G4V8W3_SCHMA Loading...

Putative mannose-1-phosphate guanyltransferase

AlphaFold DB , UniProt , Accession G4V8W3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 461 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
1M40.8Very low39.5Very low239 Ų239150.4 Ų150.4100%1.17781%0.813SS**  087.30-67.3-168.4-60.700105.3N3M1-N3 PolarHBondContact O-N 3.33Å
2E39.1Very low42.9Very low189 Ų189143.4 Ų143.488%0.88378%0.779SS**  trans-77.5117.4177.6-143.7156.8-17000105.4D4E2-D4 PolarHBondContact O-N 3.08Å
3N37.5Very low46.6Very low144 Ų144138.8 Ų138.877%0.7775%0.748SS**  trans-69.399.5176.8-103.40.7000106.9M1 E5M1-N3 PolarHBondContact O-N 3.33Å; N3-E5 PolarHBondContact O-N 3.31Å
4D37.3Very low50.1Low150 Ų150135.3 Ų135.380%0.80272%0.722SS**  trans-64.382.8158.9-75.2-28.1000107.3E2 V6E2-D4 PolarHBondContact O-N 3.08Å; D4-V6 PolarHBondContact O-N 3.39Å
5E35Very low53.4Low164 Ų164126.5 Ų126.577%0.76668%0.675SS**  trans-63.791.9160.1-79.9-173.8170.800106.5N3 V7N3-E5 PolarHBondContact O-N 3.31Å; E5-V7 VanDerWaalsContact C-N 3.26Å; E5-V7 PolarHBondContact O-N 2.93Å
6V33.5Very low56.2Low120 Ų120119.2 Ų119.273%0.72764%0.635SS**  trans-53.299.8163.1178.10000105.7D4 L8D4-V6 PolarHBondContact O-N 3.39Å; V6-L8 VanDerWaalsContact C-N 3.29Å; V6-L8 PolarHBondContact O-N 3.38Å
7V35Very low58.7Low124 Ų124112.2 Ų112.275%0.75260%0.598SS**  trans-52.2103168.8176.90000105E5 T9E5-V7 VanDerWaalsContact C-N 3.26Å; E5-V7 PolarHBondContact O-N 2.93Å; V7-T9 PolarHBondContact O-N 3.39Å
8L33.7Very low60.9Low160 Ų160106 Ų10684%0.83857%0.565SS**  trans-57.896.7175.8-74.8163.9000105.5V6 D10V6-L8 VanDerWaalsContact C-N 3.29Å; V6-L8 PolarHBondContact O-N 3.38Å; L8-D10 PolarHBondContact O-N 3.14Å
9T39.7Very low62.9Low127 Ų127100.4 Ų100.478%0.77954%0.535SS*.  trans-50.3117.7178.548.90000107V7 S11V7-T9 PolarHBondContact O-N 3.39Å; T9-S11 PolarHBondContact O-N 3.03Å
10D46.5Very low64.6Low128 Ų12896.2 Ų96.268%0.68451%0.512SS*.  trans-16.6112.8174.6-175.116.6000111.4L8 T12L8-D10 PolarHBondContact O-N 3.14Å; D10-T12 PolarHBondContact O-N 3.34Å
11S56Low66.1Low109 Ų10992.1 Ų92.176%0.76249%0.491SS*.  trans-65.582.3178.659.20000107.8T9 K13T9-S11 PolarHBondContact O-N 3.03Å; S11-K13 PolarHBondContact O-N 3.41Å
12T80.8Confident68.4Low67 Ų6781.7 Ų81.741%0.41144%0.444SS..PPolyproline II helixtrans-52119.6-177.838.80000108D10 K14D10-T12 PolarHBondContact O-N 3.34Å; T12-K14 PolarHBondContact O-N 2.95Å
13K90.4Very high70.7Confident84 Ų8472.7 Ų72.737%0.36540%0.402SS..PPolyproline II helixtrans-47.7129.8178.6-75.8-172.1178.1-178.50109S11 I15 D121 L122S11-K13 PolarHBondContact O-N 3.41Å; K13-I15 PolarHBondContact O-N 3.15Å; K13-D121 WeakPolarHBondContact CA-OD2 3.48Å; K13-D121 HydrophobicContact CB-CB 3.97Å; K13-D121 HydrophobicContact CD-CB 4.38Å; K13-D121 HydrophobicContact CG-CB 4.12Å; K13-L122 HydrophobicContact CD-CD1 3.62Å; K13-L122 HydrophobicContact CD-CG 4.12Å
14K96.9Very high72.6Confident89 Ų8969.4 Ų69.439%0.38739%0.389SS..PPolyproline II helixtrans-71.5116174.6-65.5175.2-178.4173.60108.2T12 R64 P120 D121 L122T12-K14 PolarHBondContact O-N 2.95Å; K14-R64 HydrophobicContact CB-CG 4.21Å; K14-P120 CarbonylContact O-C 3.53Å; K14-P120 WeakPolarHBondContact O-CA 3.43Å; K14-D121 PolarHBondContact N-OD2 2.91Å; K14-D121 PolarHBondContact O-N 3.39Å; K14-L122 PolarHBondContact O-N 3.5Å
15I98.4Very high74.3Confident4 Ų467.2 Ų67.22%0.02138%0.384CS..EExtended strand (participates in β ladder)trans-110.4140.7-178.3-65.4160000109.4K13 L60 P61 G62 L63 R64 L122 F124 L140K13-I15 PolarHBondContact O-N 3.15Å; I15-L60 HydrophobicContact CG2-CD1 4.45Å; I15-P61 WeakPolarHBondContact CD1-O 3.44Å; I15-G62 PolarHBondContact N-O 2.95Å; I15-L63 HydrophobicContact CG2-CD1 4.17Å; I15-L63 WeakPolarHBondContact O-CA 3.34Å; I15-R64 PolarHBondContact O-N 2.8Å; I15-L122 WeakPolarHBondContact CA-O 3.43Å; I15-L122 HydrophobicContact CG1-CB 4.09Å; I15-F124 HydrophobicContact CG2-CD2 3.79Å; I15-F124 HydrophobicContact CG2-CE2 4.28Å; I15-L140 HydrophobicContact CD1-CD1 3.72Å; I15-L140 HydrophobicContact CD1-CD2 3.74Å; I15-L140 HydrophobicContact CD1-CG 4.4Å; I15-L140 HydrophobicContact CG1-CD2 4.5Å
16K98.7Very high76Confident9 Ų964.6 Ų64.64%0.03937%0.37CS..EExtended strand (participates in β ladder)trans-120.5153.1158.5-61.1-170.3-175.9-167.80110.5E65 I67 Q114 L115 S117 P120 L122 L123 F124K16-E65 WeakPolarHBondContact CA-O 3.16Å; K16-E65 HydrophobicContact CD-CB 4.12Å; K16-E65 WeakPolarHBondContact CE-OE2 3.44Å; K16-E65 HydrophobicContact CG-CB 4.13Å; K16-E65 IonicContact NZ-OE2 3.87Å; K16-E65 PolarHBondContact NZ-OE2 3.18Å; K16-I67 HydrophobicContact CD-CD1 4.33Å; K16-Q114 PolarHBondContact NZ-O 2.98Å; K16-L115 WeakPolarHBondContact CD-O 3.34Å; K16-L115 PolarHBondContact NZ-O 3.3Å; K16-S117 WeakPolarHBondContact CE-O 3.31Å; K16-S117 PolarHBondContact NZ-O 2.65Å; K16-S117 PolarHBondContact NZ-OG 3.45Å; K16-P120 HydrophobicContact CD-CG 4.36Å; K16-P120 HydrophobicContact CG-CB 4.09Å; K16-P120 HydrophobicContact CG-CG 4.4Å; K16-L122 PolarHBondContact N-O 3.27Å; K16-L123 HydrophobicContact CB-CD2 3.81Å; K16-L123 CarbonylContact O-C 3.56Å; K16-L123 WeakPolarHBondContact O-CA 3.18Å; K16-F124 PolarHBondContact O-N 3.3Å
17A98.8Very high77.8Confident0 Ų059.6 Ų59.60%034%0.343CS..EExtended strand (participates in β ladder)trans-115.5138.3173.600000110.5F57 L63 E65 I66 I67 F124A17-F57 HydrophobicContact CB-CB 4.26Å; A17-F57 HydrophobicContact CB-CD1 3.59Å; A17-F57 HydrophobicContact CB-CD2 3.71Å; A17-F57 HydrophobicContact CB-CE1 3.78Å; A17-F57 HydrophobicContact CB-CE2 3.85Å; A17-F57 HydrophobicContact CB-CG 3.59Å; A17-F57 HydrophobicContact CB-CZ 3.91Å; A17-L63 HydrophobicContact CB-CD1 4.22Å; A17-E65 PolarHBondContact N-O 3.27Å; A17-I66 HydrophobicContact CB-CG1 4.27Å; A17-I66 HydrophobicContact CB-CG2 4.47Å; A17-I66 CarbonylContact O-C 3.57Å; A17-I66 WeakPolarHBondContact O-CA 3.28Å; A17-I67 PolarHBondContact O-N 3.43Å; A17-F124 CarbonylContact C-O 3.59Å; A17-F124 WeakPolarHBondContact CA-O 3.45Å; A17-F124 HydrophobicContact CB-CB 4.18Å
18I98.7Very high79.9Confident1 Ų157.6 Ų57.61%0.00533%0.331CS..EExtended strand (participates in β ladder)trans-121118.4178.8-58.2156.6000107.6L20 I67 L69 L115 L123 F124 V125 M126I18-L20 HydrophobicContact CG2-CD2 3.97Å; I18-I67 CarbonylContact C-O 3.49Å; I18-I67 VanDerWaalsContact CA-O 3.31Å; I18-I67 WeakPolarHBondContact CA-O 3.48Å; I18-L69 HydrophobicContact CG2-CB 4.23Å; I18-L69 HydrophobicContact CG2-CD1 4.41Å; I18-L115 HydrophobicContact CD1-CD1 3.8Å; I18-L115 HydrophobicContact CD1-CD2 3.98Å; I18-L115 HydrophobicContact CD1-CG 4.32Å; I18-L115 HydrophobicContact CG1-CD2 3.96Å; I18-L123 HydrophobicContact CD1-CD2 4.49Å; I18-F124 PolarHBondContact N-O 3.07Å; I18-V125 HydrophobicContact CB-CG2 4.3Å; I18-V125 HydrophobicContact CD1-CG2 3.99Å; I18-V125 CarbonylContact O-C 3.56Å; I18-V125 WeakPolarHBondContact O-CA 3.22Å; I18-M126 PolarHBondContact O-N 2.77Å
