I385 WeakPolarHBondContact OH-CD1 3.4Å; D382-I385 HydrophobicContact CB-CD1 3.79Å; D382-I385 HydrophobicContact CB-CG1 4.13Å; D382-I385 WeakPolarHBondContact O-CB 3.24Å; D382-I385 WeakPolarHBondContact O-CG1 3.38Å; D382-I385 PolarHBondContact O-N 3.1Å; L383-I385 PolarHBondContact O-N 3.15Å; I385-P387 WeakPolarHBondContact O-CD 3.45Å; I385-M445 HydrophobicContact CG2-SD 3.56Å; I385-M445 VanDerWaalsContact CG2-SD 3.56Å
386V37.5Very low53.1Low71 Ų7184.1 Ų84.143%0.4347%0.474SS..SBendtrans-96.6111.7-176-170.80000109.9L383 G388 A389L383-V386 PolarHBondContact O-N 3.04Å; V386-G388 PolarHBondContact O-N 3.4Å; V386-A389 HydrophobicContact CB-CB 4.23Å; V386-A389 HydrophobicContact CG1-CB 4.15Å
387P33Very low50.5Low61 Ų6186.3 Ų86.340%0.39649%0.494SS..THydrogen-bonded Turntrans-63.5122.6168.3-11.726.8000109G94 I385G94-P387 VanDerWaalsContact O-CB 3.26Å; G94-P387 WeakPolarHBondContact O-CB 3.27Å; I385-P387 WeakPolarHBondContact O-CD 3.45Å
388G34.1Very low47.7Very low47 Ų4793 Ų9349%0.48553%0.53SS..THydrogen-bonded Turntrans98.44.1168.600000118.3V386 T390V386-G388 PolarHBondContact O-N 3.4Å; G388-T390 PolarHBondContact O-N 3.28Å
389A29.4Very low44.8Very low57 Ų5798.7 Ų98.747%0.47156%0.562SS.*  trans-7617.4-178.600000115.9L383 V386L383-A389 HydrophobicContact CD2-CB 4.41Å; V386-A389 HydrophobicContact CB-CB 4.23Å; V386-A389 HydrophobicContact CG1-CB 4.15Å
390T27.4Very low42Very low99 Ų99104.9 Ų104.961%0.60760%0.6SS**  trans-117.274.1175.552.90000111.9G388G388-T390 PolarHBondContact O-N 3.28Å
391S30.1Very low39.2Very low109 Ų109108.8 Ų108.876%0.76263%0.626SS**  trans-153.7120145.651.20000110.3
392N31Very low36.6Very low160 Ų160109.9 Ų109.986%0.85664%0.643SS**  trans-61.9143.9167.6-82.1-33000110T394N392-T394 PolarHBondContact O-N 2.9Å
393Q27.2Very low34.2Very low182 Ų182114.4 Ų114.485%0.8567%0.671SS**SBendtrans-18.6117.5162-60.6170.617.700114.1
394T28.6Very low32.6Very low134 Ų134114.5 Ų114.582%0.82267%0.672SS**  trans170.1145.9133.134.40000111.5N392N392-T394 PolarHBondContact O-N 2.9Å
395S32.2Very low30.9Very low121 Ų121116.7 Ų116.785%0.84668%0.683SS**  trans76.5107.2167.354.70000120.5
396R28.3Very low29.6Very low243 Ų243120 Ų12092%0.91770%0.7SS**  trans-48.1136.4158.3-69164.1166.9165-5.2112.9
397S31.1Very low29.1Very low99 Ų99124 Ų12469%0.69272%0.718SS**  150.5130.8112.7690000112.9
398N32.5Very low28.7Very low142 Ų142126.6 Ų126.676%0.75973%0.729SS**  trans83.997.6151.7-55.6-11.8000120
399N29.3Very low28.4Very low146 Ų146129.7 Ų129.778%0.78174%0.743SS**  trans62.1133.6133.3-66.1-9.3000121.9
400T28.3Very low28.6Very low138 Ų138132.5 Ų132.585%0.84776%0.756SS**  trans76.381.2170.966.10000117.3
401T25.9Very low28.5Very low121 Ų121135.1 Ų135.174%0.74277%0.766SS**SBendtrans-160143.1158.4-3.60000109.2T403T401-T403 PolarHBondContact O-N 3.49Å; T401-T403 VanDerWaalsContact O-N 3.08Å; T401-T403 PolarHBondContact O-OG1 3.31Å
402P28.5Very low28.4Very low132 Ų132134.2 Ų134.286%0.85776%0.76SS**  trans-62.7118.9177.72.98.9000108.3
403T27.2Very low28.3Very low121 Ų121133.1 Ų133.174%0.74275%0.754SS**  trans-81.1132.2-170.5-61.80000110.4T401 V405T401-T403 PolarHBondContact O-N 3.49Å; T401-T403 VanDerWaalsContact O-N 3.08Å; T401-T403 PolarHBondContact O-OG1 3.31Å; T403-V405 PolarHBondContact O-N 3.36Å
404L26.3Very low28.3Very low127 Ų127130 Ų13067%0.66575%0.747SS**  trans-46.3115.7158.4-102.696.4000109.5I406L404-I406 PolarHBondContact O-N 2.82Å
405V27.9Very low28.2Very low101 Ų101130.7 Ų130.761%0.61274%0.744SS**  trans-85.293.1170.9-174.80000108.3T403 L407T403-V405 PolarHBondContact O-N 3.36Å; V405-L407 HydrophobicContact CG1-CB 4.35Å; V405-L407 HydrophobicContact CG1-CD1 3.61Å; V405-L407 HydrophobicContact CG1-CG 3.64Å
406I26.5Very low28Very low110 Ų110131.8 Ų131.856%0.56474%0.736SS**  trans-85.3108.3155-59.5175.9000105.5L404L404-I406 PolarHBondContact O-N 2.82Å
407L26.4Very low28.1Very low154 Ų154127.9 Ų127.981%0.80673%0.726SS**  trans-108.993.8167-85.4165.7000108.5V405V405-L407 HydrophobicContact CG1-CB 4.35Å; V405-L407 HydrophobicContact CG1-CD1 3.61Å; V405-L407 HydrophobicContact CG1-CG 3.64Å
408N25.5Very low27.8Very low116 Ų116134.2 Ų134.262%0.6274%0.736SS**  trans-125.199.1157.7-99.3-9.5000108.1
409S26.2Very low27.9Very low112 Ų112132.4 Ų132.478%0.78373%0.732SS**  trans60.8170.9157-131.20000116.6
410P33.3Very low28Very low115 Ų115134.8 Ų134.875%0.74774%0.735SS**  cis-135.6-175.2331.8-7.5000115
411L25.9Very low28.2Very low154 Ų154132.6 Ų132.681%0.80672%0.723SS**  trans-34.8137171.5-87.884.1000116.5
412S27.6Very low28.6Very low91 Ų91133.2 Ų133.264%0.63672%0.722SS**  67.2152.8129.785.70000122.7
413D29.4Very low29Very low136 Ų136134.7 Ų134.773%0.72772%0.718SS**  trans93.6120.3165.2-51.3-10.2000113.3
414T27.7Very low29.3Very low116 Ų116136.8 Ų136.871%0.71272%0.719SS**  cis-174.8161.315.1-6.40000111.7
415I26.7Very low29.8Very low149 Ų149136.5 Ų136.576%0.76472%0.723SS**  trans82114.5150.7-59.6151.7000116.9
416E27.9Very low29.9Very low144 Ų144138.6 Ų138.667%0.67373%0.73SS**  -146140.857.2-79.5-165.9115.600116.5
417K29.1Very low30.3Very low162 Ų162145.1 Ų145.170%0.70475%0.748SS**  trans61.6105.1142.1-72.4170.1178.1138.90120.2
418Y25.7Very low30.4Very low232 Ų232146.2 Ų146.291%0.9175%0.749SS**  -160.1150.6103.2-93.1-79.5000109.2
419P33.9Very low30.7Very low103 Ų103144.9 Ų144.967%0.66975%0.749SS**  trans-104.6149.5-152.336.9-30.6000117.2
420K31.4Very low30.9Very low196 Ų196147.6 Ų147.685%0.85275%0.747SS**  trans81156.7138.8-79.3-178.5178.3-172.90120.9
421P33.9Very low30.7Very low92 Ų92150.2 Ų150.260%0.59775%0.749SS**  cis-149.8176-47.343.3-24000116.5
422D33.5Very low30.9Very low135 Ų135147.6 Ų147.672%0.72275%0.75SS**  trans98.2132.4142.9-56.9-28.8000125.5
423H37.4Very low31.2Very low163 Ų163148.3 Ų148.376%0.75576%0.761SS**  trans92.5101.8164.2-62.7-63.3000119.8
424E34Very low31.1Very low164 Ų164149.3 Ų149.377%0.76677%0.766SS**  59.3129.278.5-78.7-177.2151.900113.3
425T36.6Very low31.2Very low122 Ų122151.8 Ų151.875%0.74878%0.775SS**  cis-171.8160.7332.50000111.9
426D29.7Very low31.3Very low145 Ų145149.6 Ų149.678%0.77577%0.773SS**  trans-24.4149.2168.4-62.4-51.1000121.9
427R33.8Very low31.4Very low246 Ų246150.1 Ų150.193%0.92878%0.78SS**  177.6156.2104.3-94.4177.2-177.7168.91.9115.5
428Q30.5Very low31.5Very low177 Ų177149.7 Ų149.783%0.82779%0.786SS**  trans-84.5162.5-159.5-69.7159.6-12.900117.3
429S29.8Very low31.7Very low89 Ų89146 Ų14662%0.62278%0.782SS**  trans78.1120136.661.20000121
430F30.9Very low31.4Very low169 Ų169147 Ų14774%0.74179%0.787SS**  173.8127.196.6-101.6-86.9000112.4
431E28.8Very low31.5Very low170 Ų170141.5 Ų141.579%0.79477%0.773SS**  trans47120.6145-67.6171-174.800123.2
432A31.9Very low31.7Very low99 Ų99140.5 Ų140.582%0.81876%0.762SS**  169.8128.4106.500000114.6
433A31.8Very low31.8Very low106 Ų106138.3 Ų138.388%0.87675%0.75SS**  trans64.6108.2147.300000122
434N27.9Very low32.1Very low157 Ų157133.9 Ų133.984%0.8474%0.736SS**  trans-61138.7166.2-74.2-39.1000114.4
435N30.8Very low32.7Very low168 Ų168127 Ų12790%0.89870%0.704SS**  trans-148.7119.7139.9-117.5-12.4000110.1
436S28.8Very low33.4Very low103 Ų103125.1 Ų125.172%0.7269%0.692SS**  trans-76.4120.7-171.5-48.80000112.3
437N30.6Very low34.5Very low154 Ų154118.8 Ų118.882%0.82466%0.658SS**  trans-108.7103.4165.2-84.9-17.3000109.7N439N437-N439 PolarHBondContact O-N 2.81Å
438N29.7Very low35.1Very low153 Ų153113.8 Ų113.882%0.81865%0.645SS**  trans-75.2101167-81.3-21.1000109.3T440N438-T440 PolarHBondContact O-N 2.96Å
439N29.3Very low36.1Very low156 Ų156107.6 Ų107.683%0.83462%0.618SS**  trans-88.795.3163.3-83.5-11.8000108.9N437 S441N437-N439 PolarHBondContact O-N 2.81Å; N439-S441 PolarHBondContact O-N 2.59Å
440T29.6Very low37Very low124 Ų124111.2 Ų111.276%0.76163%0.63SS**  trans-73.3100166.942.60000109.5N438 L442N438-T440 PolarHBondContact O-N 2.96Å; T440-L442 PolarHBondContact O-N 2.91Å
441S31.7Very low38.3Very low80 Ų80104.2 Ų104.256%0.55960%0.604SS**  trans-65.3112.7168.1175.50000109.2N439N439-S441 PolarHBondContact O-N 2.59Å
442L39.2Very low40.3Very low71 Ų71100 Ų10037%0.37260%0.598SS.*PPolyproline II helixtrans-71.9133.5176.1-81.3153.4000110.4D347 T440D347-L442 HydrophobicContact CB-CD1 3.83Å; D347-L442 WeakPolarHBondContact OD1-CD1 3.44Å; D347-L442 VanDerWaalsContact OD2-CD1 3.28Å; D347-L442 WeakPolarHBondContact OD2-CD1 3.44Å; T440-L442 PolarHBondContact O-N 2.91Å
443N35.9Very low42.7Very low88 Ų8896.9 Ų96.947%0.47157%0.567SS.*PPolyproline II helixtrans-60.8138.9-173.7-74.3-32.8000112.6M445N443-M445 PolarHBondContact O-N 3.2Å
444P43.9Very low45.4Very low70 Ų7093.1 Ų93.146%0.45553%0.534SS..PPolyproline II helixtrans-58.9131.4172.620.8-29.3000111.7L467P444-L467 HydrophobicContact CB-CD1 3.3Å
445M46.5Very low48.5Very low19 Ų1988.5 Ų88.59%0.09451%0.509CS..EExtended strand (participates in β ladder)trans-90.1112.1-179.6-170.1-173.669.100110.7R378 L380 I385 N443 L447R378-M445 HydrophobicContact CB-CE 3.93Å; R378-M445 HydrophobicContact CB-SD 4.25Å; R378-M445 HydrophobicContact CG-CE 3.62Å; R378-M445 HydrophobicContact CG-SD 4.24Å; L380-M445 HydrophobicContact CD2-CB 4.35Å; I385-M445 HydrophobicContact CG2-SD 3.56Å; I385-M445 VanDerWaalsContact CG2-SD 3.56Å; N443-M445 PolarHBondContact O-N 3.2Å; M445-L447 HydrophobicContact CE-CD1 3.35Å; M445-L447 HydrophobicContact CE-CD2 3.87Å; M445-L447 HydrophobicContact CE-CG 3.51Å
446V50.2Low51.6Low84 Ų8481.4 Ų81.451%0.50947%0.47SS..EExtended strand (participates in β ladder)trans-85.1117168.5-178.80000108.3
447L52.6Low54.9Low12 Ų1278.1 Ų78.16%0.06344%0.442CS..  trans-85.3132177.5-82.3135.8000111.7M445 D449 R466 F468M445-L447 HydrophobicContact CE-CD1 3.35Å; M445-L447 HydrophobicContact CE-CD2 3.87Å; M445-L447 HydrophobicContact CE-CG 3.51Å; L447-D449 WeakPolarHBondContact CD2-OD1 3.29Å; L447-D449 VanDerWaalsContact CD2-OD2 3.32Å; L447-D449 WeakPolarHBondContact CD2-OD2 3.4Å; L447-R466 HydrophobicContact CB-CB 4.46Å; L447-R466 PolarHBondContact N-O 3.08Å; L447-F468 HydrophobicContact CD1-CB 4.12Å; L447-F468 HydrophobicContact CD1-CD2 3.27Å; L447-F468 HydrophobicContact CD1-CE2 3.89Å; L447-F468 HydrophobicContact CD1-CG 3.93Å
448H46.7Very low58Low141 Ų14171 Ų7165%0.65340%0.404SS*.  trans-100.45.1169.5-63.7-36.9000113.1
449D52Low61.2Low47 Ų4763.8 Ų63.825%0.25137%0.365SS..  trans-79.9133.8176.464.521000112.6R351 R378 L447 A451R351-D449 IonicContact NH2-OD1 2.96Å; R378-D449 IonicContact CZ-OD2 3.89Å; R378-D449 IonicContact NH2-OD2 2.79Å; R378-D449 PolarHBondContact NH2-OD2 2.94Å; L447-D449 WeakPolarHBondContact CD2-OD1 3.29Å; L447-D449 VanDerWaalsContact CD2-OD2 3.32Å; L447-D449 WeakPolarHBondContact CD2-OD2 3.4Å; D449-A451 PolarHBondContact O-N 3.18Å
450N48.1Very low64.4Low164 Ų16456.8 Ų56.888%0.87733%0.329SS*.  trans-74.827.9175.8-76.6-16.3000112.6A452N450-A452 PolarHBondContact O-N 3.46Å
451A58.5Low67.5Low23 Ų2351.4 Ų51.419%0.1930%0.295CS..PPolyproline II helixtrans-60.9139.8-179.600000110.6M376 D449 I453 R466M376-A451 HydrophobicContact CE-CB 4.31Å; M376-A451 HydrophobicContact SD-CB 3.94Å; D449-A451 PolarHBondContact O-N 3.18Å; A451-I453 PolarHBondContact O-N 3.47Å; A451-R466 PolarHBondContact O-NH1 3.07Å
452A71Confident70.4Confident82 Ų8247.6 Ų47.668%0.67827%0.268SS*.PPolyproline II helixtrans-61.4126.5175.200000109.6N450N450-A452 PolarHBondContact O-N 3.46Å
453I81.4Confident72.8Confident32 Ų3245.4 Ų45.416%0.16426%0.257CS..PPolyproline II helixtrans-94.3129.3-179.7-65.8-178.9000109.7A451 L455 T458 V463 F468A451-I453 PolarHBondContact O-N 3.47Å; I453-L455 HydrophobicContact CB-CD2 4.32Å; I453-L455 HydrophobicContact CG2-CD2 4.03Å; I453-L455 PolarHBondContact O-N 3.15Å; I453-T458 HydrophobicContact CG2-CG2 3.68Å; I453-T458 WeakPolarHBondContact CG2-OG1 3.3Å; I453-V463 HydrophobicContact CG2-CG2 4.27Å; I453-F468 HydrophobicContact CD1-CZ 4.33Å; I453-F468 HydrophobicContact CG1-CZ 4.43Å
454P89.6Confident75.3Confident28 Ų2847.9 Ų47.918%0.18226%0.26CS..  trans-74.276.3172.632.2-34.6000110.3D352 K456 W457 T458D352-P454 WeakPolarHBondContact OD1-CG 3.44Å; P454-K456 PolarHBondContact O-N 2.79Å; P454-W457 HydrophobicContact CB-CE3 4.2Å; P454-W457 PolarHBondContact O-N 2.9Å; P454-T458 PolarHBondContact O-N 3.04Å; P454-T458 VanDerWaalsContact O-N 3.15Å; P454-T458 PolarHBondContact O-OG1 3.23Å
455L92Very high77.3Confident60 Ų6048 Ų4831%0.31426%0.257SS..THydrogen-bonded Turntrans-49-33.6-167.7-65.7175.9000115.2I453 W457 V463 A497I453-L455 HydrophobicContact CB-CD2 4.32Å; I453-L455 HydrophobicContact CG2-CD2 4.03Å; I453-L455 PolarHBondContact O-N 3.15Å; L455-W457 VanDerWaalsContact C-N 3.35Å; L455-V463 HydrophobicContact CD2-CG1 3.71Å; L455-V463 HydrophobicContact CD2-CG2 4.16Å; L455-A497 HydrophobicContact CB-CB 4.2Å; L455-A497 HydrophobicContact CD1-CB 4.04Å
456K96.5Very high79.1Confident19 Ų1950.8 Ų50.88%0.08327%0.266CS..THydrogen-bonded Turntrans-75.4-19.2179.9-69.2-169164.3-158.50114.4P454 I490 P491 Y492 M495 A497 V500P454-K456 PolarHBondContact O-N 2.79Å; K456-I490 HydrophobicContact CD-CD1 4.4Å; K456-I490 HydrophobicContact CD-CG1 4.24Å; K456-P491 HydrophobicContact CB-CB 4.42Å; K456-P491 WeakPolarHBondContact CD-O 3.4Å; K456-P491 WeakPolarHBondContact CE-O 3.4Å; K456-P491 PolarHBondContact NZ-O 3.13Å; K456-Y492 HydrophobicContact CB-CD2 4.19Å; K456-Y492 HydrophobicContact CG-CD2 4.29Å; K456-Y492 PolarHBondContact NZ-O 2.99Å; K456-Y492 VanDerWaalsContact NZ-O 3.15Å; K456-Y492 VanDerWaalsContact O-CE2 3.29Å; K456-Y492 WeakPolarHBondContact O-CE2 3.38Å; K456-M495 WeakPolarHBondContact CE-O 3.4Å; K456-M495 PolarHBondContact NZ-O 2.91Å; K456-A497 HydrophobicContact CG-CB 4.43Å; K456-V500 HydrophobicContact CG-CG2 4.19Å