19I98.5Very high82.4Confident0 Ų057.4 Ų57.40%032%0.319CS..EExtended strand (participates in β ladder)trans-108.7111.7179.5-53.3171.8000108.3I21 V50 H53 I54 F57 I66 I67 L68 L69 M126I19-I21 HydrophobicContact CG2-CG2 3.89Å; I19-I21 PolarHBondContact O-N 3.01Å; I19-V50 HydrophobicContact CD1-CG2 4.37Å; I19-V50 HydrophobicContact CG2-CG2 4.38Å; I19-H53 HydrophobicContact CD1-CB 3.65Å; I19-I54 HydrophobicContact CD1-CG1 4.22Å; I19-F57 HydrophobicContact CD1-CD2 4.12Å; I19-F57 HydrophobicContact CD1-CE2 4.18Å; I19-F57 HydrophobicContact CG1-CD2 4.38Å; I19-F57 HydrophobicContact CG1-CE2 3.99Å; I19-I66 HydrophobicContact CD1-CG2 3.75Å; I19-I66 HydrophobicContact CG1-CG2 4.26Å; I19-I67 PolarHBondContact N-O 3.3Å; I19-L68 HydrophobicContact CB-CD2 3.8Å; I19-L68 HydrophobicContact CD1-CD2 3.73Å; I19-L68 HydrophobicContact CG1-CD2 4.19Å; I19-L68 HydrophobicContact CG2-CD2 4.41Å; I19-L69 PolarHBondContact O-N 2.8Å; I19-M126 HydrophobicContact CB-CG 4.3Å; I19-M126 HydrophobicContact CG1-CG 4Å; I19-M126 HydrophobicContact CG1-SD 4.26Å; I19-M126 HydrophobicContact CG2-CG 4.07Å
20L97.5Very high84.8Confident15 Ų1551.4 Ų51.48%0.07928%0.282CS..EExtended strand (participates in β ladder)trans-80.194.7179.9-54.4-178.9000109.9I18 L69 T104 I108 V125 M126 G128I18-L20 HydrophobicContact CG2-CD2 3.97Å; L20-L69 CarbonylContact C-O 3.25Å; L20-L69 WeakPolarHBondContact CA-O 3.45Å; L20-L69 HydrophobicContact CD2-CB 4.14Å; L20-L69 HydrophobicContact CD2-CD2 3.93Å; L20-L69 HydrophobicContact CD2-CG 4.47Å; L20-T104 HydrophobicContact CD1-CG2 3.92Å; L20-I108 HydrophobicContact CD1-CD1 4.48Å; L20-I108 HydrophobicContact CD2-CD1 4.27Å; L20-I108 HydrophobicContact CD2-CG1 4.12Å; L20-V125 HydrophobicContact CD1-CG1 4.01Å; L20-V125 HydrophobicContact CG-CG1 4.2Å; L20-M126 WeakPolarHBondContact CB-O 3.46Å; L20-M126 PolarHBondContact N-O 3.31Å; L20-G128 WeakPolarHBondContact O-CA 3.44Å; L20-G128 PolarHBondContact O-N 2.75Å
21I94.7Very high86.9Confident11 Ų1151 Ų516%0.05627%0.271CS..EExtended strand (participates in β ladder)trans-87.8-10.7-173.163.8164.5000113.9I19 P40 V50 L68 L69 Y72 L78 Y95I19-I21 HydrophobicContact CG2-CG2 3.89Å; I19-I21 PolarHBondContact O-N 3.01Å; I21-P40 HydrophobicContact CB-CB 4.26Å; I21-P40 HydrophobicContact CB-CG 3.76Å; I21-P40 HydrophobicContact CG2-CB 4.26Å; I21-P40 HydrophobicContact CG2-CG 4.3Å; I21-P40 WeakPolarHBondContact O-CG 3.44Å; I21-V50 HydrophobicContact CG2-CG2 4.22Å; I21-L68 HydrophobicContact CD1-CB 4.33Å; I21-L68 HydrophobicContact CG2-CB 4.5Å; I21-L68 HydrophobicContact CG2-CD2 4.45Å; I21-L69 WeakPolarHBondContact CG1-O 3.15Å; I21-L69 PolarHBondContact N-O 3.39Å; I21-Y72 HydrophobicContact CD1-CD2 3.9Å; I21-Y72 HydrophobicContact CD1-CE2 4.3Å; I21-Y72 HydrophobicContact CG1-CD2 4.27Å; I21-Y72 HydrophobicContact CG1-CE2 4.36Å; I21-Y72 WeakPolarHBondContact O-CE2 3.44Å; I21-L78 HydrophobicContact CD1-CD2 4.34Å; I21-Y95 HydrophobicContact CD1-CD2 4.09Å; I21-Y95 HydrophobicContact CD1-CE2 3.75Å; I21-Y95 HydrophobicContact CG1-CE2 4.34Å
22G90.1Very high88.5Confident20 Ų2045.9 Ų45.921%0.20624%0.236CC..EExtended strand (participates in β ladder)trans70.5-141.8179.500000112.7G70 F71 Y72G22-G70 CarbonylContact O-C 3.51Å; G22-G70 WeakPolarHBondContact O-CA 3.37Å; G22-F71 PolarHBondContact O-N 3.46Å; G22-Y72 WeakPolarHBondContact O-CD2 3.39Å; G22-Y72 WeakPolarHBondContact O-CE2 3.39Å
23G86.6Confident89Confident0 Ų042.8 Ų42.80%022%0.216CC..  trans-169.7-177.3-178.500000113.8C25 K26 F71 Y72G23-C25 VanDerWaalsContact C-N 3.28Å; G23-C25 PolarHBondContact O-N 3.39Å; G23-C25 VanDerWaalsContact O-N 3.16Å; G23-K26 WeakPolarHBondContact O-CA 3.38Å; G23-K26 VanDerWaalsContact O-CB 3.3Å; G23-K26 WeakPolarHBondContact O-CB 3.29Å; G23-K26 PolarHBondContact O-N 3.03Å; G23-F71 VanDerWaalsContact CA-CD2 3.47Å; G23-F71 VanDerWaalsContact N-CZ 3.28Å; G23-Y72 VanDerWaalsContact C-CE1 3.49Å; G23-Y72 VanDerWaalsContact CA-CZ 3.42Å
24P78.6Confident88.9Confident75 Ų7540 Ų4049%0.48721%0.208SC..THydrogen-bonded Turntrans-66.7-23.7-162.225.3-34.7000114.6K26 F71 Y72P24-K26 PolarHBondContact O-N 3.44Å; P24-F71 WeakPolarHBondContact CD-O 3.4Å; P24-Y72 HydrophobicContact CB-CD1 4.4Å; P24-Y72 HydrophobicContact CB-CE1 4.33Å; P24-Y72 HydrophobicContact CG-CD1 4.49Å
25C73.3Confident88.5Confident104 Ų10440.4 Ų40.470%0.70321%0.214SC*.THydrogen-bonded Turntrans-75.9-9.3173.6-55.60000113.1G23G23-C25 VanDerWaalsContact C-N 3.28Å; G23-C25 PolarHBondContact O-N 3.39Å; G23-C25 VanDerWaalsContact O-N 3.16Å
26K69.5Low87.7Confident110 Ų11044.9 Ų44.948%0.47823%0.234SC..SBendtrans-94.3156.8174.3-55.5-70.2-177177.70109.6G23 P24 F71G23-K26 WeakPolarHBondContact O-CA 3.38Å; G23-K26 VanDerWaalsContact O-CB 3.3Å; G23-K26 WeakPolarHBondContact O-CB 3.29Å; G23-K26 PolarHBondContact O-N 3.03Å; P24-K26 PolarHBondContact O-N 3.44Å; K26-F71 HydrophobicContact CD-CZ 4.44Å; K26-F71 HydrophobicContact CG-CE2 4.41Å; K26-F71 HydrophobicContact CG-CZ 3.68Å
27G71Confident87.2Confident15 Ų1546.1 Ų46.116%0.15524%0.241CC..  trans78.831.5176.300000114.8R29 F30 S34G27-R29 PolarHBondContact O-N 3.41Å; G27-F30 WeakPolarHBondContact O-CA 3.34Å; G27-F30 WeakPolarHBondContact O-CB 3.45Å; G27-F30 PolarHBondContact O-N 3.39Å; G27-S34 PolarHBondContact O-OG 2.83Å
28T80.6Confident86.8Confident82 Ų8247.2 Ų47.250%0.50325%0.249SC..G310 helixtrans-57.7-34174.6530000112.6F30 R31T28-F30 PolarHBondContact O-N 3.01Å; T28-R31 WeakPolarHBondContact O-CB 3.25Å; T28-R31 WeakPolarHBondContact O-CG 3.29Å; T28-R31 PolarHBondContact O-N 2.88Å
29R85.3Confident86.5Confident156 Ų15648.2 Ų48.259%0.58925%0.253SS*.G310 helixtrans-73.8-7.1174.3-60.8-175.8-175-177.21.2114.1G27 F262G27-R29 PolarHBondContact O-N 3.41Å; R29-F262 HydrophobicContact CB-CB 4.04Å; R29-F262 VanDerWaalsContact O-CA 3.29Å; R29-F262 WeakPolarHBondContact O-CA 3.44Å; R29-F262 WeakPolarHBondContact O-CB 3.42Å
30F89.4Confident86.3Confident0 Ų048.4 Ų48.40%025%0.254CS..G310 helixtrans-93.5-7.5175.5-158.5-98.3000112.2G27 T28 L33 S34 K39 F42 I260 V266G27-F30 WeakPolarHBondContact O-CA 3.34Å; G27-F30 WeakPolarHBondContact O-CB 3.45Å; G27-F30 PolarHBondContact O-N 3.39Å; T28-F30 PolarHBondContact O-N 3.01Å; F30-L33 HydrophobicContact CD1-CB 3.83Å; F30-L33 HydrophobicContact CE1-CB 3.63Å; F30-L33 HydrophobicContact CE1-CD1 4.35Å; F30-L33 HydrophobicContact CZ-CB 4.41Å; F30-L33 HydrophobicContact CZ-CD1 4.34Å; F30-L33 WeakPolarHBondContact O-CB 3.3Å; F30-L33 PolarHBondContact O-N 2.93Å; F30-S34 PolarHBondContact O-N 3.19Å; F30-K39 HydrophobicContact CB-CD 4.27Å; F30-K39 HydrophobicContact CD1-CB 4.35Å; F30-K39 HydrophobicContact CD1-CD 4.47Å; F30-K39 HydrophobicContact CD1-CG 4.01Å; F30-K39 HydrophobicContact CD2-CD 4.04Å; F30-K39 HydrophobicContact CD2-CG 4.18Å; F30-K39 HydrophobicContact CE1-CG 4.1Å; F30-K39 HydrophobicContact CE2-CG 4.28Å; F30-K39 HydrophobicContact CG-CD 4.01Å; F30-K39 HydrophobicContact CG-CG 4.03Å; F30-K39 HydrophobicContact CZ-CG 4.23Å; F30-F42 HydrophobicContact CE1-CB 3.94Å; F30-F42 HydrophobicContact CE1-CD1 4.47Å; F30-F42 AromaticContact CE1-CD2 3.73Å; F30-F42 HydrophobicContact CE1-CD2 3.73Å; F30-F42 HydrophobicContact CE1-CE2 4.41Å; F30-F42 AromaticContact CE1-CG 3.77Å; F30-F42 HydrophobicContact CE1-CG 3.77Å; F30-F42 HydrophobicContact CZ-CB 3.89Å; F30-F42 AromaticContact CZ-CD1 3.81Å; F30-F42 HydrophobicContact CZ-CD1 3.81Å; F30-F42 AromaticContact CZ-CD2 3.87Å; F30-F42 HydrophobicContact CZ-CD2 3.87Å; F30-F42 HydrophobicContact CZ-CE1 4.34Å; F30-F42 HydrophobicContact CZ-CE2 4.4Å; F30-F42 AromaticContact CZ-CG 3.55Å; F30-F42 HydrophobicContact CZ-CG 3.55Å; F30-I260 HydrophobicContact CD2-CG2 4.12Å; F30-I260 HydrophobicContact CE2-CG2 3.5Å; F30-I260 VanDerWaalsContact CE2-CG2 3.5Å; F30-I260 HydrophobicContact CZ-CG2 4.34Å; F30-V266 HydrophobicContact CE2-CG1 3.39Å; F30-V266 HydrophobicContact CZ-CG1 3.63Å
31R90.2Very high86.2Confident119 Ų11948.1 Ų48.145%0.44925%0.253SS..THydrogen-bonded Turntrans-66.4147.2174.7-65.7177.2-178.1173-0.5110.2T28 S34 L35T28-R31 WeakPolarHBondContact O-CB 3.25Å; T28-R31 WeakPolarHBondContact O-CG 3.29Å; T28-R31 PolarHBondContact O-N 2.88Å; R31-S34 WeakPolarHBondContact CG-OG 3.48Å; R31-S34 PolarHBondContact N-OG 3.13Å; R31-L35 HydrophobicContact CG-CD2 4.05Å; R31-L35 HydrophobicContact CG-CG 4.21Å
32P91.7Very high86.2Confident2 Ų247.6 Ų47.61%0.01325%0.25CS..THydrogen-bonded Turncis-79.9-8.66.531.3-36.1000115.4S34 L35 V427 I444 L446 P447P32-S34 PolarHBondContact O-N 2.97Å; P32-S34 VanDerWaalsContact O-N 3.16Å; P32-L35 HydrophobicContact CB-CD1 3.97Å; P32-L35 VanDerWaalsContact O-CB 3.29Å; P32-L35 WeakPolarHBondContact O-CB 3.34Å; P32-L35 WeakPolarHBondContact O-CG 3.49Å; P32-L35 PolarHBondContact O-N 2.91Å; P32-V427 HydrophobicContact CG-CG1 4.16Å; P32-I444 VanDerWaalsContact CD-CG2 3.48Å; P32-I444 HydrophobicContact CG-CG2 4.18Å; P32-L446 HydrophobicContact CB-CD2 3.94Å; P32-L446 HydrophobicContact CG-CD2 4.31Å; P32-P447 HydrophobicContact CB-CG 4.21Å
33L90.8Very high86.5Confident2 Ų248.1 Ų48.11%0.0125%0.25CC..Hα-helixtrans-61.9-29.3-172.3-55.4174000113.6F30 F42 A263 V380 V427F30-L33 HydrophobicContact CD1-CB 3.83Å; F30-L33 HydrophobicContact CE1-CB 3.63Å; F30-L33 HydrophobicContact CE1-CD1 4.35Å; F30-L33 HydrophobicContact CZ-CB 4.41Å; F30-L33 HydrophobicContact CZ-CD1 4.34Å; F30-L33 WeakPolarHBondContact O-CB 3.3Å; F30-L33 PolarHBondContact O-N 2.93Å; L33-F42 HydrophobicContact CB-CD2 4.21Å; L33-F42 HydrophobicContact CB-CE2 3.96Å; L33-F42 HydrophobicContact CD1-CE2 3.84Å; L33-F42 HydrophobicContact CD1-CZ 3.98Å; L33-F42 HydrophobicContact CD2-CE2 4.16Å; L33-F42 HydrophobicContact CG-CE2 4.21Å; L33-A263 HydrophobicContact CD1-CB 3.77Å; L33-V380 HydrophobicContact CD1-CB 4.39Å; L33-V380 HydrophobicContact CD1-CG1 3.91Å; L33-V380 HydrophobicContact CD1-CG2 4.46Å; L33-V380 HydrophobicContact CD2-CG1 3.72Å; L33-V380 HydrophobicContact CG-CG1 4.48Å; L33-V427 HydrophobicContact CD1-CG1 3.99Å; L33-V427 HydrophobicContact CD2-CG1 3.77Å; L33-V427 HydrophobicContact CG-CG1 3.74Å
34S88.5Confident87.1Confident27 Ų2748.2 Ų48.219%0.18925%0.25CS..Hα-helixtrans-86.12.5175.649.30000115.3G27 F30 R31 P32 L37G27-S34 PolarHBondContact O-OG 2.83Å; F30-S34 PolarHBondContact O-N 3.19Å; R31-S34 WeakPolarHBondContact CG-OG 3.48Å; R31-S34 PolarHBondContact N-OG 3.13Å; P32-S34 PolarHBondContact O-N 2.97Å; P32-S34 VanDerWaalsContact O-N 3.16Å; S34-L37 WeakPolarHBondContact CA-O 3.45Å
35L87.7Confident88Confident96 Ų9644.6 Ų44.650%0.50323%0.227SC..Hα-helixtrans-74.5-41176.5-66.2175.5000111.6R31 P32 P447R31-L35 HydrophobicContact CG-CD2 4.05Å; R31-L35 HydrophobicContact CG-CG 4.21Å; P32-L35 HydrophobicContact CB-CD1 3.97Å; P32-L35 VanDerWaalsContact O-CB 3.29Å; P32-L35 WeakPolarHBondContact O-CB 3.34Å; P32-L35 WeakPolarHBondContact O-CG 3.49Å; P32-L35 PolarHBondContact O-N 2.91Å; L35-P447 HydrophobicContact CD1-CG 4.21Å
36E81.7Confident89.1Confident98 Ų9840.9 Ų40.946%0.45821%0.206SC..Hα-helixtrans-83.5-44.9-179.7-70.7-83.1177.700111.8W383 S430E36-W383 HydrophobicContact CB-CE3 4.24Å; E36-W383 HydrophobicContact CB-CZ3 4.1Å; E36-W383 HydrophobicContact CG-CE3 4.38Å; E36-S430 VanDerWaalsContact CD-OG 3.25Å; E36-S430 WeakPolarHBondContact CG-OG 3.42Å; E36-S430 WeakPolarHBondContact OE1-CB 3.44Å; E36-S430 PolarHBondContact OE1-OG 3.03Å
37L88.6Confident90.5Very high36 Ų3637.7 Ų37.719%0.18819%0.192CC..SBendtrans-130.4132.3-168.3-165.570000110.9S34 K39 L41 A77 W383S34-L37 WeakPolarHBondContact CA-O 3.45Å; L37-K39 PolarHBondContact O-N 2.81Å; L37-L41 HydrophobicContact CD1-CB 4.05Å; L37-L41 HydrophobicContact CD1-CD1 4.16Å; L37-L41 HydrophobicContact CD2-CB 3.9Å; L37-L41 VanDerWaalsContact CD2-O 3.31Å; L37-L41 WeakPolarHBondContact CD2-O 3.31Å; L37-L41 HydrophobicContact CG-CB 3.76Å; L37-A77 HydrophobicContact CD1-CB 4.15Å; L37-W383 HydrophobicContact CB-CH2 3.9Å; L37-W383 HydrophobicContact CB-CZ2 4.06Å; L37-W383 HydrophobicContact CD2-CH2 4.28Å; L37-W383 HydrophobicContact CD2-CZ2 3.72Å
38P90.6Very high91.7Very high23 Ų2338.5 Ų38.515%0.14919%0.194CC..  trans-47.9134.6171.5-30.536000111.9P40 L41 F42 Y72P38-P40 VanDerWaalsContact C-N 3.32Å; P38-P40 VanDerWaalsContact O-N 3.16Å; P38-L41 HydrophobicContact CB-CB 4.46Å; P38-L41 HydrophobicContact CB-CD1 4.16Å; P38-L41 HydrophobicContact CB-CG 4.12Å; P38-L41 HydrophobicContact CG-CD1 4Å; P38-L41 WeakPolarHBondContact O-CA 3.45Å; P38-L41 WeakPolarHBondContact O-CB 3.4Å; P38-L41 PolarHBondContact O-N 3.34Å; P38-F42 PolarHBondContact O-N 2.92Å; P38-Y72 HydrophobicContact CB-CD1 3.97Å; P38-Y72 HydrophobicContact CB-CE1 3.61Å; P38-Y72 HydrophobicContact CB-CE2 4.4Å; P38-Y72 HydrophobicContact CG-CD1 4.03Å; P38-Y72 HydrophobicContact CG-CE1 4.1Å