457W97.7Very high80.9Confident34 Ų3448.9 Ų48.913%0.12925%0.253CS..THydrogen-bonded Turntrans-105.6-15.2178.6-70.1-98.9000112.4A354 P454 L455 S476 I479 E483 P491A354-W457 HydrophobicContact CB-CD2 4.31Å; A354-W457 HydrophobicContact CB-CG 4.09Å; P454-W457 HydrophobicContact CB-CE3 4.2Å; P454-W457 PolarHBondContact O-N 2.9Å; L455-W457 VanDerWaalsContact C-N 3.35Å; W457-S476 WeakPolarHBondContact O-CA 3.49Å; W457-S476 WeakPolarHBondContact O-CB 3.49Å; W457-S476 PolarHBondContact O-OG 3Å; W457-I479 VanDerWaalsContact CD1-CG2 3.41Å; W457-I479 HydrophobicContact CG-CG2 3.98Å; W457-E483 WeakPolarHBondContact CZ2-OE1 3.5Å; W457-E483 PolarHBondContact NE1-OE1 3.47Å; W457-E483 PolarHBondContact NE1-OE2 2.9Å; W457-P491 HydrophobicContact CZ2-CG 3.83Å
458T95.7Very high82.7Confident5 Ų548.6 Ų48.63%0.03125%0.252CS..SBendtrans-86.9137.6-170.1-51.80000111I453 P454 A462 V463 F468I453-T458 HydrophobicContact CG2-CG2 3.68Å; I453-T458 WeakPolarHBondContact CG2-OG1 3.3Å; P454-T458 PolarHBondContact O-N 3.04Å; P454-T458 VanDerWaalsContact O-N 3.15Å; P454-T458 PolarHBondContact O-OG1 3.23Å; T458-A462 HydrophobicContact CG2-CB 3.6Å; T458-V463 HydrophobicContact CG2-CG2 3.58Å; T458-F468 HydrophobicContact CG2-CE1 4.06Å; T458-F468 HydrophobicContact CG2-CZ 4.23Å
459A97.3Very high84.9Confident0 Ų043.5 Ų43.50%023%0.23CC..  trans-64149.1175.700000112E461 A462 V463 W475A459-E461 VanDerWaalsContact C-N 3.34Å; A459-E461 WeakPolarHBondContact CB-OE1 3.33Å; A459-E461 WeakPolarHBondContact CB-OE2 3.32Å; A459-E461 PolarHBondContact O-N 3.25Å; A459-A462 HydrophobicContact CB-CB 4.39Å; A459-A462 PolarHBondContact O-N 3.28Å; A459-V463 WeakPolarHBondContact O-CG2 3.48Å; A459-V463 PolarHBondContact O-N 3.07Å; A459-W475 HydrophobicContact CB-CB 3.71Å; A459-W475 HydrophobicContact CB-CD2 4.11Å; A459-W475 HydrophobicContact CB-CG 3.7Å
460P96.1Very high87Confident10 Ų1042.6 Ų42.67%0.06523%0.227CC..Hα-helixtrans-58.4-40.4-174.622.4-33.1000113.6A462 V463 R464 W475 L501 I504P460-A462 VanDerWaalsContact C-N 3.34Å; P460-A462 PolarHBondContact O-N 3.24Å; P460-V463 PolarHBondContact O-N 3.38Å; P460-R464 WeakPolarHBondContact O-CB 3.48Å; P460-R464 PolarHBondContact O-N 3.15Å; P460-W475 HydrophobicContact CG-CH2 4.41Å; P460-W475 HydrophobicContact CG-CZ3 4.23Å; P460-L501 HydrophobicContact CB-CD1 3.8Å; P460-I504 HydrophobicContact CB-CG2 4.29Å; P460-I504 HydrophobicContact CG-CG2 4.22Å
461E94.4Very high89.4Confident10 Ų1037 Ų375%0.04719%0.194CC..Hα-helixtrans-65.9-34.1176.572.5-74.2-179.600112.8A459 D465 L467 P532 R535A459-E461 VanDerWaalsContact C-N 3.34Å; A459-E461 WeakPolarHBondContact CB-OE1 3.33Å; A459-E461 WeakPolarHBondContact CB-OE2 3.32Å; A459-E461 PolarHBondContact O-N 3.25Å; E461-D465 WeakPolarHBondContact O-CA 3.47Å; E461-D465 WeakPolarHBondContact O-CB 3.41Å; E461-D465 PolarHBondContact O-N 3.01Å; E461-L467 PolarHBondContact O-N 2.61Å; E461-P532 HydrophobicContact CG-CG 3.95Å; E461-R535 IonicContact OE1-CZ 2.9Å; E461-R535 IonicContact OE1-NH1 2.73Å; E461-R535 PolarHBondContact OE1-NH1 2.82Å; E461-R535 IonicContact OE1-NH2 2.79Å; E461-R535 PolarHBondContact OE1-NH2 3.43Å; E461-R535 IonicContact OE2-CZ 3.84Å; E461-R535 IonicContact OE2-NH1 3.16Å; E461-R535 IonicContact OE2-NH2 2.91Å; E461-R535 PolarHBondContact OE2-NH2 3.26Å
462A92.5Very high91.2Very high0 Ų036 Ų360%019%0.186CC..Hα-helixtrans-74.4-29.6177.200000112.1T458 A459 P460 R466 L467 F468T458-A462 HydrophobicContact CG2-CB 3.6Å; A459-A462 HydrophobicContact CB-CB 4.39Å; A459-A462 PolarHBondContact O-N 3.28Å; P460-A462 VanDerWaalsContact C-N 3.34Å; P460-A462 PolarHBondContact O-N 3.24Å; A462-R466 WeakPolarHBondContact O-CA 3.45Å; A462-L467 VanDerWaalsContact CA-O 3.3Å; A462-L467 WeakPolarHBondContact CA-O 3.48Å; A462-L467 WeakPolarHBondContact CB-O 3.37Å; A462-F468 HydrophobicContact CB-CD1 3.9Å; A462-F468 HydrophobicContact CB-CD2 4.23Å; A462-F468 HydrophobicContact CB-CE1 3.9Å; A462-F468 HydrophobicContact CB-CE2 4.22Å; A462-F468 HydrophobicContact CB-CG 4.1Å; A462-F468 HydrophobicContact CB-CZ 4.07Å
463V89.8Confident92.5Very high25 Ų2532.2 Ų32.215%0.15215%0.154CC..Hα-helixtrans-74.2-50.6172.6-179.10000111.1I453 L455 T458 A459 P460 L501I453-V463 HydrophobicContact CG2-CG2 4.27Å; L455-V463 HydrophobicContact CD2-CG1 3.71Å; L455-V463 HydrophobicContact CD2-CG2 4.16Å; T458-V463 HydrophobicContact CG2-CG2 3.58Å; A459-V463 WeakPolarHBondContact O-CG2 3.48Å; A459-V463 PolarHBondContact O-N 3.07Å; P460-V463 PolarHBondContact O-N 3.38Å; V463-L501 HydrophobicContact CB-CD1 4.39Å; V463-L501 HydrophobicContact CB-CD2 4.46Å; V463-L501 HydrophobicContact CG1-CD2 3.87Å
464R88.6Confident93.3Very high140 Ų14030.7 Ų30.753%0.52815%0.147SC..Hα-helixtrans-75-51-171.8-174.8-173.259.2-131-3.7112.3P460 E505P460-R464 WeakPolarHBondContact O-CB 3.48Å; P460-R464 PolarHBondContact O-N 3.15Å; R464-E505 IonicContact NH1-OE1 3.7Å
465D86.1Confident93.8Very high72 Ų7229.4 Ų29.439%0.38514%0.138SC..SBendtrans-104.42.2-168.5-49-38.9000112.1E461 L467E461-D465 WeakPolarHBondContact O-CA 3.47Å; E461-D465 WeakPolarHBondContact O-CB 3.41Å; E461-D465 PolarHBondContact O-N 3.01Å; D465-L467 HydrophobicContact CB-CB 4.17Å; D465-L467 PolarHBondContact O-N 3.4Å; D465-L467 VanDerWaalsContact O-N 3.12Å
466R83.5Confident94.1Very high78 Ų7826.8 Ų26.829%0.29413%0.125SC..  trans53.726.7-170.8-61.6-69.9-179.1150.2-4.9112.8L447 A451 A462 F468L447-R466 HydrophobicContact CB-CB 4.46Å; L447-R466 PolarHBondContact N-O 3.08Å; A451-R466 PolarHBondContact O-NH1 3.07Å; A462-R466 WeakPolarHBondContact O-CA 3.45Å; R466-F468 PolarHBondContact O-N 3.48Å
467L88.6Confident94.2Very high44 Ų4425.9 Ų25.923%0.2312%0.121CC..EExtended strand (participates in β ladder)trans-90.795.3-178.2176.952.6000110.5P444 E461 A462 D465 T469P444-L467 HydrophobicContact CB-CD1 3.3Å; E461-L467 PolarHBondContact O-N 2.61Å; A462-L467 VanDerWaalsContact CA-O 3.3Å; A462-L467 WeakPolarHBondContact CA-O 3.48Å; A462-L467 WeakPolarHBondContact CB-O 3.37Å; D465-L467 HydrophobicContact CB-CB 4.17Å; D465-L467 PolarHBondContact O-N 3.4Å; D465-L467 VanDerWaalsContact O-N 3.12Å; L467-T469 HydrophobicContact CD1-CG2 3.91Å; L467-T469 HydrophobicContact CG-CG2 4.18Å
468F90.6Very high94.3Very high7 Ų724.3 Ų24.33%0.03112%0.115CC..EExtended strand (participates in β ladder)trans-94.7132.6175-70.6-97.9000110.2I349 R351 L447 I453 T458 A462 R466I349-F468 WeakPolarHBondContact CD1-O 3.39Å; I349-F468 HydrophobicContact CG2-CB 4.46Å; R351-F468 HydrophobicContact CB-CD1 3.8Å; R351-F468 HydrophobicContact CB-CE1 4.03Å; R351-F468 HydrophobicContact CG-CB 4.02Å; R351-F468 HydrophobicContact CG-CD1 3.56Å; R351-F468 HydrophobicContact CG-CE1 4.27Å; R351-F468 HydrophobicContact CG-CG 3.97Å; L447-F468 HydrophobicContact CD1-CB 4.12Å; L447-F468 HydrophobicContact CD1-CD2 3.27Å; L447-F468 HydrophobicContact CD1-CE2 3.89Å; L447-F468 HydrophobicContact CD1-CG 3.93Å; I453-F468 HydrophobicContact CD1-CZ 4.33Å; I453-F468 HydrophobicContact CG1-CZ 4.43Å; T458-F468 HydrophobicContact CG2-CE1 4.06Å; T458-F468 HydrophobicContact CG2-CZ 4.23Å; A462-F468 HydrophobicContact CB-CD1 3.9Å; A462-F468 HydrophobicContact CB-CD2 4.23Å; A462-F468 HydrophobicContact CB-CE1 3.9Å; A462-F468 HydrophobicContact CB-CE2 4.22Å; A462-F468 HydrophobicContact CB-CG 4.1Å; A462-F468 HydrophobicContact CB-CZ 4.07Å; R466-F468 PolarHBondContact O-N 3.48Å
469T93.9Very high94.4Very high33 Ų3324 Ų2420%0.20211%0.114CC..  trans-144.1170.5179.964.50000110.6L467 K471 S472 D473L467-T469 HydrophobicContact CD1-CG2 3.91Å; L467-T469 HydrophobicContact CG-CG2 4.18Å; T469-K471 PolarHBondContact O-N 3.01Å; T469-K471 PolarHBondContact OG1-N 2.75Å; T469-S472 PolarHBondContact N-OG 3.37Å; T469-S472 WeakPolarHBondContact O-CB 3.28Å; T469-S472 PolarHBondContact O-N 3.27Å; T469-S472 PolarHBondContact O-OG 3.11Å; T469-S472 PolarHBondContact OG1-N 2.89Å; T469-D473 PolarHBondContact O-N 3.16Å
470T95.2Very high94.5Very high29 Ų2924 Ų2418%0.17811%0.114CC..Hα-helixtrans-56.6-33.2169.556.30000111.8E344 I349 S472 D473 V474E344-T470 HydrophobicContact CB-CG2 4.45Å; E344-T470 HydrophobicContact CG-CG2 4.22Å; I349-T470 HydrophobicContact CG1-CG2 4.5Å; T470-S472 VanDerWaalsContact C-N 3.32Å; T470-S472 PolarHBondContact O-N 2.85Å; T470-D473 WeakPolarHBondContact O-CB 3.41Å; T470-D473 PolarHBondContact O-N 3.37Å; T470-D473 VanDerWaalsContact O-N 3.14Å; T470-V474 WeakPolarHBondContact O-CG2 3.38Å; T470-V474 PolarHBondContact O-N 3.3Å
471K97.8Very high94.6Very high46 Ų4623.6 Ų23.620%0.211%0.11CC..Hα-helixtrans-69.1-27.4174.9-61.5-61.3-175174.60113.5T469 V474 W475 P532 R535 P536T469-K471 PolarHBondContact O-N 3.01Å; T469-K471 PolarHBondContact OG1-N 2.75Å; K471-V474 WeakPolarHBondContact O-CB 3.47Å; K471-V474 PolarHBondContact O-N 3Å; K471-W475 PolarHBondContact O-N 2.88Å; K471-P532 HydrophobicContact CB-CB 3.84Å; K471-P532 HydrophobicContact CG-CB 4.37Å; K471-R535 HydrophobicContact CD-CB 4.34Å; K471-R535 PolarHBondContact NZ-O 2.89Å; K471-R535 WeakPolarHBondContact O-CD 3.34Å; K471-R535 PolarHBondContact O-NH1 2.98Å; K471-P536 PolarHBondContact NZ-O 3.25Å
472S97.2Very high94.8Very high2 Ų223.7 Ų23.71%0.01411%0.111CC..Hα-helixtrans-71.1-33.917072.90000111.7T469 T470 W475 S476T469-S472 PolarHBondContact N-OG 3.37Å; T469-S472 WeakPolarHBondContact O-CB 3.28Å; T469-S472 PolarHBondContact O-N 3.27Å; T469-S472 PolarHBondContact O-OG 3.11Å; T469-S472 PolarHBondContact OG1-N 2.89Å; T470-S472 VanDerWaalsContact C-N 3.32Å; T470-S472 PolarHBondContact O-N 2.85Å; S472-W475 WeakPolarHBondContact O-CB 3.39Å; S472-W475 PolarHBondContact O-N 3.4Å; S472-S476 PolarHBondContact O-N 2.72Å; S472-S476 PolarHBondContact O-OG 3.18Å
473D98.4Very high95.1Very high3 Ų323.9 Ų23.92%0.01611%0.111CC..Hα-helixtrans-69.2-33.1171.4-75.8-22.2000111.9I349 H350 R351 I353 T469 T470 W475 S476 F477 F538I349-D473 WeakPolarHBondContact CA-OD2 3.33Å; I349-D473 WeakPolarHBondContact CG2-OD2 3.44Å; H350-D473 PolarHBondContact N-OD2 2.95Å; R351-D473 WeakPolarHBondContact CA-OD1 3.47Å; R351-D473 PolarHBondContact N-OD1 3.42Å; I353-D473 HydrophobicContact CG1-CB 4.45Å; T469-D473 PolarHBondContact O-N 3.16Å; T470-D473 WeakPolarHBondContact O-CB 3.41Å; T470-D473 PolarHBondContact O-N 3.37Å; T470-D473 VanDerWaalsContact O-N 3.14Å; D473-W475 VanDerWaalsContact C-N 3.31Å; D473-W475 PolarHBondContact O-N 3.23Å; D473-S476 CarbonylContact O-C 3.59Å; D473-S476 PolarHBondContact O-N 3.3Å; D473-F477 WeakPolarHBondContact O-CB 3.27Å; D473-F477 PolarHBondContact O-N 3.45Å; D473-F538 HydrophobicContact CB-CE2 4.16Å; D473-F538 HydrophobicContact CB-CZ 4.04Å
474V98.7Very high95.4Very high0 Ų022.7 Ų22.70%010%0.104CC..Hα-helixtrans-59.1-43.2172.3169.20000111T470 K471 S476 F477 G478 M527 R535 F538 I541T470-V474 WeakPolarHBondContact O-CG2 3.38Å; T470-V474 PolarHBondContact O-N 3.3Å; K471-V474 WeakPolarHBondContact O-CB 3.47Å; K471-V474 PolarHBondContact O-N 3Å; V474-S476 PolarHBondContact O-N 3.44Å; V474-F477 PolarHBondContact O-N 3.04Å; V474-G478 PolarHBondContact O-N 2.87Å; V474-M527 HydrophobicContact CG1-CB 3.93Å; V474-M527 HydrophobicContact CG1-CG 3.86Å; V474-M527 HydrophobicContact CG1-SD 4.47Å; V474-R535 HydrophobicContact CG1-CB 4Å; V474-F538 HydrophobicContact CB-CZ 4.36Å; V474-F538 HydrophobicContact CG2-CD1 4.43Å; V474-F538 HydrophobicContact CG2-CD2 4Å; V474-F538 HydrophobicContact CG2-CE1 4.1Å; V474-F538 HydrophobicContact CG2-CE2 3.66Å; V474-F538 HydrophobicContact CG2-CG 4.38Å; V474-F538 HydrophobicContact CG2-CZ 3.71Å; V474-I541 HydrophobicContact CG1-CD1 3.83Å; V474-I541 HydrophobicContact CG2-CD1 4.31Å
475W98.7Very high95.8Very high0 Ų016.2 Ų16.20%08%0.08CC..Hα-helixtrans-58.5-49.2174176.4-74.4000111.2A459 P460 K471 S472 D473 F477 G478 I479 I504 W528A459-W475 HydrophobicContact CB-CB 3.71Å; A459-W475 HydrophobicContact CB-CD2 4.11Å; A459-W475 HydrophobicContact CB-CG 3.7Å; P460-W475 HydrophobicContact CG-CH2 4.41Å; P460-W475 HydrophobicContact CG-CZ3 4.23Å; K471-W475 PolarHBondContact O-N 2.88Å; S472-W475 WeakPolarHBondContact O-CB 3.39Å; S472-W475 PolarHBondContact O-N 3.4Å; D473-W475 VanDerWaalsContact C-N 3.31Å; D473-W475 PolarHBondContact O-N 3.23Å; W475-F477 VanDerWaalsContact C-N 3.29Å; W475-F477 PolarHBondContact O-N 3.28Å; W475-G478 PolarHBondContact O-N 2.85Å; W475-G478 VanDerWaalsContact O-N 3.1Å; W475-I479 PolarHBondContact O-N 2.98Å; W475-I479 VanDerWaalsContact O-N 3.15Å; W475-I504 HydrophobicContact CH2-CD1 4.49Å; W475-I504 HydrophobicContact CH2-CG2 3.56Å; W475-I504 HydrophobicContact CZ2-CD1 3.82Å; W475-I504 HydrophobicContact CZ2-CG1 4.28Å; W475-I504 HydrophobicContact CZ2-CG2 3.97Å; W475-W528 AromaticContact CD2-CD1 3.72Å; W475-W528 AromaticContact CE2-CD1 3.83Å; W475-W528 HydrophobicContact CE3-CB 4.15Å; W475-W528 HydrophobicContact CE3-CG 4.48Å; W475-W528 HydrophobicContact CH2-CB 3.99Å; W475-W528 HydrophobicContact CH2-CG 4.43Å; W475-W528 HydrophobicContact CZ2-CG 4.47Å; W475-W528 HydrophobicContact CZ3-CB 3.83Å; W475-W528 HydrophobicContact CZ3-CG 4.46Å; W475-W528 WeakPolarHBondContact CZ3-O 3.17Å; W475-W528 PolarHBondContact O-NE1 3.33Å