39K92.4Very high92.5Very high21 Ų2134.9 Ų34.99%0.09117%0.172CC..G310 helixtrans-49.5-42.6-178.5-174.1-179.375.1165.10114.3F30 L37 L41 F42 D129 I260F30-K39 HydrophobicContact CB-CD 4.27Å; F30-K39 HydrophobicContact CD1-CB 4.35Å; F30-K39 HydrophobicContact CD1-CD 4.47Å; F30-K39 HydrophobicContact CD1-CG 4.01Å; F30-K39 HydrophobicContact CD2-CD 4.04Å; F30-K39 HydrophobicContact CD2-CG 4.18Å; F30-K39 HydrophobicContact CE1-CG 4.1Å; F30-K39 HydrophobicContact CE2-CG 4.28Å; F30-K39 HydrophobicContact CG-CD 4.01Å; F30-K39 HydrophobicContact CG-CG 4.03Å; F30-K39 HydrophobicContact CZ-CG 4.23Å; L37-K39 PolarHBondContact O-N 2.81Å; K39-L41 PolarHBondContact O-N 3.12Å; K39-F42 VanDerWaalsContact O-CB 3.31Å; K39-F42 WeakPolarHBondContact O-CB 3.21Å; K39-F42 PolarHBondContact O-N 3.41Å; K39-F42 VanDerWaalsContact O-N 3.08Å; K39-D129 IonicContact NZ-OD2 3.58Å; K39-D129 PolarHBondContact NZ-OD2 3.06Å; K39-D129 VanDerWaalsContact NZ-OD2 3.08Å; K39-I260 WeakPolarHBondContact CD-O 3.49Å; K39-I260 PolarHBondContact NZ-O 3.44Å
40P93.7Very high93Very high5 Ų527.5 Ų27.53%0.03214%0.144CC..G310 helixtrans-62.1-22.7177.3-19.730.9000113.9I21 P38 V49 V50 Y72I21-P40 HydrophobicContact CB-CB 4.26Å; I21-P40 HydrophobicContact CB-CG 3.76Å; I21-P40 HydrophobicContact CG2-CB 4.26Å; I21-P40 HydrophobicContact CG2-CG 4.3Å; I21-P40 WeakPolarHBondContact O-CG 3.44Å; P38-P40 VanDerWaalsContact C-N 3.32Å; P38-P40 VanDerWaalsContact O-N 3.16Å; P40-V49 PolarHBondContact O-N 3.06Å; P40-V50 HydrophobicContact CB-CB 4.21Å; P40-V50 WeakPolarHBondContact O-CG1 3.37Å; P40-V50 PolarHBondContact O-N 2.87Å; P40-Y72 WeakPolarHBondContact CD-OH 3.25Å; P40-Y72 HydrophobicContact CG-CE2 3.97Å
41L94.8Very high93.4Very high9 Ų928.1 Ų28.15%0.04715%0.147CC..G310 helixtrans-89.7-8179-59-174.5000112.7L37 P38 K39 V50 A77 L78 L81L37-L41 HydrophobicContact CD1-CB 4.05Å; L37-L41 HydrophobicContact CD1-CD1 4.16Å; L37-L41 HydrophobicContact CD2-CB 3.9Å; L37-L41 VanDerWaalsContact CD2-O 3.31Å; L37-L41 WeakPolarHBondContact CD2-O 3.31Å; L37-L41 HydrophobicContact CG-CB 3.76Å; P38-L41 HydrophobicContact CB-CB 4.46Å; P38-L41 HydrophobicContact CB-CD1 4.16Å; P38-L41 HydrophobicContact CB-CG 4.12Å; P38-L41 HydrophobicContact CG-CD1 4Å; P38-L41 WeakPolarHBondContact O-CA 3.45Å; P38-L41 WeakPolarHBondContact O-CB 3.4Å; P38-L41 PolarHBondContact O-N 3.34Å; K39-L41 PolarHBondContact O-N 3.12Å; L41-V50 HydrophobicContact CD2-CG1 4.06Å; L41-A77 HydrophobicContact CD1-CB 3.75Å; L41-L78 HydrophobicContact CD1-CB 4.23Å; L41-L78 HydrophobicContact CD2-CD1 4.04Å; L41-L81 HydrophobicContact CD2-CB 4.31Å; L41-L81 HydrophobicContact CD2-CD1 3.44Å; L41-L81 VanDerWaalsContact CD2-CD1 3.44Å; L41-L81 HydrophobicContact CD2-CG 4.4Å
42F95.4Very high93.8Very high0 Ų023.7 Ų23.70%013%0.131CC..SBendtrans-61.9129.6179.5-173.6-91.3000110.7F30 L33 P38 K39 I44 P48 V49 V266 I363 L365 V380 W383F30-F42 HydrophobicContact CE1-CB 3.94Å; F30-F42 HydrophobicContact CE1-CD1 4.47Å; F30-F42 AromaticContact CE1-CD2 3.73Å; F30-F42 HydrophobicContact CE1-CD2 3.73Å; F30-F42 HydrophobicContact CE1-CE2 4.41Å; F30-F42 AromaticContact CE1-CG 3.77Å; F30-F42 HydrophobicContact CE1-CG 3.77Å; F30-F42 HydrophobicContact CZ-CB 3.89Å; F30-F42 AromaticContact CZ-CD1 3.81Å; F30-F42 HydrophobicContact CZ-CD1 3.81Å; F30-F42 AromaticContact CZ-CD2 3.87Å; F30-F42 HydrophobicContact CZ-CD2 3.87Å; F30-F42 HydrophobicContact CZ-CE1 4.34Å; F30-F42 HydrophobicContact CZ-CE2 4.4Å; F30-F42 AromaticContact CZ-CG 3.55Å; F30-F42 HydrophobicContact CZ-CG 3.55Å; L33-F42 HydrophobicContact CB-CD2 4.21Å; L33-F42 HydrophobicContact CB-CE2 3.96Å; L33-F42 HydrophobicContact CD1-CE2 3.84Å; L33-F42 HydrophobicContact CD1-CZ 3.98Å; L33-F42 HydrophobicContact CD2-CE2 4.16Å; L33-F42 HydrophobicContact CG-CE2 4.21Å; P38-F42 PolarHBondContact O-N 2.92Å; K39-F42 VanDerWaalsContact O-CB 3.31Å; K39-F42 WeakPolarHBondContact O-CB 3.21Å; K39-F42 PolarHBondContact O-N 3.41Å; K39-F42 VanDerWaalsContact O-N 3.08Å; F42-I44 HydrophobicContact CD1-CG1 4.06Å; F42-I44 HydrophobicContact CE1-CG1 4.43Å; F42-P48 WeakPolarHBondContact O-CA 3.33Å; F42-V49 WeakPolarHBondContact O-CG2 3.28Å; F42-V49 PolarHBondContact O-N 3.39Å; F42-V266 HydrophobicContact CD1-CB 4.42Å; F42-V266 HydrophobicContact CD1-CG1 3.91Å; F42-V266 HydrophobicContact CE1-CB 3.83Å; F42-V266 HydrophobicContact CE1-CG1 3.72Å; F42-V266 HydrophobicContact CE1-CG2 3.8Å; F42-V266 HydrophobicContact CZ-CG2 4.14Å; F42-I363 HydrophobicContact CE1-CD1 4.1Å; F42-I363 HydrophobicContact CZ-CG2 4.49Å; F42-L365 HydrophobicContact CE2-CD1 3.91Å; F42-L365 HydrophobicContact CE2-CD2 4.32Å; F42-L365 HydrophobicContact CZ-CD1 4.37Å; F42-L365 HydrophobicContact CZ-CD2 4.24Å; F42-V380 HydrophobicContact CE2-CG1 4.49Å; F42-V380 HydrophobicContact CZ-CG1 3.96Å; F42-W383 AromaticContact CD2-CH2 3.95Å; F42-W383 HydrophobicContact CD2-CH2 3.95Å; F42-W383 HydrophobicContact CD2-CZ2 4.43Å; F42-W383 HydrophobicContact CE2-CH2 4.06Å
43P97Very high94.1Very high31 Ų3123.8 Ų23.820%0.20113%0.131CC..EExtended strand (participates in β ladder)trans-76.7129.2-17730.3-34.5000111.8F47 L365P43-F47 CarbonylContact C-O 3.58Å; P43-F47 WeakPolarHBondContact CA-O 3.28Å; P43-L365 HydrophobicContact CG-CD2 3.44Å; P43-L365 VanDerWaalsContact CG-CD2 3.44Å
44I97.7Very high94.4Very high1 Ų123.7 Ų23.71%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-125129.6170.5-60.8-171.4000107.1F42 G46 F47 V49 H52 I260 V266 A269 N270 I273F42-I44 HydrophobicContact CD1-CG1 4.06Å; F42-I44 HydrophobicContact CE1-CG1 4.43Å; I44-G46 PolarHBondContact O-N 2.71Å; I44-F47 PolarHBondContact N-O 2.83Å; I44-F47 PolarHBondContact O-N 3.47Å; I44-F47 VanDerWaalsContact O-N 3.16Å; I44-V49 HydrophobicContact CD1-CG2 3.7Å; I44-V49 HydrophobicContact CG1-CG2 4.02Å; I44-H52 PolarHBondContact O-CE1 2.6Å; I44-H52 PolarHBondContact O-NE2 3.33Å; I44-I260 HydrophobicContact CD1-CD1 3.38Å; I44-I260 HydrophobicContact CD1-CG1 4.14Å; I44-V266 HydrophobicContact CD1-CB 4.34Å; I44-V266 HydrophobicContact CD1-CG1 4.23Å; I44-A269 HydrophobicContact CD1-CB 3.8Å; I44-A269 HydrophobicContact CG2-CB 4.07Å; I44-N270 HydrophobicContact CG2-CB 4.26Å; I44-I273 HydrophobicContact CG2-CB 4.45Å; I44-I273 HydrophobicContact CG2-CG1 4.26Å
45A98.1Very high94.9Very high0 Ų023 Ų230%013%0.125CC..THydrogen-bonded Turntrans5239-173.900000112.6F47 N270 I273 L274 Y277 S346A45-F47 VanDerWaalsContact C-N 3.34Å; A45-F47 WeakPolarHBondContact O-CD2 3.34Å; A45-F47 PolarHBondContact O-N 2.66Å; A45-N270 WeakPolarHBondContact CA-OD1 3.32Å; A45-N270 PolarHBondContact N-OD1 3.4Å; A45-I273 HydrophobicContact CB-CB 3.89Å; A45-I273 HydrophobicContact CB-CG2 3.52Å; A45-L274 HydrophobicContact CB-CD2 3.82Å; A45-L274 HydrophobicContact CB-CG 3.89Å; A45-Y277 HydrophobicContact CB-CD2 4.36Å; A45-Y277 HydrophobicContact CB-CE2 3.77Å; A45-Y277 VanDerWaalsContact O-CE2 3.28Å; A45-Y277 WeakPolarHBondContact O-CE2 3.25Å; A45-S346 WeakPolarHBondContact CA-OG 3.46Å
46G97.2Very high95.4Very high25 Ų2519.7 Ų19.726%0.25811%0.112SC..THydrogen-bonded Turntrans87.1-13.1178.300000116.3I44 F328I44-G46 PolarHBondContact O-N 2.71Å; G46-F328 VanDerWaalsContact CA-CD1 3.45Å
47F97.8Very high96.2Very high43 Ų4315 Ų1519%0.1899%0.09CC..EExtended strand (participates in β ladder)trans-127.3145.7-175-64.8-96.8000111.9P43 I44 A45 Y51 H52 Y277 R284 F328P43-F47 CarbonylContact C-O 3.58Å; P43-F47 WeakPolarHBondContact CA-O 3.28Å; I44-F47 PolarHBondContact N-O 2.83Å; I44-F47 PolarHBondContact O-N 3.47Å; I44-F47 VanDerWaalsContact O-N 3.16Å; A45-F47 VanDerWaalsContact C-N 3.34Å; A45-F47 WeakPolarHBondContact O-CD2 3.34Å; A45-F47 PolarHBondContact O-N 2.66Å; F47-Y51 HydrophobicContact CB-CD1 3.77Å; F47-Y51 HydrophobicContact CB-CE1 4.4Å; F47-Y51 HydrophobicContact CB-CG 4.24Å; F47-Y51 AromaticContact CD1-CD1 3.57Å; F47-Y51 HydrophobicContact CD1-CD1 3.57Å; F47-Y51 AromaticContact CD1-CE1 3.37Å; F47-Y51 HydrophobicContact CD1-CE1 3.37Å; F47-Y51 HydrophobicContact CD1-CE2 4.36Å; F47-Y51 HydrophobicContact CD1-CG 4.15Å; F47-Y51 AromaticContact CD1-CZ 3.79Å; F47-Y51 HydrophobicContact CE1-CD1 4.47Å; F47-Y51 AromaticContact CE1-CE1 3.85Å; F47-Y51 HydrophobicContact CE1-CE1 3.85Å; F47-Y51 AromaticContact CG-CD1 3.93Å; F47-Y51 HydrophobicContact CG-CD1 3.93Å; F47-Y51 HydrophobicContact CG-CE1 4.05Å; F47-H52 PolarHBondContact O-NE2 3.24Å; F47-H52 VanDerWaalsContact O-NE2 3.11Å; F47-Y277 HydrophobicContact CD2-CE2 4.48Å; F47-Y277 WeakPolarHBondContact CD2-OH 3.4Å; F47-R284 HydrophobicContact CE2-CG 4.26Å; F47-F328 HydrophobicContact CD2-CE2 4.45Å; F47-F328 AromaticContact CE2-CE2 3.73Å; F47-F328 HydrophobicContact CE2-CE2 3.73Å; F47-F328 HydrophobicContact CE2-CZ 4.23Å; F47-F328 HydrophobicContact CZ-CE2 4.47Å
48P96.9Very high96.6Very high32 Ų3214.7 Ų14.721%0.2089%0.09CC..EExtended strand (participates in β ladder)trans-51.2144.6174.8-31.138.8000113.7F42 V50 Y51 H52 L81F42-P48 WeakPolarHBondContact O-CA 3.33Å; P48-V50 VanDerWaalsContact C-N 3.28Å; P48-V50 HydrophobicContact CB-CG1 4.48Å; P48-V50 PolarHBondContact O-N 3.42Å; P48-Y51 WeakPolarHBondContact O-CA 3.29Å; P48-Y51 WeakPolarHBondContact O-CB 3.07Å; P48-Y51 PolarHBondContact O-N 3.03Å; P48-H52 PolarHBondContact O-CD2 3.46Å; P48-H52 PolarHBondContact O-N 3.35Å; P48-L81 HydrophobicContact CB-CD1 3.54Å; P48-L81 HydrophobicContact CG-CD1 3.7Å
49V96.8Very high96.9Very high7 Ų718.9 Ų18.94%0.04211%0.106CC..Hα-helixtrans-49.3-49.3177.5178.70000112.2P40 F42 I44 Y51 H52 I260P40-V49 PolarHBondContact O-N 3.06Å; F42-V49 WeakPolarHBondContact O-CG2 3.28Å; F42-V49 PolarHBondContact O-N 3.39Å; I44-V49 HydrophobicContact CD1-CG2 3.7Å; I44-V49 HydrophobicContact CG1-CG2 4.02Å; V49-Y51 PolarHBondContact O-N 3.22Å; V49-H52 PolarHBondContact O-N 3.45Å; V49-I260 HydrophobicContact CB-CD1 4.36Å; V49-I260 HydrophobicContact CG1-CD1 3.78Å; V49-I260 HydrophobicContact CG2-CD1 3.54Å
50V96.6Very high97Very high0 Ų018.3 Ų18.30%010%0.104CC..Hα-helixtrans-67.2-24.8-179.271.10000113I19 I21 P40 L41 P48 H53 I54 L68 L81I19-V50 HydrophobicContact CD1-CG2 4.37Å; I19-V50 HydrophobicContact CG2-CG2 4.38Å; I21-V50 HydrophobicContact CG2-CG2 4.22Å; P40-V50 HydrophobicContact CB-CB 4.21Å; P40-V50 WeakPolarHBondContact O-CG1 3.37Å; P40-V50 PolarHBondContact O-N 2.87Å; L41-V50 HydrophobicContact CD2-CG1 4.06Å; P48-V50 VanDerWaalsContact C-N 3.28Å; P48-V50 HydrophobicContact CB-CG1 4.48Å; P48-V50 PolarHBondContact O-N 3.42Å; V50-H53 PolarHBondContact O-N 2.9Å; V50-I54 HydrophobicContact CG2-CD1 4.21Å; V50-I54 WeakPolarHBondContact O-CG1 3.37Å; V50-I54 PolarHBondContact O-N 3.07Å; V50-L68 HydrophobicContact CG2-CD1 4.1Å; V50-L68 HydrophobicContact CG2-CD2 3.58Å; V50-L81 HydrophobicContact CG1-CD1 3.43Å; V50-L81 VanDerWaalsContact CG1-CD1 3.43Å; V50-L81 HydrophobicContact CG1-CD2 3.8Å; V50-L81 HydrophobicContact CG1-CG 4.33Å
51Y97.5Very high97Very high13 Ų1321.6 Ų21.65%0.05113%0.125CC..Hα-helixtrans-63.9-44.1175.8-176-85.3000111.1F47 P48 V49 H53 I54 E55 E88 F89F47-Y51 HydrophobicContact CB-CD1 3.77Å; F47-Y51 HydrophobicContact CB-CE1 4.4Å; F47-Y51 HydrophobicContact CB-CG 4.24Å; F47-Y51 AromaticContact CD1-CD1 3.57Å; F47-Y51 HydrophobicContact CD1-CD1 3.57Å; F47-Y51 AromaticContact CD1-CE1 3.37Å; F47-Y51 HydrophobicContact CD1-CE1 3.37Å; F47-Y51 HydrophobicContact CD1-CE2 4.36Å; F47-Y51 HydrophobicContact CD1-CG 4.15Å; F47-Y51 AromaticContact CD1-CZ 3.79Å; F47-Y51 HydrophobicContact CE1-CD1 4.47Å; F47-Y51 AromaticContact CE1-CE1 3.85Å; F47-Y51 HydrophobicContact CE1-CE1 3.85Å; F47-Y51 AromaticContact CG-CD1 3.93Å; F47-Y51 HydrophobicContact CG-CD1 3.93Å; F47-Y51 HydrophobicContact CG-CE1 4.05Å; P48-Y51 WeakPolarHBondContact O-CA 3.29Å; P48-Y51 WeakPolarHBondContact O-CB 3.07Å; P48-Y51 PolarHBondContact O-N 3.03Å; V49-Y51 PolarHBondContact O-N 3.22Å; Y51-H53 PolarHBondContact O-N 2.8Å; Y51-I54 PolarHBondContact O-N 3.13Å; Y51-E55 WeakPolarHBondContact O-CB 3.46Å; Y51-E55 PolarHBondContact O-N 3.48Å; Y51-E88 PolarHBondContact OH-OE1 3.38Å; Y51-E88 PolarHBondContact OH-OE2 3.02Å; Y51-F89 HydrophobicContact CD2-CE2 4.32Å; Y51-F89 HydrophobicContact CE1-CE2 4.05Å; Y51-F89 AromaticContact CE1-CZ 3.66Å; Y51-F89 HydrophobicContact CE1-CZ 3.66Å; Y51-F89 AromaticContact CE2-CE2 3.72Å; Y51-F89 HydrophobicContact CE2-CE2 3.72Å; Y51-F89 HydrophobicContact CE2-CZ 4.06Å; Y51-F89 AromaticContact CZ-CE2 3.56Å; Y51-F89 AromaticContact CZ-CZ 3.39Å; Y51-F89 VanDerWaalsContact OH-CZ 3.27Å; Y51-F89 WeakPolarHBondContact OH-CZ 3.4Å
52H97.7Very high97Very high26 Ų2621.8 Ų21.812%0.1213%0.13CC..Hα-helixtrans-58.6-38.5175.4-61-78.6000112I44 F47 P48 V49 A56 Y277I44-H52 PolarHBondContact O-CE1 2.6Å; I44-H52 PolarHBondContact O-NE2 3.33Å; F47-H52 PolarHBondContact O-NE2 3.24Å; F47-H52 VanDerWaalsContact O-NE2 3.11Å; P48-H52 PolarHBondContact O-CD2 3.46Å; P48-H52 PolarHBondContact O-N 3.35Å; V49-H52 PolarHBondContact O-N 3.45Å; H52-A56 WeakPolarHBondContact O-CB 3.49Å; H52-A56 PolarHBondContact O-N 3.4Å; H52-Y277 AromaticContact CE1-CZ 3.89Å; H52-Y277 PolarHBondContact CE1-OH 3.01Å
53H98.2Very high97.1Very high4 Ų422.9 Ų22.92%0.01914%0.135CC..Hα-helixtrans-67.3-46177-59.4-28000111.7I19 V50 Y51 A56 F57 M126 V130I19-H53 HydrophobicContact CD1-CB 3.65Å; V50-H53 PolarHBondContact O-N 2.9Å; Y51-H53 PolarHBondContact O-N 2.8Å; H53-A56 PolarHBondContact O-N 3.43Å; H53-F57 WeakPolarHBondContact O-CD2 3.35Å; H53-F57 PolarHBondContact O-N 3.36Å; H53-M126 HydrophobicContact CB-CE 4.45Å; H53-M126 HydrophobicContact CB-SD 3.95Å; H53-M126 VanDerWaalsContact CE1-CE 3.4Å; H53-M126 WeakPolarHBondContact CE1-CE 3.43Å; H53-M126 WeakPolarHBondContact ND1-CE 3.23Å; H53-V130 PolarHBondContact CE1-O 2.9Å; H53-V130 PolarHBondContact NE2-O 3.24Å