476S98.7Very high96.3Very high6 Ų613 Ų134%0.0426%0.063CC..Hα-helixtrans-61.6-36.4178.4-58.30000112.2W457 S472 D473 V474 G478 I479 L480W457-S476 WeakPolarHBondContact O-CA 3.49Å; W457-S476 WeakPolarHBondContact O-CB 3.49Å; W457-S476 PolarHBondContact O-OG 3Å; S472-S476 PolarHBondContact O-N 2.72Å; S472-S476 PolarHBondContact O-OG 3.18Å; D473-S476 CarbonylContact O-C 3.59Å; D473-S476 PolarHBondContact O-N 3.3Å; V474-S476 PolarHBondContact O-N 3.44Å; S476-G478 VanDerWaalsContact C-N 3.35Å; S476-G478 PolarHBondContact O-N 3.38Å; S476-I479 WeakPolarHBondContact O-CB 3.44Å; S476-I479 PolarHBondContact O-N 2.96Å; S476-I479 VanDerWaalsContact O-N 3.17Å; S476-L480 PolarHBondContact O-N 3.22Å
477F98.8Very high96.9Very high0 Ų011.1 Ų11.10%06%0.056CC..Hα-helixtrans-63.5-39173.2-175.3-111.9000112V336 C337 L340 D473 V474 W475 I479 L480 L481 M527 F538 I541 L545V336-F477 HydrophobicContact CB-CE2 4.02Å; V336-F477 HydrophobicContact CG1-CD2 3.97Å; V336-F477 HydrophobicContact CG1-CE2 3.68Å; C337-F477 HydrophobicContact CB-CE1 4.28Å; C337-F477 HydrophobicContact CB-CE2 4.37Å; C337-F477 HydrophobicContact CB-CZ 3.78Å; L340-F477 HydrophobicContact CD1-CB 4.04Å; L340-F477 HydrophobicContact CD1-CD2 3.48Å; L340-F477 VanDerWaalsContact CD1-CD2 3.48Å; L340-F477 HydrophobicContact CD1-CE2 4.2Å; L340-F477 HydrophobicContact CD1-CG 3.9Å; D473-F477 WeakPolarHBondContact O-CB 3.27Å; D473-F477 PolarHBondContact O-N 3.45Å; V474-F477 PolarHBondContact O-N 3.04Å; W475-F477 VanDerWaalsContact C-N 3.29Å; W475-F477 PolarHBondContact O-N 3.28Å; F477-I479 VanDerWaalsContact C-N 3.3Å; F477-I479 PolarHBondContact O-N 3.21Å; F477-L480 HydrophobicContact CD2-CD2 3.97Å; F477-L480 HydrophobicContact CE2-CD2 4.15Å; F477-L480 WeakPolarHBondContact O-CB 3.46Å; F477-L480 PolarHBondContact O-N 2.61Å; F477-L480 VanDerWaalsContact O-N 3.15Å; F477-L481 HydrophobicContact CD1-CD1 4.44Å; F477-L481 HydrophobicContact CD1-CG 4.4Å; F477-L481 HydrophobicContact CE1-CD1 3.97Å; F477-L481 HydrophobicContact CE1-CD2 4.06Å; F477-L481 HydrophobicContact CE1-CG 4.01Å; F477-L481 HydrophobicContact CE2-CD2 4.3Å; F477-L481 HydrophobicContact CZ-CD2 3.75Å; F477-L481 HydrophobicContact CZ-CG 4.15Å; F477-L481 WeakPolarHBondContact O-CG 3.43Å; F477-L481 PolarHBondContact O-N 3.46Å; F477-M527 HydrophobicContact CB-SD 4.46Å; F477-M527 HydrophobicContact CD1-CE 3.76Å; F477-M527 HydrophobicContact CD1-SD 3.6Å; F477-M527 HydrophobicContact CE1-CE 3.92Å; F477-M527 HydrophobicContact CE1-SD 4.36Å; F477-M527 HydrophobicContact CG-SD 4.46Å; F477-F538 HydrophobicContact CB-CE1 3.76Å; F477-F538 HydrophobicContact CB-CZ 4.28Å; F477-F538 HydrophobicContact CD1-CE1 4.11Å; F477-F538 AromaticContact CG-CE1 3.89Å; F477-F538 HydrophobicContact CG-CE1 3.89Å; F477-I541 HydrophobicContact CD1-CD1 4.48Å; F477-I541 HydrophobicContact CD1-CG2 4.12Å; F477-I541 HydrophobicContact CE1-CG2 3.61Å; F477-L545 HydrophobicContact CE1-CD1 4.25Å; F477-L545 HydrophobicContact CZ-CD1 4.17Å
478G98.7Very high97.2Very high0 Ų09.2 Ų9.20%05%0.047CC..Hα-helixtrans-58.9-41.2171.500000112.6V474 W475 S476 L481 W482 M527 W528V474-G478 PolarHBondContact O-N 2.87Å; W475-G478 PolarHBondContact O-N 2.85Å; W475-G478 VanDerWaalsContact O-N 3.1Å; S476-G478 VanDerWaalsContact C-N 3.35Å; S476-G478 PolarHBondContact O-N 3.38Å; G478-L481 PolarHBondContact O-N 3.13Å; G478-W482 PolarHBondContact O-N 2.79Å; G478-W482 VanDerWaalsContact O-N 3.08Å; G478-M527 WeakPolarHBondContact CA-SD 3.35Å; G478-M527 PolarHBondContact N-SD 3.16Å; G478-M527 VanDerWaalsContact N-SD 3.42Å; G478-W528 VanDerWaalsContact C-CZ2 3.46Å; G478-W528 VanDerWaalsContact O-CZ2 3.28Å; G478-W528 WeakPolarHBondContact O-CZ2 3.08Å
479I98.7Very high97.5Very high0 Ų015.3 Ų15.30%07%0.07CC..Hα-helixtrans-64.9-41.7174-55.7-66.6000111.1W457 W475 S476 F477 L481 W482 E483 P491 Y492 M510 W528W457-I479 VanDerWaalsContact CD1-CG2 3.41Å; W457-I479 HydrophobicContact CG-CG2 3.98Å; W475-I479 PolarHBondContact O-N 2.98Å; W475-I479 VanDerWaalsContact O-N 3.15Å; S476-I479 WeakPolarHBondContact O-CB 3.44Å; S476-I479 PolarHBondContact O-N 2.96Å; S476-I479 VanDerWaalsContact O-N 3.17Å; F477-I479 VanDerWaalsContact C-N 3.3Å; F477-I479 PolarHBondContact O-N 3.21Å; I479-L481 PolarHBondContact O-N 2.98Å; I479-W482 WeakPolarHBondContact O-CA 3.4Å; I479-W482 WeakPolarHBondContact O-CB 3.33Å; I479-W482 PolarHBondContact O-N 3.47Å; I479-W482 VanDerWaalsContact O-N 3.11Å; I479-E483 PolarHBondContact O-N 3.05Å; I479-P491 HydrophobicContact CG2-CB 3.83Å; I479-P491 HydrophobicContact CG2-CG 3.44Å; I479-P491 VanDerWaalsContact CG2-CG 3.44Å; I479-Y492 HydrophobicContact CD1-CE2 3.98Å; I479-M510 HydrophobicContact CD1-CE 3.43Å; I479-M510 VanDerWaalsContact CD1-CE 3.43Å; I479-W528 HydrophobicContact CD1-CZ2 3.71Å; I479-W528 HydrophobicContact CG1-CZ2 4.46Å
480L98.8Very high97.6Very high0 Ų018.6 Ų18.60%09%0.085CC..Hα-helixtrans-60.4-41.9174.5168.863.8000112L312 V336 I353 A355 V358 S476 F477 W482 E483 I484L312-L480 HydrophobicContact CD2-CD1 4.38Å; V336-L480 HydrophobicContact CB-CD2 4.31Å; V336-L480 HydrophobicContact CG1-CD2 3.65Å; V336-L480 HydrophobicContact CG2-CD2 4.3Å; I353-L480 HydrophobicContact CG2-CB 4.33Å; I353-L480 HydrophobicContact CG2-CD2 3.96Å; A355-L480 HydrophobicContact CB-CD1 3.74Å; V358-L480 HydrophobicContact CG2-CD1 4.49Å; V358-L480 HydrophobicContact CG2-CD2 4.11Å; S476-L480 PolarHBondContact O-N 3.22Å; F477-L480 HydrophobicContact CD2-CD2 3.97Å; F477-L480 HydrophobicContact CE2-CD2 4.15Å; F477-L480 WeakPolarHBondContact O-CB 3.46Å; F477-L480 PolarHBondContact O-N 2.61Å; F477-L480 VanDerWaalsContact O-N 3.15Å; L480-W482 VanDerWaalsContact C-N 3.28Å; L480-W482 PolarHBondContact O-N 2.79Å; L480-E483 WeakPolarHBondContact O-CB 3.39Å; L480-E483 PolarHBondContact O-N 2.88Å; L480-E483 VanDerWaalsContact O-N 3.14Å; L480-I484 HydrophobicContact CD1-CD1 4.09Å; L480-I484 HydrophobicContact CD1-CG1 4.15Å; L480-I484 HydrophobicContact CG-CD1 4.05Å; L480-I484 WeakPolarHBondContact O-CG1 3.48Å; L480-I484 PolarHBondContact O-N 2.88Å
481L98.6Very high97.7Very high0 Ų017.2 Ų17.20%08%0.077CC..Hα-helixtrans-60-43.1173.5-66-175.4000110.5S333 F477 G478 I479 E483 I484 Y485 M524 M527S333-L481 VanDerWaalsContact OG-CD2 3.29Å; S333-L481 WeakPolarHBondContact OG-CD2 3.45Å; F477-L481 HydrophobicContact CD1-CD1 4.44Å; F477-L481 HydrophobicContact CD1-CG 4.4Å; F477-L481 HydrophobicContact CE1-CD1 3.97Å; F477-L481 HydrophobicContact CE1-CD2 4.06Å; F477-L481 HydrophobicContact CE1-CG 4.01Å; F477-L481 HydrophobicContact CE2-CD2 4.3Å; F477-L481 HydrophobicContact CZ-CD2 3.75Å; F477-L481 HydrophobicContact CZ-CG 4.15Å; F477-L481 WeakPolarHBondContact O-CG 3.43Å; F477-L481 PolarHBondContact O-N 3.46Å; G478-L481 PolarHBondContact O-N 3.13Å; I479-L481 PolarHBondContact O-N 2.98Å; L481-E483 VanDerWaalsContact C-N 3.3Å; L481-E483 PolarHBondContact O-N 3.39Å; L481-I484 PolarHBondContact O-N 3.22Å; L481-Y485 VanDerWaalsContact O-CD2 3.31Å; L481-Y485 WeakPolarHBondContact O-CD2 3.38Å; L481-Y485 PolarHBondContact O-N 3.07Å; L481-M524 HydrophobicContact CB-CE 3.67Å; L481-M524 HydrophobicContact CB-CG 4.05Å; L481-M524 HydrophobicContact CB-SD 4.27Å; L481-M524 HydrophobicContact CD1-CG 4.26Å; L481-M527 HydrophobicContact CD1-CE 3.49Å; L481-M527 VanDerWaalsContact CD1-CE 3.49Å; L481-M527 HydrophobicContact CD1-SD 4.32Å
482W98.4Very high97.7Very high13 Ų1315.1 Ų15.15%0.0497%0.068CC..Hα-helixtrans-59.4-40.5174.6-168.595.7000112.1G478 I479 L480 S486 R489 I490 P491 P493 M510 K511 P513 M524 W528G478-W482 PolarHBondContact O-N 2.79Å; G478-W482 VanDerWaalsContact O-N 3.08Å; I479-W482 WeakPolarHBondContact O-CA 3.4Å; I479-W482 WeakPolarHBondContact O-CB 3.33Å; I479-W482 PolarHBondContact O-N 3.47Å; I479-W482 VanDerWaalsContact O-N 3.11Å; L480-W482 VanDerWaalsContact C-N 3.28Å; L480-W482 PolarHBondContact O-N 2.79Å; W482-S486 WeakPolarHBondContact O-CB 3.06Å; W482-S486 PolarHBondContact O-N 3.14Å; W482-S486 PolarHBondContact O-OG 2.86Å; W482-R489 HydrophobicContact CH2-CB 4Å; W482-R489 HydrophobicContact CZ3-CB 3.92Å; W482-R489 WeakPolarHBondContact CZ3-O 3.31Å; W482-I490 WeakPolarHBondContact CZ3-O 3.38Å; W482-P491 HydrophobicContact CE3-CG 4.44Å; W482-P493 HydrophobicContact CH2-CG 3.78Å; W482-P493 HydrophobicContact CZ2-CG 4.21Å; W482-M510 HydrophobicContact CB-CE 3.99Å; W482-M510 HydrophobicContact CD2-CE 3.9Å; W482-M510 HydrophobicContact CD2-SD 3.89Å; W482-M510 HydrophobicContact CE3-CE 4.44Å; W482-M510 HydrophobicContact CE3-SD 4.26Å; W482-M510 HydrophobicContact CG-CE 3.67Å; W482-M510 HydrophobicContact CG-SD 4.23Å; W482-M510 HydrophobicContact CZ2-SD 4.27Å; W482-K511 PolarHBondContact NE1-O 3.01Å; W482-P513 HydrophobicContact CG-CG 4.16Å; W482-M524 HydrophobicContact CB-SD 4.05Å; W482-W528 HydrophobicContact CB-CH2 4.09Å; W482-W528 HydrophobicContact CB-CZ2 4.19Å; W482-W528 HydrophobicContact CG-CH2 4.32Å
483E98.3Very high97.5Very high3 Ų317.9 Ų17.91%0.0149%0.085CC..Hα-helixtrans-60.6-47.9173.3-67.1-178.3103.400111.7A355 W457 I479 L480 L481 S486 Y487 G488 P491A355-E483 HydrophobicContact CB-CB 4.07Å; A355-E483 PolarHBondContact N-OE2 3.11Å; W457-E483 WeakPolarHBondContact CZ2-OE1 3.5Å; W457-E483 PolarHBondContact NE1-OE1 3.47Å; W457-E483 PolarHBondContact NE1-OE2 2.9Å; I479-E483 PolarHBondContact O-N 3.05Å; L480-E483 WeakPolarHBondContact O-CB 3.39Å; L480-E483 PolarHBondContact O-N 2.88Å; L480-E483 VanDerWaalsContact O-N 3.14Å; L481-E483 VanDerWaalsContact C-N 3.3Å; L481-E483 PolarHBondContact O-N 3.39Å; E483-S486 CarbonylContact O-C 3.56Å; E483-S486 PolarHBondContact O-N 3.43Å; E483-Y487 PolarHBondContact O-N 3.36Å; E483-G488 WeakPolarHBondContact O-CA 3.43Å; E483-G488 PolarHBondContact O-N 2.88Å; E483-P491 HydrophobicContact CG-CG 3.96Å
484I97.9Very high97.2Very high0 Ų030 Ų300%013%0.131CC..Hα-helixtrans-58.8-50.9179.9-69168.6000110.9L312 L316 K329 F332 L480 L481 S486 Y487L312-I484 HydrophobicContact CD2-CD1 4.07Å; L312-I484 HydrophobicContact CD2-CG1 3.96Å; L316-I484 HydrophobicContact CD1-CG1 4.44Å; K329-I484 HydrophobicContact CB-CG2 3.72Å; K329-I484 HydrophobicContact CG-CG2 3.99Å; F332-I484 HydrophobicContact CB-CD1 4.42Å; L480-I484 HydrophobicContact CD1-CD1 4.09Å; L480-I484 HydrophobicContact CD1-CG1 4.15Å; L480-I484 HydrophobicContact CG-CD1 4.05Å; L480-I484 WeakPolarHBondContact O-CG1 3.48Å; L480-I484 PolarHBondContact O-N 2.88Å; L481-I484 PolarHBondContact O-N 3.22Å; I484-S486 PolarHBondContact O-N 3.15Å; I484-Y487 PolarHBondContact O-N 3.08Å
485Y97.1Very high96.9Very high5 Ų531.4 Ų31.42%0.0214%0.138CC..Hα-helixtrans-76.7-12.4-177.3-75.9-97000113.2E326 K329 L481 C516 P517 V520 M524E326-Y485 VanDerWaalsContact OE2-CE1 3.3Å; E326-Y485 WeakPolarHBondContact OE2-CE1 3.29Å; K329-Y485 HydrophobicContact CB-CE1 4.19Å; K329-Y485 HydrophobicContact CB-CE2 4.24Å; K329-Y485 HydrophobicContact CD-CD1 3.91Å; K329-Y485 HydrophobicContact CD-CE1 4.08Å; K329-Y485 HydrophobicContact CD-CG 4.34Å; L481-Y485 VanDerWaalsContact O-CD2 3.31Å; L481-Y485 WeakPolarHBondContact O-CD2 3.38Å; L481-Y485 PolarHBondContact O-N 3.07Å; Y485-C516 HydrophobicContact CD1-CB 4.32Å; Y485-P517 HydrophobicContact CE1-CG 4.35Å; Y485-V520 HydrophobicContact CD2-CG1 4.03Å; Y485-V520 HydrophobicContact CE1-CG1 4.16Å; Y485-V520 HydrophobicContact CE1-CG2 4.26Å; Y485-V520 HydrophobicContact CE2-CG1 3.63Å; Y485-V520 HydrophobicContact CG-CG1 4.47Å; Y485-M524 HydrophobicContact CD2-CE 4.06Å; Y485-M524 HydrophobicContact CG-CE 4.31Å
486S96Very high96.4Very high5 Ų536 Ų364%0.03516%0.161CC..THydrogen-bonded Turntrans-101.313.9172.4-54.50000113.7W482 E483 I484 G488 R489 P513W482-S486 WeakPolarHBondContact O-CB 3.06Å; W482-S486 PolarHBondContact O-N 3.14Å; W482-S486 PolarHBondContact O-OG 2.86Å; E483-S486 CarbonylContact O-C 3.56Å; E483-S486 PolarHBondContact O-N 3.43Å; I484-S486 PolarHBondContact O-N 3.15Å; S486-G488 VanDerWaalsContact C-N 3.28Å; S486-G488 PolarHBondContact O-N 3.49Å; S486-R489 VanDerWaalsContact O-CG 3.25Å; S486-R489 WeakPolarHBondContact O-CG 3.36Å; S486-R489 PolarHBondContact O-N 2.95Å; S486-P513 VanDerWaalsContact OG-CB 3.31Å; S486-P513 WeakPolarHBondContact OG-CB 3.29Å; S486-P513 VanDerWaalsContact OG-CG 3.26Å; S486-P513 WeakPolarHBondContact OG-CG 3.29Å
487Y95.7Very high95.8Very high38 Ų3837.7 Ų37.715%0.14918%0.175CC..THydrogen-bonded Turntrans54.542.1-178.3-56.2-91.4000113H317 R321 I324 K329 E483 I484 R489H317-Y487 PolarHBondContact CD2-O 2.93Å; R321-Y487 HydrophobicContact CB-CE1 4.19Å; R321-Y487 HydrophobicContact CG-CE1 3.93Å; R321-Y487 HydrophobicContact CG-CE2 3.92Å; I324-Y487 HydrophobicContact CB-CE1 4.1Å; I324-Y487 HydrophobicContact CD1-CD1 4.13Å; I324-Y487 HydrophobicContact CG2-CE1 4.47Å; K329-Y487 VanDerWaalsContact NZ-CZ 3.27Å; K329-Y487 PolarHBondContact NZ-OH 2.98Å; E483-Y487 PolarHBondContact O-N 3.36Å; I484-Y487 PolarHBondContact O-N 3.08Å; Y487-R489 PolarHBondContact O-N 3.47Å
488G95.7Very high95.2Very high4 Ų443.4 Ų43.44%0.04121%0.206CC..THydrogen-bonded Turntrans76.115.8176.900000114.8H317 E483 S486H317-G488 PolarHBondContact NE2-O 3.44Å; E483-G488 WeakPolarHBondContact O-CA 3.43Å; E483-G488 PolarHBondContact O-N 2.88Å; S486-G488 VanDerWaalsContact C-N 3.28Å; S486-G488 PolarHBondContact O-N 3.49Å
489R96.4Very high94.8Very high134 Ų13446.9 Ų46.951%0.50622%0.222SC..PPolyproline II helixtrans-55.5149.4171.1-75.8174.8-176.7175.92.7110.4W482 S486 Y487W482-R489 HydrophobicContact CH2-CB 4Å; W482-R489 HydrophobicContact CZ3-CB 3.92Å; W482-R489 WeakPolarHBondContact CZ3-O 3.31Å; S486-R489 VanDerWaalsContact O-CG 3.25Å; S486-R489 WeakPolarHBondContact O-CG 3.36Å; S486-R489 PolarHBondContact O-N 2.95Å; Y487-R489 PolarHBondContact O-N 3.47Å