54I98.5Very high97.1Very high0 Ų027.9 Ų27.90%015%0.15CC..Hα-helixtrans-61.6-46.1177.9-68.5162.8000110.5I19 V50 Y51 A56 F57 S58 I66 L68 L81 A85 F89 V91 V93I19-I54 HydrophobicContact CD1-CG1 4.22Å; V50-I54 HydrophobicContact CG2-CD1 4.21Å; V50-I54 WeakPolarHBondContact O-CG1 3.37Å; V50-I54 PolarHBondContact O-N 3.07Å; Y51-I54 PolarHBondContact O-N 3.13Å; I54-A56 PolarHBondContact O-N 3.46Å; I54-F57 PolarHBondContact O-N 3.2Å; I54-S58 WeakPolarHBondContact O-CB 3.5Å; I54-S58 PolarHBondContact O-N 3.24Å; I54-I66 HydrophobicContact CB-CD1 4.34Å; I54-I66 HydrophobicContact CG1-CG2 4.3Å; I54-I66 HydrophobicContact CG2-CD1 3.87Å; I54-L68 HydrophobicContact CD1-CD2 4.47Å; I54-L81 HydrophobicContact CD1-CD2 3.74Å; I54-A85 HydrophobicContact CD1-CB 4.19Å; I54-A85 HydrophobicContact CG2-CB 3.93Å; I54-F89 HydrophobicContact CG2-CD2 3.81Å; I54-F89 HydrophobicContact CG2-CE2 4.24Å; I54-V91 HydrophobicContact CG2-CG2 4.5Å; I54-V93 HydrophobicContact CD1-CG1 4.12Å; I54-V93 HydrophobicContact CG2-CG2 4.15Å
55E98Very high97.1Very high13 Ų1328.6 Ų28.66%0.06115%0.154CC..Hα-helixtrans-58.4-46.9176.6177.8165.2-115.100111.7Y51 S58 F89 H281 R284Y51-E55 WeakPolarHBondContact O-CB 3.46Å; Y51-E55 PolarHBondContact O-N 3.48Å; E55-S58 PolarHBondContact O-N 3.43Å; E55-S58 PolarHBondContact O-OG 3.39Å; E55-F89 HydrophobicContact CB-CE1 3.85Å; E55-F89 HydrophobicContact CB-CE2 4Å; E55-F89 HydrophobicContact CB-CZ 3.45Å; E55-F89 VanDerWaalsContact CB-CZ 3.45Å; E55-F89 HydrophobicContact CG-CE1 3.65Å; E55-F89 HydrophobicContact CG-CZ 3.73Å; E55-F89 WeakPolarHBondContact OE1-CE1 3.4Å; E55-H281 IonicContact OE1-CD2 3.43Å; E55-H281 IonicContact OE1-CE1 3.01Å; E55-H281 IonicContact OE1-NE2 3.18Å; E55-H281 PolarHBondContact OE1-NE2 2.93Å; E55-H281 IonicContact OE2-CE1 3.2Å; E55-H281 PolarHBondContact OE2-CE1 3.03Å; E55-H281 VanDerWaalsContact OE2-CE1 3.32Å; E55-H281 IonicContact OE2-NE2 2.71Å; E55-R284 IonicContact OE1-CZ 3.94Å; E55-R284 IonicContact OE1-NH1 3.43Å; E55-R284 PolarHBondContact OE1-NH1 3.31Å; E55-R284 IonicContact OE1-NH2 2.74Å; E55-R284 PolarHBondContact OE1-NH2 3.04Å; E55-R284 IonicContact OE2-CZ 3.29Å; E55-R284 IonicContact OE2-NH1 3.11Å; E55-R284 PolarHBondContact OE2-NH1 3.14Å; E55-R284 IonicContact OE2-NH2 3.66Å; E55-R284 PolarHBondContact OE2-NH2 3.12Å
56A97.9Very high97.1Very high27 Ų2728.6 Ų28.622%0.22315%0.154CC..Hα-helixtrans-61.9-47.4178.900000111.8H52 H53 I54 S58 K59 L134 L136H52-A56 WeakPolarHBondContact O-CB 3.49Å; H52-A56 PolarHBondContact O-N 3.4Å; H53-A56 PolarHBondContact O-N 3.43Å; I54-A56 PolarHBondContact O-N 3.46Å; A56-S58 VanDerWaalsContact C-N 3.32Å; A56-S58 PolarHBondContact O-N 2.73Å; A56-K59 PolarHBondContact O-N 2.96Å; A56-L134 HydrophobicContact CB-CB 4.48Å; A56-L134 HydrophobicContact CB-CD1 3.65Å; A56-L136 HydrophobicContact CB-CD1 4.26Å
57F98.5Very high97.2Very high0 Ų027.4 Ų27.40%014%0.141CC..Hα-helixtrans-65.1-35.7177-77.4-59000112.5A17 I19 H53 I54 K59 L60 L63 I66 F124 M126 L136 L198A17-F57 HydrophobicContact CB-CB 4.26Å; A17-F57 HydrophobicContact CB-CD1 3.59Å; A17-F57 HydrophobicContact CB-CD2 3.71Å; A17-F57 HydrophobicContact CB-CE1 3.78Å; A17-F57 HydrophobicContact CB-CE2 3.85Å; A17-F57 HydrophobicContact CB-CG 3.59Å; A17-F57 HydrophobicContact CB-CZ 3.91Å; I19-F57 HydrophobicContact CD1-CD2 4.12Å; I19-F57 HydrophobicContact CD1-CE2 4.18Å; I19-F57 HydrophobicContact CG1-CD2 4.38Å; I19-F57 HydrophobicContact CG1-CE2 3.99Å; H53-F57 WeakPolarHBondContact O-CD2 3.35Å; H53-F57 PolarHBondContact O-N 3.36Å; I54-F57 PolarHBondContact O-N 3.2Å; F57-K59 PolarHBondContact O-N 2.99Å; F57-L60 HydrophobicContact CD1-CD1 3.85Å; F57-L60 HydrophobicContact CE1-CD1 4.46Å; F57-L60 VanDerWaalsContact O-CB 3.31Å; F57-L60 WeakPolarHBondContact O-CB 3.34Å; F57-L60 PolarHBondContact O-N 3.01Å; F57-L63 HydrophobicContact CB-CD2 4.23Å; F57-L63 WeakPolarHBondContact O-CD2 3.12Å; F57-I66 HydrophobicContact CB-CD1 3.7Å; F57-I66 HydrophobicContact CB-CG1 4.17Å; F57-F124 HydrophobicContact CD1-CB 4.47Å; F57-F124 HydrophobicContact CE1-CB 3.53Å; F57-F124 HydrophobicContact CE1-CD1 4.14Å; F57-F124 HydrophobicContact CE1-CD2 4.05Å; F57-F124 AromaticContact CE1-CG 3.65Å; F57-F124 HydrophobicContact CE1-CG 3.65Å; F57-F124 HydrophobicContact CZ-CB 3.91Å; F57-F124 HydrophobicContact CZ-CG 4.39Å; F57-M126 HydrophobicContact CD2-SD 4.5Å; F57-M126 HydrophobicContact CE2-CG 4.11Å; F57-M126 HydrophobicContact CE2-SD 3.4Å; F57-M126 WeakPolarHBondContact CE2-SD 3.43Å; F57-M126 HydrophobicContact CZ-CG 4.33Å; F57-M126 HydrophobicContact CZ-SD 3.83Å; F57-L136 HydrophobicContact CD1-CD1 3.47Å; F57-L136 VanDerWaalsContact CD1-CD1 3.47Å; F57-L136 HydrophobicContact CD1-CD2 4.29Å; F57-L136 HydrophobicContact CE1-CD1 3.73Å; F57-L136 HydrophobicContact CE1-CD2 3.66Å; F57-L136 HydrophobicContact CE1-CG 4.34Å; F57-L136 HydrophobicContact CG-CD1 4.13Å; F57-L136 HydrophobicContact CZ-CD2 4.26Å; F57-L198 HydrophobicContact CZ-CD1 4.28Å
58S97.5Very high97.2Very high28 Ų2825.3 Ų25.320%0.19613%0.132CC..Hα-helixtrans-58.7-21.3-178.274.90000114.1I54 E55 A56 L60I54-S58 WeakPolarHBondContact O-CB 3.5Å; I54-S58 PolarHBondContact O-N 3.24Å; E55-S58 PolarHBondContact O-N 3.43Å; E55-S58 PolarHBondContact O-OG 3.39Å; A56-S58 VanDerWaalsContact C-N 3.32Å; A56-S58 PolarHBondContact O-N 2.73Å; S58-L60 VanDerWaalsContact C-N 3.35Å
59K95.8Very high97.2Very high111 Ų11124 Ų2448%0.48312%0.123SC..THydrogen-bonded Turntrans-81.8-13.7178.7-63.5169-175.6178.10112.8A56 F57 H281A56-K59 PolarHBondContact O-N 2.96Å; F57-K59 PolarHBondContact O-N 2.99Å; K59-H281 PolarHBondContact NZ-CE1 3.43Å; K59-H281 VanDerWaalsContact NZ-CE1 3.27Å; K59-H281 PolarHBondContact NZ-NE2 3.25Å; K59-H281 VanDerWaalsContact NZ-NE2 3.12Å
60L95.9Very high97.1Very high9 Ų923.6 Ų23.65%0.04712%0.121CC..SBendtrans-69.8128.3-177.7-79.2-176.9000112.5I15 F57 S58 G62 L63 F124 L136 E137 L140I15-L60 HydrophobicContact CG2-CD1 4.45Å; F57-L60 HydrophobicContact CD1-CD1 3.85Å; F57-L60 HydrophobicContact CE1-CD1 4.46Å; F57-L60 VanDerWaalsContact O-CB 3.31Å; F57-L60 WeakPolarHBondContact O-CB 3.34Å; F57-L60 PolarHBondContact O-N 3.01Å; S58-L60 VanDerWaalsContact C-N 3.35Å; L60-G62 PolarHBondContact O-N 2.82Å; L60-L63 HydrophobicContact CB-CB 4.2Å; L60-L63 WeakPolarHBondContact O-CB 3.37Å; L60-L63 PolarHBondContact O-N 3.39Å; L60-F124 HydrophobicContact CD1-CD2 3.77Å; L60-F124 HydrophobicContact CD1-CE2 3.48Å; L60-F124 VanDerWaalsContact CD1-CE2 3.48Å; L60-F124 HydrophobicContact CD1-CZ 4.34Å; L60-L136 HydrophobicContact CD1-CB 4.07Å; L60-L136 HydrophobicContact CD1-CD1 4.03Å; L60-L136 HydrophobicContact CD2-CB 3.59Å; L60-L136 HydrophobicContact CD2-CD1 4.48Å; L60-L136 HydrophobicContact CG-CB 4.03Å; L60-L136 HydrophobicContact CG-CD1 4.04Å; L60-E137 HydrophobicContact CD2-CG 3.94Å; L60-L140 HydrophobicContact CD2-CD1 3.67Å
61P92.6Very high96.9Very high74 Ų7425 Ų2548%0.48113%0.127SC..THydrogen-bonded Turntrans-64.4135171.827.4-33.5000110.5I15 L63I15-P61 WeakPolarHBondContact CD1-O 3.44Å; P61-L63 VanDerWaalsContact C-N 3.29Å; P61-L63 PolarHBondContact O-N 3.4Å
62G94.9Very high96.6Very high14 Ų1425 Ų2514%0.14413%0.127CC..THydrogen-bonded Turntrans81.20.3179.600000115.2I15 L60 R64I15-G62 PolarHBondContact N-O 2.95Å; L60-G62 PolarHBondContact O-N 2.82Å; G62-R64 PolarHBondContact O-N 2.71Å
63L97.7Very high96.1Very high22 Ų2230.1 Ų30.112%0.11515%0.151CC..EExtended strand (participates in β ladder)trans-59.8126.6171.7-177.175000110.3I15 A17 F57 L60 P61 I66 V91I15-L63 HydrophobicContact CG2-CD1 4.17Å; I15-L63 WeakPolarHBondContact O-CA 3.34Å; A17-L63 HydrophobicContact CB-CD1 4.22Å; F57-L63 HydrophobicContact CB-CD2 4.23Å; F57-L63 WeakPolarHBondContact O-CD2 3.12Å; L60-L63 HydrophobicContact CB-CB 4.2Å; L60-L63 WeakPolarHBondContact O-CB 3.37Å; L60-L63 PolarHBondContact O-N 3.39Å; P61-L63 VanDerWaalsContact C-N 3.29Å; P61-L63 PolarHBondContact O-N 3.4Å; L63-I66 HydrophobicContact CD1-CG1 4.3Å; L63-I66 HydrophobicContact CD2-CD1 3.86Å; L63-I66 HydrophobicContact CD2-CG1 3.77Å; L63-V91 HydrophobicContact CD2-CG1 4.06Å
64R96.9Very high95.3Very high136 Ų13633.1 Ų33.151%0.51317%0.171SC..EExtended strand (participates in β ladder)trans-102.2-36.3177.5-58.3-55.4178.8-170.9-3.7112.5K14 I15 G62K14-R64 HydrophobicContact CB-CG 4.21Å; I15-R64 PolarHBondContact O-N 2.8Å; G62-R64 PolarHBondContact O-N 2.71Å
65E97.9Very high94.7Very high16 Ų1635.3 Ų35.38%0.07518%0.183CC..EExtended strand (participates in β ladder)trans-162.6145-169.4-177.6172.4-134.900111.8K16 A17 I67 R94K16-E65 WeakPolarHBondContact CA-O 3.16Å; K16-E65 HydrophobicContact CD-CB 4.12Å; K16-E65 WeakPolarHBondContact CE-OE2 3.44Å; K16-E65 HydrophobicContact CG-CB 4.13Å; K16-E65 IonicContact NZ-OE2 3.87Å; K16-E65 PolarHBondContact NZ-OE2 3.18Å; A17-E65 PolarHBondContact N-O 3.27Å; E65-I67 HydrophobicContact CG-CD1 4.28Å; E65-I67 HydrophobicContact CG-CG1 3.81Å; E65-R94 VanDerWaalsContact CD-NH2 3.34Å; E65-R94 IonicContact OE1-CZ 3.17Å; E65-R94 IonicContact OE1-NE 2.79Å; E65-R94 PolarHBondContact OE1-NE 3.35Å; E65-R94 IonicContact OE1-NH2 2.7Å; E65-R94 PolarHBondContact OE1-NH2 2.93Å; E65-R94 IonicContact OE2-NH2 3.86Å; E65-R94 PolarHBondContact OE2-NH2 3.18Å; E65-R94 VanDerWaalsContact OE2-NH2 3.17Å
66I98.7Very high94.4Very high0 Ų041.9 Ų41.90%021%0.213CC..EExtended strand (participates in β ladder)trans-113.3132.8169.1-56.2170.9000108.4A17 I19 I54 F57 L63 L68 V91 S92 V93 R94A17-I66 HydrophobicContact CB-CG1 4.27Å; A17-I66 HydrophobicContact CB-CG2 4.47Å; A17-I66 CarbonylContact O-C 3.57Å; A17-I66 WeakPolarHBondContact O-CA 3.28Å; I19-I66 HydrophobicContact CD1-CG2 3.75Å; I19-I66 HydrophobicContact CG1-CG2 4.26Å; I54-I66 HydrophobicContact CB-CD1 4.34Å; I54-I66 HydrophobicContact CG1-CG2 4.3Å; I54-I66 HydrophobicContact CG2-CD1 3.87Å; F57-I66 HydrophobicContact CB-CD1 3.7Å; F57-I66 HydrophobicContact CB-CG1 4.17Å; L63-I66 HydrophobicContact CD1-CG1 4.3Å; L63-I66 HydrophobicContact CD2-CD1 3.86Å; L63-I66 HydrophobicContact CD2-CG1 3.77Å; I66-L68 HydrophobicContact CG2-CD2 4.45Å; I66-V91 HydrophobicContact CD1-CG2 3.99Å; I66-S92 PolarHBondContact N-O 3.14Å; I66-V93 HydrophobicContact CB-CG2 4.33Å; I66-V93 CarbonylContact O-C 3.57Å; I66-V93 VanDerWaalsContact O-CA 3.27Å; I66-V93 WeakPolarHBondContact O-CA 3.38Å; I66-R94 PolarHBondContact O-N 3.13Å
67I98.5Very high94.1Very high0 Ų042.5 Ų42.50%022%0.218CC..EExtended strand (participates in β ladder)trans-122.3113.1-176.2-58.1177.8000108.2K16 A17 I18 I19 E65 R94 L96 L115K16-I67 HydrophobicContact CD-CD1 4.33Å; A17-I67 PolarHBondContact O-N 3.43Å; I18-I67 CarbonylContact C-O 3.49Å; I18-I67 VanDerWaalsContact CA-O 3.31Å; I18-I67 WeakPolarHBondContact CA-O 3.48Å; I19-I67 PolarHBondContact N-O 3.3Å; E65-I67 HydrophobicContact CG-CD1 4.28Å; E65-I67 HydrophobicContact CG-CG1 3.81Å; I67-R94 CarbonylContact C-O 3.58Å; I67-R94 WeakPolarHBondContact CA-O 3.37Å; I67-L96 HydrophobicContact CG2-CB 4.35Å; I67-L96 HydrophobicContact CG2-CD1 3.56Å; I67-L96 HydrophobicContact CG2-CG 3.66Å; I67-L115 HydrophobicContact CB-CD2 4.31Å; I67-L115 HydrophobicContact CD1-CD2 3.37Å; I67-L115 HydrophobicContact CG1-CD2 4.4Å; I67-L115 HydrophobicContact CG2-CD2 3.99Å
68L97.9Very high93.8Very high0 Ų042.7 Ų42.70%022%0.219CC..EExtended strand (participates in β ladder)trans-80.1127.3167.8-52.2-172.2000107.7I19 I21 V50 I54 I66 L78 I82 V93 R94 Y95 L96I19-L68 HydrophobicContact CB-CD2 3.8Å; I19-L68 HydrophobicContact CD1-CD2 3.73Å; I19-L68 HydrophobicContact CG1-CD2 4.19Å; I19-L68 HydrophobicContact CG2-CD2 4.41Å; I21-L68 HydrophobicContact CD1-CB 4.33Å; I21-L68 HydrophobicContact CG2-CB 4.5Å; I21-L68 HydrophobicContact CG2-CD2 4.45Å; V50-L68 HydrophobicContact CG2-CD1 4.1Å; V50-L68 HydrophobicContact CG2-CD2 3.58Å; I54-L68 HydrophobicContact CD1-CD2 4.47Å; I66-L68 HydrophobicContact CG2-CD2 4.45Å; L68-L78 HydrophobicContact CD1-CD1 4.01Å; L68-I82 HydrophobicContact CD1-CD1 4.13Å; L68-I82 HydrophobicContact CD1-CG1 3.99Å; L68-V93 HydrophobicContact CD1-CG1 4.46Å; L68-V93 HydrophobicContact CG-CG1 4.26Å; L68-R94 PolarHBondContact N-O 3.06Å; L68-Y95 HydrophobicContact CB-CD2 3.96Å; L68-Y95 CarbonylContact O-C 3.56Å; L68-Y95 WeakPolarHBondContact O-CA 3.4Å; L68-Y95 WeakPolarHBondContact O-CD2 3.49Å; L68-L96 PolarHBondContact O-N 2.9Å
69L97.2Very high93.7Very high3 Ų345.3 Ų45.32%0.01623%0.231CC..EExtended strand (participates in β ladder)trans-126.1126.3-178-169.2152.5000109.7I18 I19 L20 I21 E98 F111I18-L69 HydrophobicContact CG2-CB 4.23Å; I18-L69 HydrophobicContact CG2-CD1 4.41Å; I19-L69 PolarHBondContact O-N 2.8Å; L20-L69 CarbonylContact C-O 3.25Å; L20-L69 WeakPolarHBondContact CA-O 3.45Å; L20-L69 HydrophobicContact CD2-CB 4.14Å; L20-L69 HydrophobicContact CD2-CD2 3.93Å; L20-L69 HydrophobicContact CD2-CG 4.47Å; I21-L69 WeakPolarHBondContact CG1-O 3.15Å; I21-L69 PolarHBondContact N-O 3.39Å; L69-E98 HydrophobicContact CD2-CG 4.08Å; L69-E98 WeakPolarHBondContact CD2-OE1 3.35Å; L69-F111 HydrophobicContact CD1-CD2 3.94Å; L69-F111 HydrophobicContact CG-CD2 4.4Å
70G95.1Very high93.7Very high0 Ų045.5 Ų45.50%023%0.234CC..EExtended strand (participates in β ladder)trans174.9-170.6179.200000112.3G22 Y95 L96 Q97 E98G22-G70 CarbonylContact O-C 3.51Å; G22-G70 WeakPolarHBondContact O-CA 3.37Å; G70-Y95 PolarHBondContact O-OH 3.33Å; G70-L96 PolarHBondContact N-O 3.11Å; G70-Q97 CarbonylContact O-C 3.51Å; G70-Q97 VanDerWaalsContact O-CA 3.28Å; G70-Q97 WeakPolarHBondContact O-CA 3.4Å; G70-E98 WeakPolarHBondContact CA-OE1 3.24Å; G70-E98 PolarHBondContact O-N 3.11Å