490I95.6Very high94.5Very high103 Ų10347 Ų4753%0.52822%0.222SC..PPolyproline II helixtrans-66.8130.9174.9-170.6167.5000110.4K456 W482K456-I490 HydrophobicContact CD-CD1 4.4Å; K456-I490 HydrophobicContact CD-CG1 4.24Å; W482-I490 WeakPolarHBondContact CZ3-O 3.38Å
491P97.6Very high94.2Very high0 Ų049 Ų490%023%0.233CC..SBendtrans-57.3153.2174-26.935.5000112.4K456 W457 I479 W482 E483 M510K456-P491 HydrophobicContact CB-CB 4.42Å; K456-P491 WeakPolarHBondContact CD-O 3.4Å; K456-P491 WeakPolarHBondContact CE-O 3.4Å; K456-P491 PolarHBondContact NZ-O 3.13Å; W457-P491 HydrophobicContact CZ2-CG 3.83Å; I479-P491 HydrophobicContact CG2-CB 3.83Å; I479-P491 HydrophobicContact CG2-CG 3.44Å; I479-P491 VanDerWaalsContact CG2-CG 3.44Å; W482-P491 HydrophobicContact CE3-CG 4.44Å; E483-P491 HydrophobicContact CG-CG 3.96Å; P491-M510 HydrophobicContact CB-CE 4.24Å; P491-M510 HydrophobicContact CB-SD 3.95Å
492Y96.6Very high94Very high1 Ų158.4 Ų58.40%0.00427%0.269CS..SBendtrans48.165-175.5-53.6-86.6000111.7K456 I479 R494 M495 V500 I504 Y508 M510K456-Y492 HydrophobicContact CB-CD2 4.19Å; K456-Y492 HydrophobicContact CG-CD2 4.29Å; K456-Y492 PolarHBondContact NZ-O 2.99Å; K456-Y492 VanDerWaalsContact NZ-O 3.15Å; K456-Y492 VanDerWaalsContact O-CE2 3.29Å; K456-Y492 WeakPolarHBondContact O-CE2 3.38Å; I479-Y492 HydrophobicContact CD1-CE2 3.98Å; Y492-R494 PolarHBondContact O-N 2.81Å; Y492-M495 HydrophobicContact CD1-SD 4.14Å; Y492-M495 PolarHBondContact O-N 2.94Å; Y492-M495 VanDerWaalsContact O-N 3.16Å; Y492-V500 HydrophobicContact CD1-CG1 4.05Å; Y492-V500 HydrophobicContact CD1-CG2 4.43Å; Y492-V500 HydrophobicContact CD2-CG1 3.81Å; Y492-V500 HydrophobicContact CD2-CG2 4.13Å; Y492-V500 HydrophobicContact CE1-CG1 4.01Å; Y492-V500 HydrophobicContact CE2-CG1 3.77Å; Y492-V500 HydrophobicContact CG-CG1 3.97Å; Y492-V500 HydrophobicContact CG-CG2 3.9Å; Y492-I504 HydrophobicContact CE1-CD1 4.29Å; Y492-I504 HydrophobicContact CE1-CG1 4.18Å; Y492-I504 WeakPolarHBondContact OH-CD1 3.31Å; Y492-Y508 HydrophobicContact CD1-CD1 4.36Å; Y492-Y508 AromaticContact CD1-CE1 3.86Å; Y492-Y508 HydrophobicContact CD1-CE1 3.86Å; Y492-Y508 HydrophobicContact CE1-CD1 4.26Å; Y492-Y508 HydrophobicContact CE1-CE1 4.05Å; Y492-M510 HydrophobicContact CD1-CG 3.68Å; Y492-M510 HydrophobicContact CD1-SD 4.18Å; Y492-M510 HydrophobicContact CD2-SD 4.07Å; Y492-M510 HydrophobicContact CE1-CG 3.62Å; Y492-M510 HydrophobicContact CE1-SD 4.27Å; Y492-M510 HydrophobicContact CE2-CE 4.23Å; Y492-M510 HydrophobicContact CE2-SD 4.14Å; Y492-M510 HydrophobicContact CG-CG 4.17Å; Y492-M510 HydrophobicContact CG-SD 4.07Å; Y492-M510 PolarHBondContact N-SD 3.25Å
493P94.4Very high93.8Very high60 Ų6061.4 Ų61.439%0.3928%0.283SS..THydrogen-bonded Turntrans-54.1139.1-180-24.334000111W482 M495W482-P493 HydrophobicContact CH2-CG 3.78Å; W482-P493 HydrophobicContact CZ2-CG 4.21Å; P493-M495 PolarHBondContact O-N 3.11Å
494R92.3Very high93.7Very high258 Ų25861.5 Ų61.597%0.97428%0.283SS*.THydrogen-bonded Turntrans686-179.9-48.1175.6-179.6176.3-0.9115.8Y492Y492-R494 PolarHBondContact O-N 2.81Å
495M92.3Very high93.5Very high30 Ų3066.3 Ų66.315%0.14831%0.306CS..  trans-106.8136.8173-60.2175.66800111.1K456 Y492 P493 V500 H503 Y508K456-M495 WeakPolarHBondContact CE-O 3.4Å; K456-M495 PolarHBondContact NZ-O 2.91Å; Y492-M495 HydrophobicContact CD1-SD 4.14Å; Y492-M495 PolarHBondContact O-N 2.94Å; Y492-M495 VanDerWaalsContact O-N 3.16Å; P493-M495 PolarHBondContact O-N 3.11Å; M495-V500 HydrophobicContact CB-CG2 4.22Å; M495-V500 HydrophobicContact CE-CG2 4.27Å; M495-H503 HydrophobicContact CE-CB 3.64Å; M495-H503 VanDerWaalsContact CE-ND1 3.31Å; M495-H503 WeakPolarHBondContact CE-ND1 3.21Å; M495-Y508 HydrophobicContact SD-CE1 4.34Å
496M88.2Confident93.4Very high96 Ų9670.5 Ų70.547%0.47334%0.336SS..  trans-73.2149.1168.8-64.3-170.9-73.800110N498 Q499M496-N498 VanDerWaalsContact C-N 3.28Å; M496-N498 VanDerWaalsContact CB-OD1 3.22Å; M496-N498 WeakPolarHBondContact CB-OD1 3.29Å; M496-N498 PolarHBondContact O-N 2.83Å; M496-Q499 HydrophobicContact CB-CG 4.22Å; M496-Q499 HydrophobicContact CE-CG 4.45Å; M496-Q499 VanDerWaalsContact CE-NE2 3.32Å; M496-Q499 WeakPolarHBondContact O-CB 3.47Å; M496-Q499 PolarHBondContact O-N 3.46Å
497A86Confident93.3Very high42 Ų4272.8 Ų72.835%0.34736%0.36SS..Hα-helixtrans-56.8-39.2-174.300000113.3L455 K456 Q499 V500L455-A497 HydrophobicContact CB-CB 4.2Å; L455-A497 HydrophobicContact CD1-CB 4.04Å; K456-A497 HydrophobicContact CG-CB 4.43Å; A497-Q499 PolarHBondContact O-N 2.9Å; A497-V500 PolarHBondContact O-N 2.89Å
498N85Confident93.4Very high120 Ų12074.8 Ų74.864%0.64237%0.368SS*.Hα-helixtrans-69.9-13.8177.665.2-23.3000114.5M496M496-N498 VanDerWaalsContact C-N 3.28Å; M496-N498 VanDerWaalsContact CB-OD1 3.22Å; M496-N498 WeakPolarHBondContact CB-OD1 3.29Å; M496-N498 PolarHBondContact O-N 2.83Å
499Q92Very high93.4Very high73 Ų7376.6 Ų76.634%0.34137%0.373SS..Hα-helixtrans-90.2-18.8177.1-64.5172.4-32.400112.5M496 A497 H503M496-Q499 HydrophobicContact CB-CG 4.22Å; M496-Q499 HydrophobicContact CE-CG 4.45Å; M496-Q499 VanDerWaalsContact CE-NE2 3.32Å; M496-Q499 WeakPolarHBondContact O-CB 3.47Å; M496-Q499 PolarHBondContact O-N 3.46Å; A497-Q499 PolarHBondContact O-N 2.9Å; Q499-H503 PolarHBondContact O-ND1 3.43Å
500V92.4Very high93.5Very high1 Ų170.2 Ų70.21%0.00635%0.35CS..Hα-helixtrans-65.1-45.9-168.2169.80000112.3K456 Y492 M495 A497 R502 H503 I504K456-V500 HydrophobicContact CG-CG2 4.19Å; Y492-V500 HydrophobicContact CD1-CG1 4.05Å; Y492-V500 HydrophobicContact CD1-CG2 4.43Å; Y492-V500 HydrophobicContact CD2-CG1 3.81Å; Y492-V500 HydrophobicContact CD2-CG2 4.13Å; Y492-V500 HydrophobicContact CE1-CG1 4.01Å; Y492-V500 HydrophobicContact CE2-CG1 3.77Å; Y492-V500 HydrophobicContact CG-CG1 3.97Å; Y492-V500 HydrophobicContact CG-CG2 3.9Å; M495-V500 HydrophobicContact CB-CG2 4.22Å; M495-V500 HydrophobicContact CE-CG2 4.27Å; A497-V500 PolarHBondContact O-N 2.89Å; V500-R502 PolarHBondContact O-N 2.84Å; V500-H503 PolarHBondContact O-N 3.25Å; V500-I504 HydrophobicContact CG1-CD1 3.44Å; V500-I504 VanDerWaalsContact CG1-CD1 3.44Å; V500-I504 HydrophobicContact CG1-CG1 4.19Å; V500-I504 WeakPolarHBondContact O-CG1 3.48Å; V500-I504 PolarHBondContact O-N 3.16Å
501L92.5Very high93.5Very high44 Ų4473.2 Ų73.223%0.2336%0.359CS..Hα-helixtrans-55.4-50.2-178.7-178.964.1000111.8P460 V463 H503 I504 E505P460-L501 HydrophobicContact CB-CD1 3.8Å; V463-L501 HydrophobicContact CB-CD1 4.39Å; V463-L501 HydrophobicContact CB-CD2 4.46Å; V463-L501 HydrophobicContact CG1-CD2 3.87Å; L501-H503 VanDerWaalsContact C-N 3.26Å; L501-H503 PolarHBondContact O-N 3.02Å; L501-I504 WeakPolarHBondContact O-CB 3.25Å; L501-I504 PolarHBondContact O-N 3.15Å; L501-I504 VanDerWaalsContact O-N 3.12Å; L501-E505 HydrophobicContact CD1-CG 4.18Å; L501-E505 HydrophobicContact CG-CG 4.38Å; L501-E505 WeakPolarHBondContact O-CG 3.26Å; L501-E505 PolarHBondContact O-N 3.38Å
502R93.7Very high93.5Very high197 Ų19775.6 Ų75.674%0.74338%0.375SS*.Hα-helixtrans-56.2-39-179.4-173.3-174.1-61.4174.5-0112.8V500 S506V500-R502 PolarHBondContact O-N 2.84Å; R502-S506 PolarHBondContact O-N 3.45Å; R502-S506 VanDerWaalsContact O-N 3.12Å
503H95Very high93.5Very high76 Ų7676 Ų7635%0.35238%0.378SS..Hα-helixtrans-75.7-40.3179.6-69.576.1000111.3M495 Q499 V500 L501 E505 S506 G507 Y508M495-H503 HydrophobicContact CE-CB 3.64Å; M495-H503 VanDerWaalsContact CE-ND1 3.31Å; M495-H503 WeakPolarHBondContact CE-ND1 3.21Å; Q499-H503 PolarHBondContact O-ND1 3.43Å; V500-H503 PolarHBondContact O-N 3.25Å; L501-H503 VanDerWaalsContact C-N 3.26Å; L501-H503 PolarHBondContact O-N 3.02Å; H503-E505 VanDerWaalsContact C-N 3.26Å; H503-E505 PolarHBondContact O-N 3.37Å; H503-S506 PolarHBondContact O-N 2.78Å; H503-S506 VanDerWaalsContact O-N 3.14Å; H503-S506 PolarHBondContact O-OG 2.97Å; H503-G507 PolarHBondContact O-N 2.93Å; H503-Y508 HydrophobicContact CB-CD1 4.4Å; H503-Y508 HydrophobicContact CB-CG 4.39Å; H503-Y508 WeakPolarHBondContact O-CB 3.41Å; H503-Y508 PolarHBondContact O-N 3.45Å
504I95.5Very high93.4Very high4 Ų478.2 Ų78.22%0.02138%0.383CS..Hα-helixtrans-57.6-44174.3-71.1165.3000110.4P460 W475 Y492 V500 L501 S506 G507 R509P460-I504 HydrophobicContact CB-CG2 4.29Å; P460-I504 HydrophobicContact CG-CG2 4.22Å; W475-I504 HydrophobicContact CH2-CD1 4.49Å; W475-I504 HydrophobicContact CH2-CG2 3.56Å; W475-I504 HydrophobicContact CZ2-CD1 3.82Å; W475-I504 HydrophobicContact CZ2-CG1 4.28Å; W475-I504 HydrophobicContact CZ2-CG2 3.97Å; Y492-I504 HydrophobicContact CE1-CD1 4.29Å; Y492-I504 HydrophobicContact CE1-CG1 4.18Å; Y492-I504 WeakPolarHBondContact OH-CD1 3.31Å; V500-I504 HydrophobicContact CG1-CD1 3.44Å; V500-I504 VanDerWaalsContact CG1-CD1 3.44Å; V500-I504 HydrophobicContact CG1-CG1 4.19Å; V500-I504 WeakPolarHBondContact O-CG1 3.48Å; V500-I504 PolarHBondContact O-N 3.16Å; L501-I504 WeakPolarHBondContact O-CB 3.25Å; L501-I504 PolarHBondContact O-N 3.15Å; L501-I504 VanDerWaalsContact O-N 3.12Å; I504-S506 VanDerWaalsContact C-N 3.31Å; I504-S506 PolarHBondContact O-N 3.26Å; I504-G507 PolarHBondContact O-N 3.19Å; I504-R509 PolarHBondContact O-NH1 3.4Å
505E93.6Very high93.2Very high101 Ų10171 Ų7147%0.47236%0.364SS..Hα-helixtrans-66.1-30.6177.8-71.7178.7150.300112.4R464 L501 H503 G507R464-E505 IonicContact NH1-OE1 3.7Å; L501-E505 HydrophobicContact CD1-CG 4.18Å; L501-E505 HydrophobicContact CG-CG 4.38Å; L501-E505 WeakPolarHBondContact O-CG 3.26Å; L501-E505 PolarHBondContact O-N 3.38Å; H503-E505 VanDerWaalsContact C-N 3.26Å; H503-E505 PolarHBondContact O-N 3.37Å; E505-G507 PolarHBondContact O-N 2.99Å
506S94.8Very high93.3Very high94 Ų9470.4 Ų70.466%0.65736%0.362SS*.THydrogen-bonded Turntrans-778.4171.183.90000113.8R502 H503 I504R502-S506 PolarHBondContact O-N 3.45Å; R502-S506 VanDerWaalsContact O-N 3.12Å; H503-S506 PolarHBondContact O-N 2.78Å; H503-S506 VanDerWaalsContact O-N 3.14Å; H503-S506 PolarHBondContact O-OG 2.97Å; I504-S506 VanDerWaalsContact C-N 3.31Å; I504-S506 PolarHBondContact O-N 3.26Å
507G94.6Very high93.6Very high52 Ų5268 Ų6854%0.53635%0.354SS..THydrogen-bonded Turntrans88.51.9179.600000115.2H503 I504 E505H503-G507 PolarHBondContact O-N 2.93Å; I504-G507 PolarHBondContact O-N 3.19Å; E505-G507 PolarHBondContact O-N 2.99Å
508Y96.6Very high94Very high80 Ų8070.7 Ų70.731%0.31437%0.37SS..  trans-64.7139.2177.6177.9-96.6000111.3Y492 M495 H503 M510Y492-Y508 HydrophobicContact CD1-CD1 4.36Å; Y492-Y508 AromaticContact CD1-CE1 3.86Å; Y492-Y508 HydrophobicContact CD1-CE1 3.86Å; Y492-Y508 HydrophobicContact CE1-CD1 4.26Å; Y492-Y508 HydrophobicContact CE1-CE1 4.05Å; M495-Y508 HydrophobicContact SD-CE1 4.34Å; H503-Y508 HydrophobicContact CB-CD1 4.4Å; H503-Y508 HydrophobicContact CB-CG 4.39Å; H503-Y508 WeakPolarHBondContact O-CB 3.41Å; H503-Y508 PolarHBondContact O-N 3.45Å; Y508-M510 HydrophobicContact CE1-CG 4.38Å
509R97.1Very high94.5Very high42 Ų4268.3 Ų68.316%0.15836%0.36CS..  trans-131.9149.2166.5-62.5-62.3-179-882.3109I504 L525 W528 S530I504-R509 PolarHBondContact O-NH1 3.4Å; R509-L525 HydrophobicContact CB-CD2 4.12Å; R509-L525 HydrophobicContact CG-CD2 4.42Å; R509-W528 HydrophobicContact CB-CE3 4.42Å; R509-W528 VanDerWaalsContact CZ-O 3.23Å; R509-W528 PolarHBondContact NE-O 3.38Å; R509-W528 PolarHBondContact NH2-O 3.05Å; R509-S530 PolarHBondContact NH2-OG 3.19Å
510M96.7Very high94.8Very high1 Ų165 Ų651%0.00535%0.345CS..PPolyproline II helixtrans-61.1141.1179.2-71.1-172.9-68.600110.6I479 W482 P491 Y492 Y508 Y521 W528I479-M510 HydrophobicContact CD1-CE 3.43Å; I479-M510 VanDerWaalsContact CD1-CE 3.43Å; W482-M510 HydrophobicContact CB-CE 3.99Å; W482-M510 HydrophobicContact CD2-CE 3.9Å; W482-M510 HydrophobicContact CD2-SD 3.89Å; W482-M510 HydrophobicContact CE3-CE 4.44Å; W482-M510 HydrophobicContact CE3-SD 4.26Å; W482-M510 HydrophobicContact CG-CE 3.67Å; W482-M510 HydrophobicContact CG-SD 4.23Å; W482-M510 HydrophobicContact CZ2-SD 4.27Å; P491-M510 HydrophobicContact CB-CE 4.24Å; P491-M510 HydrophobicContact CB-SD 3.95Å; Y492-M510 HydrophobicContact CD1-CG 3.68Å; Y492-M510 HydrophobicContact CD1-SD 4.18Å; Y492-M510 HydrophobicContact CD2-SD 4.07Å; Y492-M510 HydrophobicContact CE1-CG 3.62Å; Y492-M510 HydrophobicContact CE1-SD 4.27Å; Y492-M510 HydrophobicContact CE2-CE 4.23Å; Y492-M510 HydrophobicContact CE2-SD 4.14Å; Y492-M510 HydrophobicContact CG-CG 4.17Å; Y492-M510 HydrophobicContact CG-SD 4.07Å; Y492-M510 PolarHBondContact N-SD 3.25Å; Y508-M510 HydrophobicContact CE1-CG 4.38Å; M510-Y521 WeakPolarHBondContact O-CE2 3.44Å; M510-Y521 PolarHBondContact O-OH 3.41Å; M510-W528 HydrophobicContact CB-CH2 4.43Å; M510-W528 HydrophobicContact CB-CZ3 4.45Å; M510-W528 HydrophobicContact CE-CH2 3.71Å; M510-W528 HydrophobicContact CE-CZ2 3.71Å
511K96.7Very high95Very high166 Ų16667.3 Ų67.372%0.72235%0.354SS*.PPolyproline II helixtrans-63152.9173-62-176178.9-174.90110.6W482W482-K511 PolarHBondContact NE1-O 3.01Å
512S97.4Very high95.3Very high49 Ų4967.5 Ų67.534%0.34336%0.361SS..PPolyproline II helixtrans-53.1134.7172.5-173.80000110.6Y521S512-Y521 VanDerWaalsContact CA-CE2 3.4Å; S512-Y521 VanDerWaalsContact N-CE2 3.29Å
513P95.9Very high95.5Very high10 Ų1058.1 Ų58.17%0.06533%0.326CS..PPolyproline II helixtrans-56.3153.8166.7-20.131.5000111.1W482 S486 C516W482-P513 HydrophobicContact CG-CG 4.16Å; S486-P513 VanDerWaalsContact OG-CB 3.31Å; S486-P513 WeakPolarHBondContact OG-CB 3.29Å; S486-P513 VanDerWaalsContact OG-CG 3.26Å; S486-P513 WeakPolarHBondContact OG-CG 3.29Å; P513-C516 HydrophobicContact CB-CB 3.96Å; P513-C516 HydrophobicContact CG-CB 4.17Å; P513-C516 VanDerWaalsContact O-CB 3.29Å; P513-C516 WeakPolarHBondContact O-CB 3.26Å; P513-C516 PolarHBondContact O-N 3.01Å
514E92.7Very high95.7Very high106 Ų10654.5 Ų54.550%0.49531%0.309SS..THydrogen-bonded Turntrans-60.1136.7172.5-164.1177.6-155.200109.5R321 C516R321-E514 IonicContact CZ-OE2 3.58Å; R321-E514 IonicContact NH1-OE2 3.49Å; R321-E514 PolarHBondContact NH1-OE2 3.43Å; R321-E514 IonicContact NH2-OE2 2.76Å; R321-E514 PolarHBondContact NH2-OE2 3.49Å; E514-C516 PolarHBondContact O-N 2.92Å
515D88.5Confident95.8Very high108 Ų10857.1 Ų57.158%0.57832%0.323SS*.THydrogen-bonded Turntrans61.38.2-178-46.4-45.7000115.8R321 P517R321-D515 IonicContact NH1-OD2 3.88Å; D515-P517 WeakPolarHBondContact O-CD 3.31Å
516C94.2Very high96Very high16 Ų1656.2 Ų56.211%0.10832%0.315CS..  trans-69.4127.9176.3-176.10000110.6Y485 P513 E514 S518Y485-C516 HydrophobicContact CD1-CB 4.32Å; P513-C516 HydrophobicContact CB-CB 3.96Å; P513-C516 HydrophobicContact CG-CB 4.17Å; P513-C516 VanDerWaalsContact O-CB 3.29Å; P513-C516 WeakPolarHBondContact O-CB 3.26Å; P513-C516 PolarHBondContact O-N 3.01Å; E514-C516 PolarHBondContact O-N 2.92Å; C516-S518 PolarHBondContact O-N 3.45Å
517P94.6Very high96.2Very high46 Ų4651.7 Ų51.730%0.29928%0.284SS..  trans-55.8134.5173.9-24.934000111.6Y485 D515 T519 V520 Y521Y485-P517 HydrophobicContact CE1-CG 4.35Å; D515-P517 WeakPolarHBondContact O-CD 3.31Å; P517-T519 PolarHBondContact O-N 2.9Å; P517-T519 VanDerWaalsContact O-N 3.16Å; P517-V520 HydrophobicContact CB-CB 4.38Å; P517-V520 HydrophobicContact CB-CG2 4Å; P517-V520 HydrophobicContact CG-CG2 4.2Å; P517-V520 WeakPolarHBondContact O-CB 3.5Å; P517-V520 PolarHBondContact O-N 3.07Å; P517-Y521 PolarHBondContact O-N 3.4Å
518S95.2Very high96.4Very high98 Ų9849.3 Ų49.369%0.68526%0.259SS*.Hα-helixtrans-57.7-33.1-178560000112.7C516 Y521 A522C516-S518 PolarHBondContact O-N 3.45Å; S518-Y521 PolarHBondContact O-N 3.26Å; S518-A522 VanDerWaalsContact O-CB 3.32Å; S518-A522 WeakPolarHBondContact O-CB 3.03Å; S518-A522 PolarHBondContact O-N 2.98Å
519T95.2Very high96.5Very high71 Ų7149.2 Ų49.244%0.43626%0.261SS..Hα-helixtrans-64.7-42.7175.4500000112.4P517 A522 L523 L548P517-T519 PolarHBondContact O-N 2.9Å; P517-T519 VanDerWaalsContact O-N 3.16Å; T519-A522 PolarHBondContact O-N 2.83Å; T519-L523 PolarHBondContact O-N 2.95Å; T519-L548 HydrophobicContact CG2-CD2 4.23Å; T519-L548 WeakPolarHBondContact OG1-CD2 3.45Å
520V96.8Very high96.4Very high3 Ų350.8 Ų50.82%0.01828%0.279CS..Hα-helixtrans-66.4-43.9176.1177.30000110Y485 P517 L523 M524 L548Y485-V520 HydrophobicContact CD2-CG1 4.03Å; Y485-V520 HydrophobicContact CE1-CG1 4.16Å; Y485-V520 HydrophobicContact CE1-CG2 4.26Å; Y485-V520 HydrophobicContact CE2-CG1 3.63Å; Y485-V520 HydrophobicContact CG-CG1 4.47Å; P517-V520 HydrophobicContact CB-CB 4.38Å; P517-V520 HydrophobicContact CB-CG2 4Å; P517-V520 HydrophobicContact CG-CG2 4.2Å; P517-V520 WeakPolarHBondContact O-CB 3.5Å; P517-V520 PolarHBondContact O-N 3.07Å; V520-L523 WeakPolarHBondContact O-CB 3.5Å; V520-L523 PolarHBondContact O-N 2.84Å; V520-M524 HydrophobicContact CG1-CE 3.67Å; V520-M524 WeakPolarHBondContact O-CG 3.08Å; V520-M524 PolarHBondContact O-N 3.01Å; V520-L548 HydrophobicContact CG2-CD1 3.84Å
521Y98.1Very high96.3Very high50 Ų5055.7 Ų55.720%0.19630%0.301CS..Hα-helixtrans-65.7-39177.5-178.2-115.5000112.7M510 S512 P517 S518 L523 M524 L525 W528M510-Y521 WeakPolarHBondContact O-CE2 3.44Å; M510-Y521 PolarHBondContact O-OH 3.41Å; S512-Y521 VanDerWaalsContact CA-CE2 3.4Å; S512-Y521 VanDerWaalsContact N-CE2 3.29Å; P517-Y521 PolarHBondContact O-N 3.4Å; S518-Y521 PolarHBondContact O-N 3.26Å; Y521-L523 VanDerWaalsContact C-N 3.27Å; Y521-L523 PolarHBondContact O-N 2.9Å; Y521-M524 HydrophobicContact CD2-SD 4.29Å; Y521-M524 WeakPolarHBondContact O-CB 3.25Å; Y521-M524 PolarHBondContact O-N 2.87Å; Y521-M524 VanDerWaalsContact O-N 3.13Å; Y521-L525 HydrophobicContact CD1-CD1 4.1Å; Y521-L525 HydrophobicContact CD1-CG 4.5Å; Y521-L525 HydrophobicContact CE1-CD1 3.69Å; Y521-L525 HydrophobicContact CE1-CD2 4.46Å; Y521-L525 HydrophobicContact CE1-CG 4.12Å; Y521-L525 HydrophobicContact CE2-CD2 4.46Å; Y521-L525 HydrophobicContact CE2-CG 4.43Å; Y521-L525 PolarHBondContact O-N 3.49Å; Y521-W528 HydrophobicContact CE2-CZ3 4.47Å
522A97.9Very high96.4Very high47 Ų4749.1 Ų49.139%0.38828%0.276SS..Hα-helixtrans-60.9-37.2173.300000112.1S518 T519 L525 R526S518-A522 VanDerWaalsContact O-CB 3.32Å; S518-A522 WeakPolarHBondContact O-CB 3.03Å; S518-A522 PolarHBondContact O-N 2.98Å; T519-A522 PolarHBondContact O-N 2.83Å; A522-L525 PolarHBondContact O-N 2.76Å; A522-R526 PolarHBondContact O-N 2.81Å
523L98.2Very high96.3Very high0 Ų050.9 Ų50.90%029%0.288CS..Hα-helixtrans-65.1-43172174.262.7000111.6T519 V520 Y521 L525 R526 M527 I541 L545T519-L523 PolarHBondContact O-N 2.95Å; V520-L523 WeakPolarHBondContact O-CB 3.5Å; V520-L523 PolarHBondContact O-N 2.84Å; Y521-L523 VanDerWaalsContact C-N 3.27Å; Y521-L523 PolarHBondContact O-N 2.9Å; L523-L525 VanDerWaalsContact C-N 3.35Å; L523-L525 PolarHBondContact O-N 3.2Å; L523-R526 PolarHBondContact O-N 2.81Å; L523-M527 HydrophobicContact CD1-CE 3.72Å; L523-M527 HydrophobicContact CD2-CE 4.04Å; L523-M527 HydrophobicContact CG-CE 3.51Å; L523-M527 WeakPolarHBondContact O-CG 3.4Å; L523-M527 PolarHBondContact O-N 2.8Å; L523-I541 HydrophobicContact CD1-CG1 4.21Å; L523-I541 HydrophobicContact CD1-CG2 4.38Å; L523-I541 HydrophobicContact CD2-CG2 4.36Å; L523-L545 HydrophobicContact CD2-CD2 3.7Å; L523-L545 HydrophobicContact CD2-CG 4.05Å
524M98.6Very high96.4Very high0 Ų055.4 Ų55.40%031%0.312CS..Hα-helixtrans-57.7-44.3173.1-61.8-179.1-161.400112.2L481 W482 Y485 V520 Y521 R526 M527 W528L481-M524 HydrophobicContact CB-CE 3.67Å; L481-M524 HydrophobicContact CB-CG 4.05Å; L481-M524 HydrophobicContact CB-SD 4.27Å; L481-M524 HydrophobicContact CD1-CG 4.26Å; W482-M524 HydrophobicContact CB-SD 4.05Å; Y485-M524 HydrophobicContact CD2-CE 4.06Å; Y485-M524 HydrophobicContact CG-CE 4.31Å; V520-M524 HydrophobicContact CG1-CE 3.67Å; V520-M524 WeakPolarHBondContact O-CG 3.08Å; V520-M524 PolarHBondContact O-N 3.01Å; Y521-M524 HydrophobicContact CD2-SD 4.29Å; Y521-M524 WeakPolarHBondContact O-CB 3.25Å; Y521-M524 PolarHBondContact O-N 2.87Å; Y521-M524 VanDerWaalsContact O-N 3.13Å; M524-R526 VanDerWaalsContact C-N 3.27Å; M524-R526 PolarHBondContact O-N 2.83Å; M524-M527 WeakPolarHBondContact O-CB 3.37Å; M524-M527 PolarHBondContact O-N 2.78Å; M524-W528 HydrophobicContact CB-CE3 4.32Å; M524-W528 HydrophobicContact CB-CH2 3.91Å; M524-W528 HydrophobicContact CB-CZ2 4.25Å; M524-W528 HydrophobicContact CB-CZ3 3.95Å; M524-W528 HydrophobicContact CG-CH2 4.48Å; M524-W528 PolarHBondContact O-N 3.44Å; M524-W528 VanDerWaalsContact O-N 3.08Å; M524-W528 HydrophobicContact SD-CH2 4.07Å
525L98.5Very high96.7Very high60 Ų6050.6 Ų50.631%0.31429%0.289SS..Hα-helixtrans-61.5-32.6178.8-71.6174.6000113.1R509 Y521 A522 L523 W528 Q529R509-L525 HydrophobicContact CB-CD2 4.12Å; R509-L525 HydrophobicContact CG-CD2 4.42Å; Y521-L525 HydrophobicContact CD1-CD1 4.1Å; Y521-L525 HydrophobicContact CD1-CG 4.5Å; Y521-L525 HydrophobicContact CE1-CD1 3.69Å; Y521-L525 HydrophobicContact CE1-CD2 4.46Å; Y521-L525 HydrophobicContact CE1-CG 4.12Å; Y521-L525 HydrophobicContact CE2-CD2 4.46Å; Y521-L525 HydrophobicContact CE2-CG 4.43Å; Y521-L525 PolarHBondContact O-N 3.49Å; A522-L525 PolarHBondContact O-N 2.76Å; L523-L525 VanDerWaalsContact C-N 3.35Å; L523-L525 PolarHBondContact O-N 3.2Å; L525-W528 HydrophobicContact CD2-CE3 4.39Å; L525-W528 PolarHBondContact O-N 3.02Å; L525-Q529 PolarHBondContact O-NE2 3.01Å; L525-Q529 VanDerWaalsContact O-NE2 3.15Å
526R98.3Very high97.2Very high81 Ų8146 Ų4631%0.30627%0.265SS..Hα-helixtrans-74.1-29.6173.5-73.1-175.4-63.6126.80.8113A522 L523 M524 W528 Q529 P536 E544A522-R526 PolarHBondContact O-N 2.81Å; L523-R526 PolarHBondContact O-N 2.81Å; M524-R526 VanDerWaalsContact C-N 3.27Å; M524-R526 PolarHBondContact O-N 2.83Å; R526-W528 VanDerWaalsContact C-N 3.27Å; R526-Q529 VanDerWaalsContact O-CG 3.31Å; R526-Q529 WeakPolarHBondContact O-CG 3.36Å; R526-P536 HydrophobicContact CB-CG 4.49Å; R526-P536 WeakPolarHBondContact O-CD 3.47Å; R526-E544 IonicContact CZ-OE1 3.76Å; R526-E544 IonicContact CZ-OE2 3.05Å; R526-E544 IonicContact NH1-OE1 2.78Å; R526-E544 PolarHBondContact NH1-OE1 2.98Å; R526-E544 IonicContact NH1-OE2 3.08Å; R526-E544 IonicContact NH2-OE1 2.61Å; R526-E544 PolarHBondContact NH2-OE1 3.41Å; R526-E544 IonicContact NH2-OE2 2.97Å; R526-E544 PolarHBondContact NH2-OE2 2.87Å
527M98.7Very high97.3Very high0 Ų046.3 Ų46.30%027%0.268CS..Hα-helixtrans-71.2-25.5171.6-60.7-173.9-151.900112.5V474 F477 G478 L481 L523 M524 R535 P536 I541V474-M527 HydrophobicContact CG1-CB 3.93Å; V474-M527 HydrophobicContact CG1-CG 3.86Å; V474-M527 HydrophobicContact CG1-SD 4.47Å; F477-M527 HydrophobicContact CB-SD 4.46Å; F477-M527 HydrophobicContact CD1-CE 3.76Å; F477-M527 HydrophobicContact CD1-SD 3.6Å; F477-M527 HydrophobicContact CE1-CE 3.92Å; F477-M527 HydrophobicContact CE1-SD 4.36Å; F477-M527 HydrophobicContact CG-SD 4.46Å; G478-M527 WeakPolarHBondContact CA-SD 3.35Å; G478-M527 PolarHBondContact N-SD 3.16Å; G478-M527 VanDerWaalsContact N-SD 3.42Å; L481-M527 HydrophobicContact CD1-CE 3.49Å; L481-M527 VanDerWaalsContact CD1-CE 3.49Å; L481-M527 HydrophobicContact CD1-SD 4.32Å; L523-M527 HydrophobicContact CD1-CE 3.72Å; L523-M527 HydrophobicContact CD2-CE 4.04Å; L523-M527 HydrophobicContact CG-CE 3.51Å; L523-M527 WeakPolarHBondContact O-CG 3.4Å; L523-M527 PolarHBondContact O-N 2.8Å; M524-M527 WeakPolarHBondContact O-CB 3.37Å; M524-M527 PolarHBondContact O-N 2.78Å; M527-R535 VanDerWaalsContact O-CD 3.24Å; M527-R535 WeakPolarHBondContact O-CD 3.44Å; M527-R535 WeakPolarHBondContact O-CG 3.37Å; M527-P536 HydrophobicContact CG-CG 4.38Å; M527-I541 HydrophobicContact CE-CB 4.44Å; M527-I541 HydrophobicContact CE-CD1 3.9Å; M527-I541 HydrophobicContact CE-CG1 3.99Å; M527-I541 HydrophobicContact CE-CG2 3.57Å; M527-I541 HydrophobicContact CG-CD1 4.11Å; M527-I541 HydrophobicContact SD-CD1 3.99Å
528W98.5Very high97.5Very high1 Ų144.3 Ų44.30%0.00426%0.255CS..THydrogen-bonded Turntrans-96.726.3178-56.2-35.7000114W475 G478 I479 W482 R509 M510 Y521 M524 L525 R526 S530W475-W528 AromaticContact CD2-CD1 3.72Å; W475-W528 AromaticContact CE2-CD1 3.83Å; W475-W528 HydrophobicContact CE3-CB 4.15Å; W475-W528 HydrophobicContact CE3-CG 4.48Å; W475-W528 HydrophobicContact CH2-CB 3.99Å; W475-W528 HydrophobicContact CH2-CG 4.43Å; W475-W528 HydrophobicContact CZ2-CG 4.47Å; W475-W528 HydrophobicContact CZ3-CB 3.83Å; W475-W528 HydrophobicContact CZ3-CG 4.46Å; W475-W528 WeakPolarHBondContact CZ3-O 3.17Å; W475-W528 PolarHBondContact O-NE1 3.33Å; G478-W528 VanDerWaalsContact C-CZ2 3.46Å; G478-W528 VanDerWaalsContact O-CZ2 3.28Å; G478-W528 WeakPolarHBondContact O-CZ2 3.08Å; I479-W528 HydrophobicContact CD1-CZ2 3.71Å; I479-W528 HydrophobicContact CG1-CZ2 4.46Å; W482-W528 HydrophobicContact CB-CH2 4.09Å; W482-W528 HydrophobicContact CB-CZ2 4.19Å; W482-W528 HydrophobicContact CG-CH2 4.32Å; R509-W528 HydrophobicContact CB-CE3 4.42Å; R509-W528 VanDerWaalsContact CZ-O 3.23Å; R509-W528 PolarHBondContact NE-O 3.38Å; R509-W528 PolarHBondContact NH2-O 3.05Å; M510-W528 HydrophobicContact CB-CH2 4.43Å; M510-W528 HydrophobicContact CB-CZ3 4.45Å; M510-W528 HydrophobicContact CE-CH2 3.71Å; M510-W528 HydrophobicContact CE-CZ2 3.71Å; Y521-W528 HydrophobicContact CE2-CZ3 4.47Å; M524-W528 HydrophobicContact CB-CE3 4.32Å; M524-W528 HydrophobicContact CB-CH2 3.91Å; M524-W528 HydrophobicContact CB-CZ2 4.25Å; M524-W528 HydrophobicContact CB-CZ3 3.95Å; M524-W528 HydrophobicContact CG-CH2 4.48Å; M524-W528 PolarHBondContact O-N 3.44Å; M524-W528 VanDerWaalsContact O-N 3.08Å; M524-W528 HydrophobicContact SD-CH2 4.07Å; L525-W528 HydrophobicContact CD2-CE3 4.39Å; L525-W528 PolarHBondContact O-N 3.02Å; R526-W528 VanDerWaalsContact C-N 3.27Å; W528-S530 PolarHBondContact O-N 2.95Å
529Q98.1Very high97.7Very high78 Ų7841.4 Ų41.436%0.36423%0.233SC..  trans-61.5136.8168.8-67.2-59.9-44.500110.1L525 R526 E531 N534 R535L525-Q529 PolarHBondContact O-NE2 3.01Å; L525-Q529 VanDerWaalsContact O-NE2 3.15Å; R526-Q529 VanDerWaalsContact O-CG 3.31Å; R526-Q529 WeakPolarHBondContact O-CG 3.36Å; Q529-E531 VanDerWaalsContact C-N 3.32Å; Q529-E531 PolarHBondContact O-N 3.37Å; Q529-N534 HydrophobicContact CB-CB 3.85Å; Q529-N534 HydrophobicContact CG-CB 4.1Å; Q529-R535 HydrophobicContact CB-CG 4.02Å; Q529-R535 PolarHBondContact O-NE 3.09Å; Q529-R535 PolarHBondContact O-NH2 2.95Å
530S95.5Very high97.8Very high75 Ų7542.2 Ų42.252%0.52423%0.231SC..SBendtrans-59.7-46.5-178.1-62.10000110.7R509 W528 R535R509-S530 PolarHBondContact NH2-OG 3.19Å; W528-S530 PolarHBondContact O-N 2.95Å; S530-R535 PolarHBondContact O-NH2 3.37Å
531E95.5Very high97.9Very high104 Ų10442 Ų4249%0.48623%0.23SC..SBendtrans-78.4122.9175.8-175.255.9-140.200110.8Q529 S533 N534Q529-E531 VanDerWaalsContact C-N 3.32Å; Q529-E531 PolarHBondContact O-N 3.37Å; E531-S533 VanDerWaalsContact C-N 3.28Å; E531-S533 VanDerWaalsContact CG-OG 3.25Å; E531-S533 WeakPolarHBondContact CG-OG 3.35Å; E531-S533 PolarHBondContact O-N 3.1Å; E531-N534 HydrophobicContact CB-CB 4.45Å; E531-N534 PolarHBondContact O-N 3.37Å
532P97.1Very high97.9Very high28 Ų2840 Ų4018%0.18222%0.223CC..G310 helixtrans-58.5-34.7-178.4-2735.7000114.5E461 K471 N534 R535E461-P532 HydrophobicContact CG-CG 3.95Å; K471-P532 HydrophobicContact CB-CB 3.84Å; K471-P532 HydrophobicContact CG-CB 4.37Å; P532-N534 PolarHBondContact O-N 2.91Å; P532-R535 WeakPolarHBondContact O-CB 3.44Å; P532-R535 PolarHBondContact O-N 2.75Å
533S96.7Very high97.9Very high87 Ų8744.1 Ų44.161%0.60823%0.228SC*.G310 helixtrans-66.3-25-179.9620000113.3E531 R535E531-S533 VanDerWaalsContact C-N 3.28Å; E531-S533 VanDerWaalsContact CG-OG 3.25Å; E531-S533 WeakPolarHBondContact CG-OG 3.35Å; E531-S533 PolarHBondContact O-N 3.1Å; S533-R535 VanDerWaalsContact C-N 3.31Å
534N97.9Very high97.8Very high105 Ų10547.2 Ų47.256%0.56124%0.243SC*.G310 helixtrans-81.5-8.3177-69.6-23.7000113.5Q529 E531 P532Q529-N534 HydrophobicContact CB-CB 3.85Å; Q529-N534 HydrophobicContact CG-CB 4.1Å; E531-N534 HydrophobicContact CB-CB 4.45Å; E531-N534 PolarHBondContact O-N 3.37Å; P532-N534 PolarHBondContact O-N 2.91Å
535R98.4Very high97.7Very high4 Ų447.2 Ų47.22%0.01524%0.243CC..SBendtrans-79.8140.9176.4-56.3174.3-165.9154.910.3109.2E461 K471 V474 M527 Q529 S530 P532 S533E461-R535 IonicContact OE1-CZ 2.9Å; E461-R535 IonicContact OE1-NH1 2.73Å; E461-R535 PolarHBondContact OE1-NH1 2.82Å; E461-R535 IonicContact OE1-NH2 2.79Å; E461-R535 PolarHBondContact OE1-NH2 3.43Å; E461-R535 IonicContact OE2-CZ 3.84Å; E461-R535 IonicContact OE2-NH1 3.16Å; E461-R535 IonicContact OE2-NH2 2.91Å; E461-R535 PolarHBondContact OE2-NH2 3.26Å; K471-R535 HydrophobicContact CD-CB 4.34Å; K471-R535 PolarHBondContact NZ-O 2.89Å; K471-R535 WeakPolarHBondContact O-CD 3.34Å; K471-R535 PolarHBondContact O-NH1 2.98Å; V474-R535 HydrophobicContact CG1-CB 4Å; M527-R535 VanDerWaalsContact O-CD 3.24Å; M527-R535 WeakPolarHBondContact O-CD 3.44Å; M527-R535 WeakPolarHBondContact O-CG 3.37Å; Q529-R535 HydrophobicContact CB-CG 4.02Å; Q529-R535 PolarHBondContact O-NE 3.09Å; Q529-R535 PolarHBondContact O-NH2 2.95Å; S530-R535 PolarHBondContact O-NH2 3.37Å; P532-R535 WeakPolarHBondContact O-CB 3.44Å; P532-R535 PolarHBondContact O-N 2.75Å; S533-R535 VanDerWaalsContact C-N 3.31Å
536P98.4Very high97.6Very high11 Ų1145.9 Ų45.97%0.07124%0.236CC..PPolyproline II helixtrans-63.7159176.427.1-33.2000111.8K471 R526 M527 E540 I541K471-P536 PolarHBondContact NZ-O 3.25Å; R526-P536 HydrophobicContact CB-CG 4.49Å; R526-P536 WeakPolarHBondContact O-CD 3.47Å; M527-P536 HydrophobicContact CG-CG 4.38Å; P536-E540 WeakPolarHBondContact CA-OE2 3.47Å; P536-E540 HydrophobicContact CB-CB 4.11Å; P536-I541 HydrophobicContact CB-CD1 4.49Å; P536-I541 HydrophobicContact CB-CG1 3.96Å; P536-I541 HydrophobicContact CG-CD1 3.98Å; P536-I541 HydrophobicContact CG-CG1 3.66Å
537S98.2Very high97.4Very high24 Ų2446.5 Ų46.517%0.16825%0.245CC..PPolyproline II helixtrans-73.1162166.259.70000111.2V539 E540 I541S537-V539 PolarHBondContact O-N 3.32Å; S537-E540 WeakPolarHBondContact CB-OE2 3.47Å; S537-E540 PolarHBondContact N-OE2 3.26Å; S537-E540 PolarHBondContact O-N 3.24Å; S537-E540 VanDerWaalsContact OG-CD 3.29Å; S537-E540 VanDerWaalsContact OG-CG 3.26Å; S537-E540 WeakPolarHBondContact OG-CG 3.5Å; S537-E540 PolarHBondContact OG-N 3.19Å; S537-E540 PolarHBondContact OG-OE2 3.37Å; S537-I541 VanDerWaalsContact O-CG1 3.24Å; S537-I541 WeakPolarHBondContact O-CG1 3.47Å; S537-I541 PolarHBondContact O-N 2.72Å; S537-I541 VanDerWaalsContact O-N 3.08Å
538F98.6Very high97.1Very high4 Ų448.2 Ų48.22%0.01825%0.254CS..Hα-helixtrans-64.6-29.3175.4-76.1-69.5000112.3C337 L340 V341 E344 D473 V474 F477 I541 L542C337-F538 PolarHBondContact SG-O 2.78Å; L340-F538 HydrophobicContact CB-CD1 3.6Å; L340-F538 HydrophobicContact CB-CD2 4.01Å; L340-F538 HydrophobicContact CB-CE1 3.58Å; L340-F538 HydrophobicContact CB-CE2 3.97Å; L340-F538 HydrophobicContact CB-CG 3.82Å; L340-F538 HydrophobicContact CB-CZ 3.75Å; L340-F538 HydrophobicContact CD1-CD1 4.09Å; L340-F538 HydrophobicContact CD1-CE1 3.32Å; L340-F538 HydrophobicContact CD1-CZ 3.62Å; L340-F538 HydrophobicContact CG-CD1 4.48Å; L340-F538 HydrophobicContact CG-CE1 4.04Å; L340-F538 HydrophobicContact CG-CZ 4.18Å; V341-F538 HydrophobicContact CB-CB 4.43Å; V341-F538 HydrophobicContact CG2-CB 3.61Å; V341-F538 WeakPolarHBondContact CG2-O 3.45Å; E344-F538 HydrophobicContact CB-CD2 4.08Å; E344-F538 WeakPolarHBondContact OE2-CB 3.49Å; E344-F538 PolarHBondContact OE2-N 3.17Å; D473-F538 HydrophobicContact CB-CE2 4.16Å; D473-F538 HydrophobicContact CB-CZ 4.04Å; V474-F538 HydrophobicContact CB-CZ 4.36Å; V474-F538 HydrophobicContact CG2-CD1 4.43Å; V474-F538 HydrophobicContact CG2-CD2 4Å; V474-F538 HydrophobicContact CG2-CE1 4.1Å; V474-F538 HydrophobicContact CG2-CE2 3.66Å; V474-F538 HydrophobicContact CG2-CG 4.38Å; V474-F538 HydrophobicContact CG2-CZ 3.71Å; F477-F538 HydrophobicContact CB-CE1 3.76Å; F477-F538 HydrophobicContact CB-CZ 4.28Å; F477-F538 HydrophobicContact CD1-CE1 4.11Å; F477-F538 AromaticContact CG-CE1 3.89Å; F477-F538 HydrophobicContact CG-CE1 3.89Å; F538-I541 HydrophobicContact CD1-CD1 4.15Å; F538-I541 PolarHBondContact O-N 3.4Å; F538-L542 VanDerWaalsContact O-CB 3.29Å; F538-L542 WeakPolarHBondContact O-CB 3.3Å; F538-L542 PolarHBondContact O-N 2.73Å
539V98.2Very high96.7Very high37 Ų3750.6 Ų50.622%0.22427%0.265CS..Hα-helixtrans-64.7-43175.5176.80000111.6V341 S537 L542 R543 L649V341-V539 HydrophobicContact CG1-CG2 3.93Å; V341-V539 HydrophobicContact CG2-CG2 4.26Å; S537-V539 PolarHBondContact O-N 3.32Å; V539-L542 PolarHBondContact O-N 3.35Å; V539-R543 PolarHBondContact O-N 3.46Å; V539-R543 VanDerWaalsContact O-N 3.11Å; V539-L649 HydrophobicContact CG1-CD2 4.15Å
540E98.1Very high96Very high87 Ų8751.1 Ų51.141%0.40727%0.271SS..Hα-helixtrans-65.4-45.1176-71.5163.2137.500111.4P536 S537 L542 R543 E544P536-E540 WeakPolarHBondContact CA-OE2 3.47Å; P536-E540 HydrophobicContact CB-CB 4.11Å; S537-E540 WeakPolarHBondContact CB-OE2 3.47Å; S537-E540 PolarHBondContact N-OE2 3.26Å; S537-E540 PolarHBondContact O-N 3.24Å; S537-E540 VanDerWaalsContact OG-CD 3.29Å; S537-E540 VanDerWaalsContact OG-CG 3.26Å; S537-E540 WeakPolarHBondContact OG-CG 3.5Å; S537-E540 PolarHBondContact OG-N 3.19Å; S537-E540 PolarHBondContact OG-OE2 3.37Å; E540-L542 PolarHBondContact O-N 2.76Å; E540-R543 PolarHBondContact O-N 3.33Å; E540-E544 PolarHBondContact O-N 3.38Å
541I98.5Very high95.5Very high0 Ų051.2 Ų51.20%027%0.268CS..Hα-helixtrans-58.4-47.5176.4-64.5166.4000110.7V474 F477 L523 M527 P536 S537 F538 R543 E544 L545V474-I541 HydrophobicContact CG1-CD1 3.83Å; V474-I541 HydrophobicContact CG2-CD1 4.31Å; F477-I541 HydrophobicContact CD1-CD1 4.48Å; F477-I541 HydrophobicContact CD1-CG2 4.12Å; F477-I541 HydrophobicContact CE1-CG2 3.61Å; L523-I541 HydrophobicContact CD1-CG1 4.21Å; L523-I541 HydrophobicContact CD1-CG2 4.38Å; L523-I541 HydrophobicContact CD2-CG2 4.36Å; M527-I541 HydrophobicContact CE-CB 4.44Å; M527-I541 HydrophobicContact CE-CD1 3.9Å; M527-I541 HydrophobicContact CE-CG1 3.99Å; M527-I541 HydrophobicContact CE-CG2 3.57Å; M527-I541 HydrophobicContact CG-CD1 4.11Å; M527-I541 HydrophobicContact SD-CD1 3.99Å; P536-I541 HydrophobicContact CB-CD1 4.49Å; P536-I541 HydrophobicContact CB-CG1 3.96Å; P536-I541 HydrophobicContact CG-CD1 3.98Å; P536-I541 HydrophobicContact CG-CG1 3.66Å; S537-I541 VanDerWaalsContact O-CG1 3.24Å; S537-I541 WeakPolarHBondContact O-CG1 3.47Å; S537-I541 PolarHBondContact O-N 2.72Å; S537-I541 VanDerWaalsContact O-N 3.08Å; F538-I541 HydrophobicContact CD1-CD1 4.15Å; F538-I541 PolarHBondContact O-N 3.4Å; I541-R543 VanDerWaalsContact C-N 3.34Å; I541-R543 PolarHBondContact O-N 3.29Å; I541-E544 PolarHBondContact O-N 3.11Å; I541-L545 HydrophobicContact CG2-CD1 4Å; I541-L545 HydrophobicContact CG2-CG 4.38Å; I541-L545 WeakPolarHBondContact O-CG 3.47Å; I541-L545 PolarHBondContact O-N 3.13Å
542L98.4Very high94.4Very high6 Ų648.7 Ų48.73%0.03126%0.257CS..Hα-helixtrans-60.3-44-179.7179.259.5000111.4I334 C337 R338 V341 F538 V539 E540 E544 L545 L546I334-L542 HydrophobicContact CG2-CD1 4.06Å; C337-L542 HydrophobicContact CB-CD1 4.24Å; R338-L542 HydrophobicContact CG-CD1 3.87Å; R338-L542 HydrophobicContact CG-CD2 4Å; V341-L542 HydrophobicContact CG2-CB 4.27Å; V341-L542 HydrophobicContact CG2-CD2 4.02Å; F538-L542 VanDerWaalsContact O-CB 3.29Å; F538-L542 WeakPolarHBondContact O-CB 3.3Å; F538-L542 PolarHBondContact O-N 2.73Å; V539-L542 PolarHBondContact O-N 3.35Å; E540-L542 PolarHBondContact O-N 2.76Å; L542-E544 VanDerWaalsContact C-N 3.28Å; L542-E544 PolarHBondContact O-N 3.38Å; L542-L545 PolarHBondContact O-N 3.31Å; L542-L546 HydrophobicContact CD1-CD1 4.07Å; L542-L546 HydrophobicContact CD1-CG 4.09Å; L542-L546 HydrophobicContact CG-CD1 3.91Å; L542-L546 HydrophobicContact CG-CG 4.38Å; L542-L546 WeakPolarHBondContact O-CB 3.45Å; L542-L546 VanDerWaalsContact O-CG 3.27Å; L542-L546 WeakPolarHBondContact O-CG 3.29Å; L542-L546 PolarHBondContact O-N 3.39Å
543R97.6Very high92.6Very high135 Ų13550.7 Ų50.751%0.50927%0.27SS..Hα-helixtrans-57.3-43.8177.8-171.5-175.4-61.8118.20.4111.3V539 E540 I541 L546 N547V539-R543 PolarHBondContact O-N 3.46Å; V539-R543 VanDerWaalsContact O-N 3.11Å; E540-R543 PolarHBondContact O-N 3.33Å; I541-R543 VanDerWaalsContact C-N 3.34Å; I541-R543 PolarHBondContact O-N 3.29Å; R543-L546 PolarHBondContact O-N 3.05Å; R543-N547 PolarHBondContact O-N 2.84Å; R543-N547 PolarHBondContact O-ND2 2.93Å
544E96.6Very high90.4Very high64 Ų6452 Ų5230%0.29927%0.27SS..Hα-helixtrans-69.1-42.1179.1-69-172-12300113.1R526 E540 I541 L542 L546 N547 L548R526-E544 IonicContact CZ-OE1 3.76Å; R526-E544 IonicContact CZ-OE2 3.05Å; R526-E544 IonicContact NH1-OE1 2.78Å; R526-E544 PolarHBondContact NH1-OE1 2.98Å; R526-E544 IonicContact NH1-OE2 3.08Å; R526-E544 IonicContact NH2-OE1 2.61Å; R526-E544 PolarHBondContact NH2-OE1 3.41Å; R526-E544 IonicContact NH2-OE2 2.97Å; R526-E544 PolarHBondContact NH2-OE2 2.87Å; E540-E544 PolarHBondContact O-N 3.38Å; I541-E544 PolarHBondContact O-N 3.11Å; L542-E544 VanDerWaalsContact C-N 3.28Å; L542-E544 PolarHBondContact O-N 3.38Å; E544-L546 VanDerWaalsContact C-N 3.31Å; E544-L546 PolarHBondContact O-N 3.39Å; E544-N547 PolarHBondContact O-N 3.35Å; E544-L548 WeakPolarHBondContact O-CG 3.21Å; E544-L548 PolarHBondContact O-N 3.25Å
545L97Very high87.8Confident0 Ų054.1 Ų54.10%028%0.279CS..Hα-helixtrans-62.1-39.4175.7-67.3174.6000111.9L330 I334 C337 F477 L523 I541 L542 L548 H549L330-L545 HydrophobicContact CD1-CB 4.28Å; L330-L545 HydrophobicContact CD1-CD2 3.81Å; I334-L545 HydrophobicContact CD1-CB 4.5Å; I334-L545 HydrophobicContact CG1-CB 3.73Å; C337-L545 HydrophobicContact CB-CD1 4.03Å; F477-L545 HydrophobicContact CE1-CD1 4.25Å; F477-L545 HydrophobicContact CZ-CD1 4.17Å; L523-L545 HydrophobicContact CD2-CD2 3.7Å; L523-L545 HydrophobicContact CD2-CG 4.05Å; I541-L545 HydrophobicContact CG2-CD1 4Å; I541-L545 HydrophobicContact CG2-CG 4.38Å; I541-L545 WeakPolarHBondContact O-CG 3.47Å; I541-L545 PolarHBondContact O-N 3.13Å; L542-L545 PolarHBondContact O-N 3.31Å; L545-L548 PolarHBondContact O-N 3.43Å; L545-H549 PolarHBondContact O-N 2.96Å
546L96.2Very high85.2Confident33 Ų3358.8 Ų58.817%0.17331%0.311CS..Hα-helixtrans-65.9-41.1175.2-70.7170.3000111.9I334 L542 R543 E544 L548 H549 N550 I653I334-L546 HydrophobicContact CD1-CD2 4.17Å; I334-L546 HydrophobicContact CG1-CD2 4.49Å; I334-L546 HydrophobicContact CG2-CD2 3.98Å; L542-L546 HydrophobicContact CD1-CD1 4.07Å; L542-L546 HydrophobicContact CD1-CG 4.09Å; L542-L546 HydrophobicContact CG-CD1 3.91Å; L542-L546 HydrophobicContact CG-CG 4.38Å; L542-L546 WeakPolarHBondContact O-CB 3.45Å; L542-L546 VanDerWaalsContact O-CG 3.27Å; L542-L546 WeakPolarHBondContact O-CG 3.29Å; L542-L546 PolarHBondContact O-N 3.39Å; R543-L546 PolarHBondContact O-N 3.05Å; E544-L546 VanDerWaalsContact C-N 3.31Å; E544-L546 PolarHBondContact O-N 3.39Å; L546-L548 VanDerWaalsContact C-N 3.33Å; L546-L548 PolarHBondContact O-N 3.03Å; L546-H549 WeakPolarHBondContact O-CB 3.29Å; L546-H549 PolarHBondContact O-N 2.92Å; L546-H549 VanDerWaalsContact O-N 3.11Å; L546-N550 PolarHBondContact O-N 3.02Å; L546-N550 PolarHBondContact O-ND2 3.19Å; L546-I653 HydrophobicContact CD1-CG2 3.73Å
547N94.4Very high82.2Confident94 Ų9464.6 Ų64.650%0.50334%0.341SS..Hα-helixtrans-59.9-44.6174.7-72.5-15.1000111.3R543 E544 H549 N550 T551R543-N547 PolarHBondContact O-N 2.84Å; R543-N547 PolarHBondContact O-ND2 2.93Å; E544-N547 PolarHBondContact O-N 3.35Å; N547-H549 VanDerWaalsContact C-N 3.27Å; N547-H549 PolarHBondContact O-N 3.46Å; N547-N550 PolarHBondContact O-N 2.98Å; N547-T551 WeakPolarHBondContact O-CG2 3.37Å; N547-T551 PolarHBondContact O-N 2.84Å
548L91.5Very high79.4Confident35 Ų3568.4 Ų68.418%0.18337%0.368CS..Hα-helixtrans-59.6-40174.2-67.8173.6000111.4L330 T519 V520 E544 L545 L546 N550 T551 I552L330-L548 HydrophobicContact CD1-CB 4.4Å; L330-L548 HydrophobicContact CD2-CB 3.98Å; T519-L548 HydrophobicContact CG2-CD2 4.23Å; T519-L548 WeakPolarHBondContact OG1-CD2 3.45Å; V520-L548 HydrophobicContact CG2-CD1 3.84Å; E544-L548 WeakPolarHBondContact O-CG 3.21Å; E544-L548 PolarHBondContact O-N 3.25Å; L545-L548 PolarHBondContact O-N 3.43Å; L546-L548 VanDerWaalsContact C-N 3.33Å; L546-L548 PolarHBondContact O-N 3.03Å; L548-N550 VanDerWaalsContact C-N 3.31Å; L548-N550 PolarHBondContact O-N 3.18Å; L548-T551 PolarHBondContact O-N 3.23Å; L548-T551 VanDerWaalsContact O-N 3.13Å; L548-T551 PolarHBondContact O-OG1 3.23Å; L548-I552 WeakPolarHBondContact O-CG1 3.32Å; L548-I552 PolarHBondContact O-N 3.31Å
549H89.3Confident76.3Confident51 Ų5173.2 Ų73.224%0.23640%0.398CS..Hα-helixtrans-63.9-38.3-179.2-171.578.5000112.2L327 L330 I334 L545 L546 N547 T551 P553L327-H549 WeakPolarHBondContact CD1-CE1 3.33Å; L330-H549 HydrophobicContact CD2-CB 3.69Å; L330-H549 HydrophobicContact CG-CB 4.34Å; I334-H549 HydrophobicContact CD1-CB 3.76Å; L545-H549 PolarHBondContact O-N 2.96Å; L546-H549 WeakPolarHBondContact O-CB 3.29Å; L546-H549 PolarHBondContact O-N 2.92Å; L546-H549 VanDerWaalsContact O-N 3.11Å; N547-H549 VanDerWaalsContact C-N 3.27Å; N547-H549 PolarHBondContact O-N 3.46Å; H549-T551 VanDerWaalsContact C-N 3.27Å; H549-T551 PolarHBondContact O-N 3.48Å; H549-P553 WeakPolarHBondContact O-CD 3.34Å
550N85.1Confident73.4Confident90 Ų9079.4 Ų79.448%0.48143%0.429SS..Hα-helixtrans-71.9-20.5178-64.3-23.6000113.1L546 N547 L548L546-N550 PolarHBondContact O-N 3.02Å; L546-N550 PolarHBondContact O-ND2 3.19Å; N547-N550 PolarHBondContact O-N 2.98Å; L548-N550 VanDerWaalsContact C-N 3.31Å; L548-N550 PolarHBondContact O-N 3.18Å
551T83Confident70.7Confident77 Ų7781.5 Ų81.547%0.47244%0.441SS..Hα-helixtrans-84.5-27.7178.959.50000114.2N547 L548 H549 N554N547-T551 WeakPolarHBondContact O-CG2 3.37Å; N547-T551 PolarHBondContact O-N 2.84Å; L548-T551 PolarHBondContact O-N 3.23Å; L548-T551 VanDerWaalsContact O-N 3.13Å; L548-T551 PolarHBondContact O-OG1 3.23Å; H549-T551 VanDerWaalsContact C-N 3.27Å; H549-T551 PolarHBondContact O-N 3.48Å; T551-N554 PolarHBondContact O-N 2.9Å
552I72.7Confident68Low50 Ų5086.2 Ų86.226%0.25647%0.472SS..Hα-helixtrans-65.2-42.5-175.8-67.3170.3000113.1L327 L330 L548 N554 M555L327-I552 HydrophobicContact CD1-CG2 4.35Å; L330-I552 HydrophobicContact CD2-CD1 3.55Å; L548-I552 WeakPolarHBondContact O-CG1 3.32Å; L548-I552 PolarHBondContact O-N 3.31Å; I552-N554 PolarHBondContact O-N 3.07Å; I552-N554 VanDerWaalsContact O-N 3.13Å; I552-M555 PolarHBondContact O-N 3.29Å
553P59.8Low65.4Low70 Ų7091.7 Ų91.746%0.45551%0.508SS..Hα-helixtrans-57.4-28.2176.4-25.533.5000113.6H549H549-P553 WeakPolarHBondContact O-CD 3.34Å
554N50.1Low62.8Low115 Ų11592.9 Ų92.962%0.61552%0.523SS*.Hα-helixtrans-86.7-15.8-176.3-67.3-20.2000113.9T551 I552T551-N554 PolarHBondContact O-N 2.9Å; I552-N554 PolarHBondContact O-N 3.07Å; I552-N554 VanDerWaalsContact O-N 3.13Å
555M45Very low59.9Low150 Ų15097.1 Ų97.174%0.73955%0.547SS*.Hα-helixtrans-81.6-26.8177.9-74.3-108.5122.700112.7I552 N557I552-M555 PolarHBondContact O-N 3.29Å; M555-N557 VanDerWaalsContact C-N 3.32Å; M555-N557 PolarHBondContact O-N 2.92Å
556C41.8Very low57.2Low102 Ų102103 Ų10369%0.68958%0.584SS**THydrogen-bonded Turntrans-77.6-12.4178.5-64.10000114.1
557N36Very low54.5Low133 Ų133106.8 Ų106.871%0.71161%0.614SS**THydrogen-bonded Turntrans-97.70.8180-79.9-13.2000114.6M555M555-N557 VanDerWaalsContact C-N 3.32Å; M555-N557 PolarHBondContact O-N 2.92Å
558S38.8Very low51.6Low103 Ų103111.9 Ų111.972%0.7263%0.632SS**SBendtrans-104.615.2-177.9-680000115.1
559T35.1Very low48.9Very low106 Ų106118.6 Ų118.665%0.6567%0.667SS**  trans-130.856.3175.6-100000111.4I561T559-I561 HydrophobicContact CG2-CD1 4.34Å; T559-I561 HydrophobicContact CG2-CG1 4.15Å; T559-I561 PolarHBondContact O-N 3.28Å
560L35.6Very low46.4Very low167 Ų167119.7 Ų119.787%0.87469%0.685SS**  trans-7281.7158.4-79165.6000108.4
561I42.9Very low44.2Very low130 Ų130124.4 Ų124.467%0.66770%0.703SS**PPolyproline II helixtrans-70.5119.5158.9-57.6174.3000105.5T559T559-I561 HydrophobicContact CG2-CD1 4.34Å; T559-I561 HydrophobicContact CG2-CG1 4.15Å; T559-I561 PolarHBondContact O-N 3.28Å
562P41.6Very low42.1Very low100 Ų100125.9 Ų125.965%0.64972%0.715SS**PPolyproline II helixtrans-62.6144.7178.326.5-32.2000109.3I564P562-I564 PolarHBondContact O-N 3.4Å; P562-I564 VanDerWaalsContact O-N 3.16Å
563P43.2Very low40.4Very low121 Ų121129.9 Ų129.979%0.78674%0.741SS**PPolyproline II helixtrans-61.6123.9-178.925.5-32.3000109.5L565P563-L565 PolarHBondContact O-N 3.1Å; P563-L565 VanDerWaalsContact O-N 3.13Å
564I42.5Very low39.3Very low159 Ų159130.9 Ų130.982%0.81575%0.75SS**  trans-63112.7171.7-63.9167.9000107.4P562P562-I564 PolarHBondContact O-N 3.4Å; P562-I564 VanDerWaalsContact O-N 3.16Å
565L35.7Very low38.6Very low154 Ų154131.5 Ų131.581%0.80676%0.758SS**PPolyproline II helixtrans-64.6129.4175.6-14084.3000109.5P563 S567P563-L565 PolarHBondContact O-N 3.1Å; P563-L565 VanDerWaalsContact O-N 3.13Å; L565-S567 PolarHBondContact O-N 3.36Å
566P40.9Very low38.2Very low122 Ų122129.4 Ų129.479%0.79276%0.758SS**PPolyproline II helixtrans-71.4123.7172.8-8.423.5000109.7
567S40.1Very low37.8Very low114 Ų114131.6 Ų131.680%0.79776%0.763SS**PPolyproline II helixtrans-62.3132.3173.850.20000111.9L565L565-S567 PolarHBondContact O-N 3.36Å
568K33.4Very low37.8Very low201 Ų201130.1 Ų130.187%0.87476%0.763SS**  trans-37.1134169-70.5170.3171.9176.70114.1
569L34.8Very low37.5Very low176 Ų176131.3 Ų131.392%0.92177%0.766SS**  trans-135127.2133.6-104.9115.9000109.3
570A36Very low37.6Very low74 Ų74132 Ų13261%0.61277%0.77SS**  trans-74.5153.8-174.400000111.9
571H39.9Very low37.3Very low188 Ų188130.1 Ų130.187%0.8776%0.761SS**  -167.8134.9116.8-83.2-57.6000109.3
572P38Very low36.7Very low109 Ų109130.6 Ų130.671%0.70877%0.765SS**  trans-103.4-175.7-172.737.1-28000113.5
573V36.5Very low36.3Very low133 Ų133130.8 Ų130.881%0.80677%0.769SS**  trans99.7120.9163.7-171.60000113.2
574S38.3Very low35.6Very low92 Ų92131 Ų13164%0.64377%0.767SS**  cis-175.2143.6-243.70000110.2
575T34Very low35.2Very low127 Ų127131.1 Ų131.178%0.77977%0.769SS**  trans29.4135.7143.151.80000120.5
576S38.2Very low34.9Very low107 Ų107130.2 Ų130.275%0.74877%0.765SS**  -170.1135.156.851.80000115.1
577N32.8Very low34.6Very low147 Ų147133.5 Ų133.579%0.78677%0.772SS**  trans28.8128.8135.4-62.1-10.4000122.4
578S36.1Very low34.1Very low103 Ų103135 Ų13572%0.7277%0.77SS**  160.7119.893.347.10000111
579T33Very low34.2Very low127 Ų127135.5 Ų135.578%0.77977%0.773SS**  62.4128.8100.7-10.10000112.7
580V35.4Very low34Very low122 Ų122133 Ų13374%0.73977%0.765SS**  -173.3136.758.91750000111.1
581N30.5Very low33.9Very low127 Ų127138.9 Ų138.968%0.67978%0.777SS**  trans2.8142.3144.8-62.3-26.7000125
582N30.5Very low33.6Very low140 Ų140133.8 Ų133.875%0.74976%0.763SS**  50.1128.3125.9-56.3-22.4000121.6
583S32.5Very low33.4Very low104 Ų104136 Ų13673%0.72777%0.769SS**  158124.6103.153.40000111.8
584V29.1Very low33.2Very low124 Ų124135.3 Ų135.375%0.75277%0.768SS**  70.3116.3107.8-170.50000114.2
585L33.5Very low32.7Very low163 Ų163138.5 Ų138.585%0.85378%0.778SS**  169.5135.8115.8-86.6167.5000113.6
586D30.2Very low32.5Very low135 Ų135136.8 Ų136.872%0.72277%0.771SS**  trans-59.4157.9176.9-71.1-56000115.2
587M33Very low32Very low191 Ų191138.1 Ų138.194%0.94178%0.775SS**  -168.9134.1116.7-104.6-165.9-75.100113.5
588N30.5Very low31.9Very low144 Ų144136.8 Ų136.877%0.7777%0.773SS**  trans-61.7151.5-177.9-64-52.3000115.2
589K34.9Very low31.5Very low213 Ų213139.3 Ų139.393%0.92678%0.777SS**  trans-158.5135.9130.8-111.7175.9-173.4-1790112.9
590T32.1Very low31.2Very low124 Ų124144.3 Ų144.376%0.76178%0.782SS**  trans-85.6150.6-168.741.40000115.1
591F32.1Very low30.7Very low197 Ų197141.7 Ų141.786%0.86478%0.78SS**  trans-169.395.4143.6-117.1-87.6000106.5
592S34.9Very low30.7Very low80 Ų80142.3 Ų142.356%0.55979%0.788SS**  46.9134.695.460.60000114.6
593D33.4Very low30.8Very low157 Ų157141.8 Ų141.884%0.8479%0.792SS**  cis-157.2152.2-3.4-80.8-37.3000104.1
594C33Very low30.6Very low118 Ų118139.8 Ų139.880%0.79779%0.788SS**  -177.3115.469.7-178.20000109.5
595D26.3Very low30.8Very low159 Ų159141.4 Ų141.485%0.8579%0.792SS**  trans-80.5151.4153.8-91.4-40.9000109.6
596S30.5Very low30.8Very low91 Ų91143 Ų14364%0.63679%0.792SS**  trans162.5115.913842.50000110.9
597T27.4Very low30.5Very low134 Ų134143.5 Ų143.582%0.82279%0.793SS**  38.8114.980.651.50000115.9
598T30.6Very low30.4Very low120 Ų120142.6 Ų142.674%0.73679%0.79SS**  trans178.2117.2159.5210000105.7
599L27.9Very low30Very low155 Ų155140.6 Ų140.681%0.81278%0.784SS**  35.7154.954.1-143.871.4000113.8
600W26.3Very low29.7Very low233 Ų233137.2 Ų137.288%0.88378%0.781SS**  trans83.6135.2-177.3-46.792.4000114.2
601G26.6Very low29.5Very low67 Ų67136.6 Ų136.669%0.69178%0.777SS**  cis166.91385.400000108.6
602T28.9Very low29.3Very low140 Ų140134.3 Ų134.386%0.85977%0.774SS**  trans-55.7160.9169.434.40000113.8
603P34.3Very low29Very low129 Ų129135 Ų13584%0.83878%0.779SS**  trans-114123.2140.617.41.1000110.5
604G27.5Very low29Very low61 Ų61135 Ų13563%0.62977%0.773SS**  trans-80166173.400000113.1
605N33.7Very low28.8Very low159 Ų159136 Ų13685%0.8577%0.771SS**  trans-157.1111.4137.6-101.8-20.6000111.8
606K32.2Very low28.9Very low196 Ų196133.1 Ų133.185%0.85276%0.763SS**  trans31.1119.3145.8-67.9179.6177.2178.30121.8
607I25.1Very low28.7Very low145 Ų145134.9 Ų134.974%0.74477%0.77SS**  trans-41.2139.5156.5-61.8154.9000114.5
608I29.4Very low28.8Very low172 Ų172134.2 Ų134.288%0.88277%0.766SS**  -140.3122.4128.3-59.2-171.5000108.6
609T23.8Very low28.4Very low103 Ų103138.9 Ų138.963%0.63277%0.772SS**  trans-80.5142.6173.9-510000110.3
610V28.5Very low28.6Very low142 Ų142141.7 Ų141.786%0.86178%0.777SS**  trans-160.7146.3130.7176.30000109
611T26.4Very low28.8Very low110 Ų110142.1 Ų142.168%0.67578%0.779SS**  trans-84155.6-156.744.60000118.5
612N27.8Very low29.2Very low149 Ų149143.7 Ų143.780%0.79778%0.777SS**  trans26.1131.1142.1-71.7-7.3000120.2
613S29Very low29.4Very low96 Ų96145 Ų14567%0.67178%0.778SS**  162.8148.686.553.80000114.3
614H34.1Very low29.3Very low156 Ų156145.8 Ų145.872%0.72278%0.776SS**  trans75.2111.2147.4-63.5-41.2000123.8
615N29Very low29.7Very low139 Ų139150.8 Ų150.874%0.74378%0.783SS**  71.8126.6118.5-70.52.4000122.8
616S27.5Very low29.8Very low99 Ų99150.2 Ų150.269%0.69278%0.775SS**  87.3104.2129.2-73.60000120.8
617T26.6Very low29.8Very low127 Ų127147.5 Ų147.578%0.77977%0.769SS**  66.4143.3127.745.90000122
618T28.7Very low30.1Very low120 Ų120152 Ų15274%0.73678%0.777SS**  trans99.1105.21476.30000119.2
619Y23.8Very low30.2Very low218 Ų218149.2 Ų149.286%0.85577%0.77SS**  trans31.3115.6137.9-75.9-95.3000119.6
620K31.6Very low30.5Very low214 Ų214152.4 Ų152.493%0.9378%0.783SS**  -179.9148.1110.9-95.7171.1-177.2-177.80111.2
621R29.8Very low30.5Very low242 Ų242152.2 Ų152.291%0.91378%0.781SS**  trans-86.2176.2-175.4-129.8-162.5-173.91712.8110.7
622P36.2Very low30.7Very low101 Ų101156 Ų15666%0.65679%0.788SS**  -119.7173.7-113.638-19.7000113.2
623D33.2Very low30.8Very low166 Ų166158.9 Ų158.989%0.88879%0.794SS**  trans-148.1144.1155.1-93.3-38000112.3
624N31.7Very low30.8Very low146 Ų146162.7 Ų162.778%0.78180%0.801SS**  trans-70.5148.5-174.3-67.5-51.9000112.6
625H36.5Very low30.6Very low167 Ų167160.2 Ų160.277%0.77380%0.801SS**  -169.1120129.4-100.1-73.7000111.1
626E33.8Very low30.7Very low147 Ų147160.8 Ų160.869%0.68780%0.803SS**  trans66.2117.7132.5-75.1179.8-15000124.4
627N33.9Very low30.8Very low138 Ų138163 Ų16374%0.73881%0.807SS**  99117.3120.4-78.1-32.5000122.5
628R31.4Very low31Very low239 Ų239161.2 Ų161.290%0.90280%0.8SS**  trans99.2139.1143.9-87.4-168.4173.9-160.3-1.1121.7
629P30.4Very low31.1Very low114 Ų114166.4 Ų166.474%0.7481%0.806SS**  trans-104.4149.5-156.339.2-29.5000112.9
630L30.1Very low31.5Very low171 Ų171166.3 Ų166.390%0.89580%0.804SS**  trans-143.7109.1165.6-98.2156.8000110.8K632L630-K632 PolarHBondContact O-N 3.33Å
631V29.2Very low31.5Very low138 Ų138165.1 Ų165.184%0.83680%0.798SS**  trans-53.3124.2165175.10000109.5
632K31Very low31.3Very low188 Ų188163.6 Ų163.682%0.81779%0.794SS**  trans-156.6117151.8-107.7168.5-166-177.10110.7L630 Q634L630-K632 PolarHBondContact O-N 3.33Å; K632-Q634 PolarHBondContact O-N 3.42Å; K632-Q634 VanDerWaalsContact O-N 3.16Å
633K28.2Very low31Very low211 Ų211166 Ų16692%0.91780%0.8SS**  trans-42.5114.5163.1-80.2169.4170.2173.50109.4
634Q30.9Very low30.8Very low175 Ų175167.1 Ų167.182%0.81880%0.8SS**  trans-110.9104.7163.9-80.6-175-3.600109K632 I636K632-Q634 PolarHBondContact O-N 3.42Å; K632-Q634 VanDerWaalsContact O-N 3.16Å; Q634-I636 PolarHBondContact O-N 3.29Å
635S28.3Very low31.2Very low104 Ų104165.8 Ų165.873%0.72778%0.784SS**  trans-49.3111.9155.4173.90000108.7D637S635-D637 PolarHBondContact O-N 3.05Å
636I32.4Very low31.3Very low152 Ų152163 Ų16378%0.77978%0.78SS**  trans-81.476.4165.1-59.8174.6000106.1Q634Q634-I636 PolarHBondContact O-N 3.29Å
637D28.4Very low31.6Very low144 Ų144163 Ų16377%0.7778%0.778SS**  trans-91.895.6155.2-157.1-5.8000105.3S635S635-D637 PolarHBondContact O-N 3.05Å
638S32Very low32.1Very low90 Ų90157 Ų15763%0.62975%0.747SS**  trans-140.881.5-174.8-68.60000110
639R30.9Very low32.6Very low230 Ų230149.9 Ų149.987%0.86873%0.726SS**  trans47.692.4141.8-60.8-178.2-170.3-163.92.2115K641R639-K641 PolarHBondContact O-N 2.76Å
640R31.7Very low33Very low216 Ų216144.7 Ų144.782%0.81569%0.692SS**  trans-54.996.9142.3-86.6-178.4175.8172.9-1.9107.2Y642R640-Y642 VanDerWaalsContact C-N 3.32Å; R640-Y642 PolarHBondContact O-N 3.49Å
641K30.6Very low33.8Very low188 Ų188139.8 Ų139.882%0.81767%0.667SS**  trans-59105.2156.1-85.2-177.7175.4179.90105.3R639 I643R639-K641 PolarHBondContact O-N 2.76Å; K641-I643 VanDerWaalsContact C-N 3.26Å; K641-I643 PolarHBondContact O-N 3.37Å
642Y27.1Very low34.7Very low211 Ų211138.3 Ų138.383%0.82765%0.654SS**  trans-56.199.8157.8-82.5-92.8000106.1R640 Q644R640-Y642 VanDerWaalsContact C-N 3.32Å; R640-Y642 PolarHBondContact O-N 3.49Å; Y642-Q644 VanDerWaalsContact C-N 3.3Å; Y642-Q644 PolarHBondContact O-N 3.44Å; Y642-Q644 VanDerWaalsContact O-N 3.1Å
643I29.3Very low35.7Very low152 Ų152132.4 Ų132.478%0.77963%0.631SS**  trans-68.4103.2157.5-63.1177.4000103.5K641 R645K641-I643 VanDerWaalsContact C-N 3.26Å; K641-I643 PolarHBondContact O-N 3.37Å; I643-R645 PolarHBondContact O-N 3.14Å
644Q29.7Very low36.5Very low188 Ų188124.8 Ų124.888%0.87960%0.604SS**  trans-56.5110.8167-96.5-179.7-13.800106.9Y642Y642-Q644 VanDerWaalsContact C-N 3.3Å; Y642-Q644 PolarHBondContact O-N 3.44Å; Y642-Q644 VanDerWaalsContact O-N 3.1Å
645R39.5Very low36.9Very low119 Ų119124 Ų12445%0.44960%0.6SS.*PPolyproline II helixtrans-80.6144.1177.9-173.3178.8172.1-117.1-9.5108.8I643 K647 T648I643-R645 PolarHBondContact O-N 3.14Å; R645-K647 PolarHBondContact O-N 2.8Å; R645-T648 VanDerWaalsContact CZ-CG2 3.43Å
646P37.9Very low37.3Very low107 Ų107124 Ų12470%0.69560%0.598SS**PPolyproline II helixtrans-54.1132.1166.920.1-30.9000109.9T648P646-T648 PolarHBondContact O-N 3.27Å
647K39.9Very low37.5Very low149 Ų149124.1 Ų124.165%0.64860%0.6SS**PPolyproline II helixtrans-54.5127175.9-69.6-175.3178.5-174.60108.8R645 D651 L652R645-K647 PolarHBondContact O-N 2.8Å; K647-D651 WeakPolarHBondContact CA-OD2 3.43Å; K647-D651 HydrophobicContact CB-CB 4.03Å; K647-D651 HydrophobicContact CG-CB 4.41Å; K647-L652 HydrophobicContact CB-CD2 4.48Å; K647-L652 HydrophobicContact CB-CG 4.35Å; K647-L652 HydrophobicContact CD-CD2 3.84Å
648T45.1Very low37.8Very low12 Ų12124.2 Ų124.27%0.07460%0.6CS.*PPolyproline II helixtrans-75166.5168.458.20000110.4R645 P646 A650 D651 L652R645-T648 VanDerWaalsContact CZ-CG2 3.43Å; P646-T648 PolarHBondContact O-N 3.27Å; T648-A650 PolarHBondContact O-N 3.13Å; T648-A650 PolarHBondContact OG1-N 3.23Å; T648-D651 PolarHBondContact N-OD2 3.26Å; T648-D651 WeakPolarHBondContact O-CB 3.3Å; T648-D651 PolarHBondContact O-N 3.2Å; T648-D651 PolarHBondContact OG1-N 2.76Å; T648-D651 VanDerWaalsContact OG1-N 3.08Å; T648-D651 PolarHBondContact OG1-OD2 2.88Å; T648-L652 PolarHBondContact O-N 3.26Å
649L41.9Very low37.9Very low89 Ų89128 Ų12847%0.46661%0.608SS.*Hα-helixtrans-56.8-35.7169-164.475.2000110.5V539 L652 I653V539-L649 HydrophobicContact CG1-CD2 4.15Å; L649-L652 PolarHBondContact O-N 2.94Å; L649-I653 HydrophobicContact CD2-CD1 4.41Å; L649-I653 HydrophobicContact CG-CD1 4.01Å; L649-I653 WeakPolarHBondContact O-CD1 3.37Å; L649-I653 VanDerWaalsContact O-CG1 3.24Å; L649-I653 WeakPolarHBondContact O-CG1 3.48Å; L649-I653 PolarHBondContact O-N 3.4Å; L649-I653 VanDerWaalsContact O-N 3.08Å
650A39.4Very low37.8Very low4 Ų4126.2 Ų126.23%0.03361%0.609CS.*Hα-helixtrans-61.5-41.8171.700000112.8T648 L652 I653 S654T648-A650 PolarHBondContact O-N 3.13Å; T648-A650 PolarHBondContact OG1-N 3.23Å; A650-L652 VanDerWaalsContact C-N 3.27Å; A650-L652 PolarHBondContact O-N 2.67Å; A650-I653 CarbonylContact O-C 3.46Å; A650-I653 PolarHBondContact O-N 3.33Å; A650-I653 VanDerWaalsContact O-N 3.15Å; A650-S654 WeakPolarHBondContact O-CB 3.37Å; A650-S654 PolarHBondContact O-N 2.87Å; A650-S654 VanDerWaalsContact O-N 3.07Å; A650-S654 PolarHBondContact O-OG 3.25Å
651D45.8Very low38Very low69 Ų69122.4 Ų122.437%0.36960%0.604SS.*Hα-helixtrans-64.7-31.1176.1-65-37.3000112.2K647 T648K647-D651 WeakPolarHBondContact CA-OD2 3.43Å; K647-D651 HydrophobicContact CB-CB 4.03Å; K647-D651 HydrophobicContact CG-CB 4.41Å; T648-D651 PolarHBondContact N-OD2 3.26Å; T648-D651 WeakPolarHBondContact O-CB 3.3Å; T648-D651 PolarHBondContact O-N 3.2Å; T648-D651 PolarHBondContact OG1-N 2.76Å; T648-D651 VanDerWaalsContact OG1-N 3.08Å; T648-D651 PolarHBondContact OG1-OD2 2.88Å
652L49.2Very low38.1Very low106 Ų106118.8 Ų118.856%0.55560%0.602SS**Hα-helixtrans-76.1-24.2175.4-67.8167.7000113K647 T648 L649 A650K647-L652 HydrophobicContact CB-CD2 4.48Å; K647-L652 HydrophobicContact CB-CG 4.35Å; K647-L652 HydrophobicContact CD-CD2 3.84Å; T648-L652 PolarHBondContact O-N 3.26Å; L649-L652 PolarHBondContact O-N 2.94Å; A650-L652 VanDerWaalsContact C-N 3.27Å; A650-L652 PolarHBondContact O-N 2.67Å
653I52.3Low38.1Very low64 Ų64114.9 Ų114.933%0.32860%0.6SS.*SBendtrans-92.7-2.7176.8-61.3163.8000111.4R338 L546 L649 A650R338-I653 PolarHBondContact NH2-O 3.34Å; L546-I653 HydrophobicContact CD1-CG2 3.73Å; L649-I653 HydrophobicContact CD2-CD1 4.41Å; L649-I653 HydrophobicContact CG-CD1 4.01Å; L649-I653 WeakPolarHBondContact O-CD1 3.37Å; L649-I653 VanDerWaalsContact O-CG1 3.24Å; L649-I653 WeakPolarHBondContact O-CG1 3.48Å; L649-I653 PolarHBondContact O-N 3.4Å; L649-I653 VanDerWaalsContact O-N 3.08Å; A650-I653 CarbonylContact O-C 3.46Å; A650-I653 PolarHBondContact O-N 3.33Å; A650-I653 VanDerWaalsContact O-N 3.15Å
654S43.8Very low38.4Very low52 Ų52113.6 Ų113.636%0.36460%0.602SS.*  trans-94.28.6-175.2-64.80000114.8A650A650-S654 WeakPolarHBondContact O-CB 3.37Å; A650-S654 PolarHBondContact O-N 2.87Å; A650-S654 VanDerWaalsContact O-N 3.07Å; A650-S654 PolarHBondContact O-OG 3.25Å
655E39.6Very low38.5Very low158 Ų158112.8 Ų112.874%0.73860%0.598SS**  trans-65.1128.3171.6-71.2-150.2167.100110.2L657E655-L657 PolarHBondContact O-N 2.82Å
656P37.1Very low38.3Very low105 Ų105114.2 Ų114.268%0.68261%0.614SS**  trans-65.3128.3174.626.5-30.1000108.6N658P656-N658 PolarHBondContact O-N 3.26Å
657L36.9Very low38.2Very low154 Ų154118.4 Ų118.481%0.80662%0.622SS**  trans-61.887.1160.3-84.3153.8000107.6E655 E659E655-L657 PolarHBondContact O-N 2.82Å; L657-E659 PolarHBondContact O-N 3.06Å
658N34.7Very low37.8Very low146 Ų146118.3 Ų118.378%0.78163%0.627SS**  trans-78.197.8166.1-116.818.9000106.7P656 Q660P656-N658 PolarHBondContact O-N 3.26Å; N658-Q660 PolarHBondContact O-N 3.46Å; N658-Q660 VanDerWaalsContact O-N 3.14Å
659E34.6Very low37.4Very low168 Ų168123.4 Ų123.479%0.78566%0.661SS**  trans-61.6112.3163.5-80.3-176.9162.300108.6L657 I661L657-E659 PolarHBondContact O-N 3.06Å; E659-I661 PolarHBondContact O-N 3.5Å; E659-I661 VanDerWaalsContact O-N 3.08Å
660Q28.7Very low36.9Very low193 Ų193126 Ų12690%0.90268%0.675SS**  trans-67.398.9165.2-71.4-173-6.200108.5N658N658-Q660 PolarHBondContact O-N 3.46Å; N658-Q660 VanDerWaalsContact O-N 3.14Å
661I34.5Very low36.7Very low136 Ų136137.7 Ų137.770%0.69772%0.718SS**  trans-116.2106157.8-59178.7000107.4E659E659-I661 PolarHBondContact O-N 3.5Å; E659-I661 VanDerWaalsContact O-N 3.08Å
662S33.1Very low36.1Very low113 Ų113139.8 Ų139.879%0.7973%0.734SS**  trans-50126.4170.932.80000112.6
663T27.8Very low35.3Very low128 Ų128141.9 Ų141.979%0.78575%0.745SS**  trans-89.4158.7166.451.20000110.5
664P35.3Very low34.3Very low126 Ų126143.4 Ų143.482%0.81876%0.762SS**  -126.2140.5128.632.6-22.3000112.4
665H32.3Very low33.7Very low171 Ų171146.5 Ų146.579%0.79278%0.779SS**  trans-35.8138.1172.2-78.5-85000116
666N35Very low33.2Very low148 Ų148147.3 Ų147.379%0.79179%0.785SS**  -169.6119.4113.6-96.3-29.2000114.4
667K34.8Very low33Very low196 Ų196147.2 Ų147.285%0.85279%0.786SS**  trans28.8117.8142.3-65179.4177.4179.70121.2
668L31.3Very low32.8Very low146 Ų146150.3 Ų150.376%0.76479%0.787SS**  trans-48.8166.4149.7-99.5117.6000113
669P37.8Very low32.4Very low119 Ų119148.3 Ų148.377%0.77379%0.785SS**  -153.8170.450.338.4-14.2000121
670N30.1Very low32.2Very low144 Ų144149.2 Ų149.277%0.7779%0.787SS**  trans-9.7134.9162.3-70.1-20.6000119.8
671R35.2Very low32.1Very low249 Ų249146.8 Ų146.894%0.9479%0.785SS**  trans-149.7150.5135.8-121.6177.7179-176.40.2112.7
672T33.4Very low31.7Very low113 Ų113144.1 Ų144.169%0.69378%0.778SS**  trans-81.6172.7-162.846.60000115.2
673N32.8Very low31.3Very low150 Ų150145 Ų14580%0.80278%0.779SS**  trans86.5135.1163.2-58.4-17.6000114.3
674S31.4Very low31.3Very low96 Ų96144.9 Ų144.967%0.67177%0.772SS**  cis-174.3164.94.940.30000108.5
675T31.8Very low30.8Very low117 Ų117144.8 Ų144.872%0.71877%0.77SS**  trans81120.2144.5330000121.9
676M29.5Very low30.6Very low176 Ų176142.6 Ų142.687%0.86777%0.768SS**  trans74.6125.3145.4-66.1-158167.100116.9
677S31.7Very low30.1Very low102 Ų102145 Ų14571%0.71377%0.772SS**  cis-176.9148.337.427.70000112.6
678R32.3Very low29.9Very low220 Ų220141.6 Ų141.683%0.8377%0.77SS**  trans64.8101.9143.4-67177.3179.4-177.1-0.2120.9
679S26.5Very low29.8Very low104 Ų104139.8 Ų139.873%0.72777%0.769SS**  4.2120.4123.254.30000117.7
680F30.6Very low29.2Very low187 Ų187143.9 Ų143.982%0.8278%0.775SS**  trans-139.197.5145.1-98-82000109.5S682F680-S682 PolarHBondContact O-N 3.44Å
681T26.6Very low29.3Very low141 Ų141145.1 Ų145.187%0.86578%0.776SS**  trans-58.6116.5139.920.50000107.4
682S26.8Very low28.7Very low80 Ų80138 Ų13856%0.55976%0.764SS**  trans-135100.9158.978.40000110.7F680 I684F680-S682 PolarHBondContact O-N 3.44Å; S682-I684 PolarHBondContact O-N 3.23Å
683T24.7Very low28.5Very low131 Ų131140.4 Ų140.480%0.80477%0.772SS**  trans-46.5112.5147.2-49.30000108.7
684I27.2Very low28.1Very low126 Ų126138.6 Ų138.665%0.64677%0.766SS**  trans-127.388.5163.8-59.7-177.6000108.3S682 T686S682-I684 PolarHBondContact O-N 3.23Å; I684-T686 HydrophobicContact CG2-CG2 3.75Å; I684-T686 PolarHBondContact O-N 3.13Å
685T26Very low28.1Very low125 Ų125141.4 Ų141.477%0.76777%0.772SS**  trans-57.6114.4147.935.10000109
686T27.6Very low28.1Very low124 Ų124142.3 Ų142.376%0.76177%0.772SS**  trans-135.9130158.944.10000110.8I684I684-T686 HydrophobicContact CG2-CG2 3.75Å; I684-T686 PolarHBondContact O-N 3.13Å
687K24.6Very low28Very low200 Ų200141.1 Ų141.187%0.8777%0.77SS**PPolyproline II helixtrans-57.5147.9-165.4-66159.2172.81700113.9
688P29.8Very low28Very low124 Ų124144.7 Ų144.781%0.80578%0.775SS**PPolyproline II helixtrans-73.3132.8149.931.8-26.2000108.5K690P688-K690 PolarHBondContact O-N 3.18Å
689S28.8Very low27.7Very low108 Ų108139.5 Ų139.576%0.75577%0.772SS**PPolyproline II helixtrans-47.5126.8171.448.70000111.7H691S689-H691 PolarHBondContact O-N 3.48Å
690K25.4Very low27.9Very low205 Ų205141.5 Ų141.589%0.89177%0.773SS**PPolyproline II helixtrans-55.8118.8163.6-70.3178.5174.5-176.60108.7P688P688-K690 PolarHBondContact O-N 3.18Å
691H32.3Very low27.7Very low170 Ų170141.5 Ų141.579%0.78778%0.776SS**  trans-124.1116.5146.8-100.9-69.4000108.5S689S689-H691 PolarHBondContact O-N 3.48Å
692S24.3Very low27.9Very low98 Ų98142.6 Ų142.669%0.68578%0.775SS**  trans-59.9128180-159.40000110.6
693L28.4Very low28.2Very low164 Ų164144 Ų14486%0.85979%0.786SS**  trans-129.995150.9-95.5160.9000106.8I695L693-I695 PolarHBondContact O-N 3.08Å
694T25.1Very low28.4Very low112 Ų112145.2 Ų145.269%0.68779%0.787SS**  trans-53.7115.9163.7-38.30000107.7
695I31.4Very low28.6Very low156 Ų156148.2 Ų148.280%0.880%0.798SS**  trans-104.6120.7163.3-63.9179.5000106.2L693 N697L693-I695 PolarHBondContact O-N 3.08Å; I695-N697 PolarHBondContact O-N 2.96Å
696N31.2Very low29Very low135 Ų135148.2 Ų148.272%0.72280%0.803SS**  trans-51.5129.8-177.8-74.9-26000111.9H698N696-H698 PolarHBondContact O-N 3.16Å
697N26.6Very low29.1Very low152 Ų152152.6 Ų152.681%0.81381%0.812SS**  trans-59.2109.8157.8-78.1-23.3000108.7I695I695-N697 PolarHBondContact O-N 2.96Å
698H32.8Very low29.6Very low177 Ų177147.8 Ų147.882%0.81980%0.804SS**  trans-119.398.9147-94.5-56.9000108.3N696 I700N696-H698 PolarHBondContact O-N 3.16Å; H698-I700 PolarHBondContact O-N 3.13Å
699S25.6Very low29.7Very low110 Ų110148.2 Ų148.277%0.76980%0.799SS**  trans-55.2119.2160.7-50.60000108.8
700I30.3Very low30Very low147 Ų147154.2 Ų154.275%0.75481%0.807SS**  trans-115105.2156.4-63.1-179.7000105.5H698 L702H698-I700 PolarHBondContact O-N 3.13Å; I700-L702 HydrophobicContact CG2-CG 4.49Å; I700-L702 PolarHBondContact O-N 3.32Å
701Q26.5Very low30.3Very low187 Ų187151.3 Ų151.387%0.87480%0.801SS**  trans-57.5121.7161.9-72.9172-59.700107.5
702L30.8Very low30.5Very low163 Ų163151.4 Ų151.485%0.85381%0.806SS**  trans-107.7113.2156.4-76.2171.1000106.6I700I700-L702 HydrophobicContact CG2-CG 4.49Å; I700-L702 PolarHBondContact O-N 3.32Å
703S32.8Very low31Very low111 Ų111152.2 Ų152.278%0.77681%0.809SS**  trans-55.5136.3178.642.60000112.2
704D28.1Very low31Very low156 Ų156152.6 Ų152.683%0.83481%0.811SS**  trans-48.3131.3156.5-75.4-55000110.8
705E32.2Very low31.4Very low189 Ų189155.5 Ų155.588%0.88382%0.817SS**  trans175.1103.9138-99.2174.4-169.100110.3
706S34.8Very low31.4Very low125 Ų125154.8 Ų154.887%0.87482%0.815SS**  trans158.582134.370.40000110.2
707K29.6Very low31.5Very low215 Ų215156.4 Ų156.494%0.93582%0.823SS**  trans-90124.9160.2-81.5179.1176.8172.90108.5
708S35.6Very low31.5Very low100 Ų100159 Ų15970%0.69983%0.827SS**  trans-158.997.4150.956.80000106.2
709D31.6Very low31.6Very low132 Ų132162 Ų16271%0.70685%0.847SS**  86.8107.3108-82.5-28.4000111.9
710Y34.6Very low31.9Very low235 Ų235164.6 Ų164.692%0.92285%0.851SS**  -168.6101.6122.7-90-65.7000108.5
711N31.7Very low31.9Very low143 Ų143165.5 Ų165.577%0.76586%0.856SS**  trans-61.2142.1165.1-77.2-57000110.8
712L36.6Very low32.2Very low173 Ų173164.3 Ų164.391%0.90686%0.855SS**  trans-165.3144131.3-96.6143.2000110.3
713P33.7Very low32.3Very low114 Ų114164.4 Ų164.474%0.7486%0.855SS**  trans-92.4158.2-148.534.9-34.6000115.6
714L29.4Very low32.3Very low172 Ų172167.7 Ų167.790%0.90186%0.86SS**  trans-58.8126.8165.3-76.591.8000110.8
715E34.4Very low32.6Very low174 Ų174168.5 Ų168.581%0.81386%0.862SS**  trans-159.3139.6142.9-113.9171.6-162.500109.8
716N30.3Very low32.6Very low141 Ų141167 Ų16775%0.75486%0.86SS**  trans79.596.2172.3-52.5-39.5000117.5
717L33.3Very low32.4Very low169 Ų169170.2 Ų170.289%0.88586%0.859SS**  -168.990.3121.7-96.7147000110.3
718K27.2Very low32.7Very low207 Ų207166.5 Ų166.590%0.985%0.853SS**  trans-86.2114.5144.3-89-180174176.10106.5
719L33.7Very low32.4Very low238 Ų238172.5 Ų172.5100%1.24687%0.867SS**  trans-175.90143.2-102.8162.1000109.2

Retrieved 719 of 719 residues in 1201.5 ms (Link to these results)

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