71F91.8Very high93.6Very high28 Ų2845.8 Ų45.812%0.12324%0.235CC..  trans-126.636.5-171.550.8-83.4000112.5G22 G23 P24 K26 Y95 E98G22-F71 PolarHBondContact O-N 3.46Å; G23-F71 VanDerWaalsContact CA-CD2 3.47Å; G23-F71 VanDerWaalsContact N-CZ 3.28Å; P24-F71 WeakPolarHBondContact CD-O 3.4Å; K26-F71 HydrophobicContact CD-CZ 4.44Å; K26-F71 HydrophobicContact CG-CE2 4.41Å; K26-F71 HydrophobicContact CG-CZ 3.68Å; F71-Y95 PolarHBondContact N-OH 3.31Å; F71-E98 WeakPolarHBondContact CA-O 3.43Å; F71-E98 HydrophobicContact CB-CB 4.14Å; F71-E98 WeakPolarHBondContact CB-O 3.36Å
72Y90.6Very high93.8Very high14 Ų1443 Ų436%0.05522%0.216CC..PPolyproline II helixtrans-75.4144.2163.2-68.7-78.5000109.3I21 G22 G23 P24 P38 P40 Y95 Q97I21-Y72 HydrophobicContact CD1-CD2 3.9Å; I21-Y72 HydrophobicContact CD1-CE2 4.3Å; I21-Y72 HydrophobicContact CG1-CD2 4.27Å; I21-Y72 HydrophobicContact CG1-CE2 4.36Å; I21-Y72 WeakPolarHBondContact O-CE2 3.44Å; G22-Y72 WeakPolarHBondContact O-CD2 3.39Å; G22-Y72 WeakPolarHBondContact O-CE2 3.39Å; G23-Y72 VanDerWaalsContact C-CE1 3.49Å; G23-Y72 VanDerWaalsContact CA-CZ 3.42Å; P24-Y72 HydrophobicContact CB-CD1 4.4Å; P24-Y72 HydrophobicContact CB-CE1 4.33Å; P24-Y72 HydrophobicContact CG-CD1 4.49Å; P38-Y72 HydrophobicContact CB-CD1 3.97Å; P38-Y72 HydrophobicContact CB-CE1 3.61Å; P38-Y72 HydrophobicContact CB-CE2 4.4Å; P38-Y72 HydrophobicContact CG-CD1 4.03Å; P38-Y72 HydrophobicContact CG-CE1 4.1Å; P40-Y72 WeakPolarHBondContact CD-OH 3.25Å; P40-Y72 HydrophobicContact CG-CE2 3.97Å; Y72-Y95 PolarHBondContact N-OH 3.43Å; Y72-Y95 PolarHBondContact O-OH 3.25Å; Y72-Q97 PolarHBondContact O-NE2 3.46Å
73Q88.9Confident93.9Very high133 Ų13345.7 Ų45.762%0.62123%0.232SC*.PPolyproline II helixtrans-64.9135.6164-67-60.7-26.700108.3N75 Q97Q73-N75 PolarHBondContact O-N 2.81Å; Q73-N75 PolarHBondContact O-ND2 3.23Å; Q73-Q97 VanDerWaalsContact OE1-NE2 3.13Å
74P81.5Confident93.8Very high67 Ų6749.3 Ų49.344%0.43525%0.252SS..PPolyproline II helixtrans-51.7125.1174.3-26.934.7000109.1Q97P74-Q97 VanDerWaalsContact CG-OE1 3.32Å
75N85.9Confident93.8Very high46 Ų4642.8 Ų42.825%0.24623%0.228CC..  trans-134.2159.4-179.361.266.3000109.2Q73 A77 L78 N79Q73-N75 PolarHBondContact O-N 2.81Å; Q73-N75 PolarHBondContact O-ND2 3.23Å; N75-A77 VanDerWaalsContact C-N 3.27Å; N75-A77 PolarHBondContact O-N 3.28Å; N75-A77 PolarHBondContact OD1-N 3.34Å; N75-L78 PolarHBondContact O-N 2.77Å; N75-L78 WeakPolarHBondContact OD1-CB 3.19Å; N75-L78 PolarHBondContact OD1-N 3.11Å; N75-N79 PolarHBondContact O-N 3.31Å; N75-N79 VanDerWaalsContact O-N 3.09Å; N75-N79 PolarHBondContact O-ND2 2.86Å
76E90.6Very high93.7Very high152 Ų15245.5 Ų45.571%0.7124%0.24SC*.Hα-helixtrans-58.5-40-175.9-65.1-173.3171.500112.2L78 N79 Q80E76-L78 PolarHBondContact O-N 2.83Å; E76-N79 PolarHBondContact O-N 3.08Å; E76-Q80 VanDerWaalsContact O-CB 3.3Å; E76-Q80 WeakPolarHBondContact O-CB 3.45Å; E76-Q80 VanDerWaalsContact O-CG 3.25Å; E76-Q80 WeakPolarHBondContact O-CG 3.05Å; E76-Q80 PolarHBondContact O-N 3.03Å
77A91.7Very high93.6Very high39 Ų3953.1 Ų53.132%0.32228%0.275SS..Hα-helixtrans-63-43.5-178.300000112.6L37 L41 N75 L81L37-A77 HydrophobicContact CD1-CB 4.15Å; L41-A77 HydrophobicContact CD1-CB 3.75Å; N75-A77 VanDerWaalsContact C-N 3.27Å; N75-A77 PolarHBondContact O-N 3.28Å; N75-A77 PolarHBondContact OD1-N 3.34Å; A77-L81 WeakPolarHBondContact O-CB 3.3Å; A77-L81 PolarHBondContact O-N 3.19Å
78L93.2Very high93.5Very high5 Ų558.1 Ų58.13%0.02630%0.299CS..Hα-helixtrans-67.6-43.2176.4-176.761.1000111.3I21 L41 L68 N75 E76 L81 I82 Y95I21-L78 HydrophobicContact CD1-CD2 4.34Å; L41-L78 HydrophobicContact CD1-CB 4.23Å; L41-L78 HydrophobicContact CD2-CD1 4.04Å; L68-L78 HydrophobicContact CD1-CD1 4.01Å; N75-L78 PolarHBondContact O-N 2.77Å; N75-L78 WeakPolarHBondContact OD1-CB 3.19Å; N75-L78 PolarHBondContact OD1-N 3.11Å; E76-L78 PolarHBondContact O-N 2.83Å; L78-L81 PolarHBondContact O-N 3.19Å; L78-I82 HydrophobicContact CD1-CD1 4.27Å; L78-I82 HydrophobicContact CG-CD1 4.03Å; L78-I82 VanDerWaalsContact O-CG1 3.29Å; L78-I82 WeakPolarHBondContact O-CG1 3.36Å; L78-I82 PolarHBondContact O-N 2.8Å; L78-Y95 HydrophobicContact CD2-CD1 3.79Å; L78-Y95 HydrophobicContact CD2-CD2 4.19Å; L78-Y95 HydrophobicContact CD2-CE1 3.96Å; L78-Y95 HydrophobicContact CD2-CE2 4.4Å; L78-Y95 HydrophobicContact CD2-CG 3.92Å
79N94.5Very high93.5Very high83 Ų8359.6 Ų59.644%0.44431%0.305SS..Hα-helixtrans-64.9-41.5179.2-70.9-21.5000112N75 E76 I82 S83N75-N79 PolarHBondContact O-N 3.31Å; N75-N79 VanDerWaalsContact O-N 3.09Å; N75-N79 PolarHBondContact O-ND2 2.86Å; E76-N79 PolarHBondContact O-N 3.08Å; N79-I82 PolarHBondContact O-N 3.47Å; N79-S83 WeakPolarHBondContact O-CB 3.39Å; N79-S83 PolarHBondContact O-N 2.98Å
80Q95.2Very high93.4Very high115 Ų11568.4 Ų68.454%0.53734%0.343SS..Hα-helixtrans-63.5-45174.7-76.1177.56.800111.3E76 I82 S83 N84E76-Q80 VanDerWaalsContact O-CB 3.3Å; E76-Q80 WeakPolarHBondContact O-CB 3.45Å; E76-Q80 VanDerWaalsContact O-CG 3.25Å; E76-Q80 WeakPolarHBondContact O-CG 3.05Å; E76-Q80 PolarHBondContact O-N 3.03Å; Q80-I82 VanDerWaalsContact C-N 3.32Å; Q80-I82 PolarHBondContact O-N 3Å; Q80-S83 PolarHBondContact O-N 3.28Å; Q80-N84 WeakPolarHBondContact O-CB 3.48Å; Q80-N84 PolarHBondContact O-N 3.17Å; Q80-N84 PolarHBondContact O-ND2 2.79Å; Q80-N84 PolarHBondContact O-OD1 2.73Å
81L95.4Very high93.4Very high15 Ų1569.5 Ų69.58%0.07935%0.35CS..Hα-helixtrans-57.1-47.9175.6-179.1152000111.2L41 P48 V50 I54 A77 L78 N84 A85L41-L81 HydrophobicContact CD2-CB 4.31Å; L41-L81 HydrophobicContact CD2-CD1 3.44Å; L41-L81 VanDerWaalsContact CD2-CD1 3.44Å; L41-L81 HydrophobicContact CD2-CG 4.4Å; P48-L81 HydrophobicContact CB-CD1 3.54Å; P48-L81 HydrophobicContact CG-CD1 3.7Å; V50-L81 HydrophobicContact CG1-CD1 3.43Å; V50-L81 VanDerWaalsContact CG1-CD1 3.43Å; V50-L81 HydrophobicContact CG1-CD2 3.8Å; V50-L81 HydrophobicContact CG1-CG 4.33Å; I54-L81 HydrophobicContact CD1-CD2 3.74Å; A77-L81 WeakPolarHBondContact O-CB 3.3Å; A77-L81 PolarHBondContact O-N 3.19Å; L78-L81 PolarHBondContact O-N 3.19Å; L81-N84 PolarHBondContact O-N 2.79Å; L81-A85 VanDerWaalsContact O-CB 3.23Å; L81-A85 WeakPolarHBondContact O-CB 3.37Å; L81-A85 PolarHBondContact O-N 2.82Å
82I96.5Very high93.6Very high16 Ų1670.4 Ų70.48%0.08236%0.36CS..Hα-helixtrans-59.4-51.3178.9-71.7167.4000110L68 L78 N79 Q80 N84 A85 Q86 V93L68-I82 HydrophobicContact CD1-CD1 4.13Å; L68-I82 HydrophobicContact CD1-CG1 3.99Å; L78-I82 HydrophobicContact CD1-CD1 4.27Å; L78-I82 HydrophobicContact CG-CD1 4.03Å; L78-I82 VanDerWaalsContact O-CG1 3.29Å; L78-I82 WeakPolarHBondContact O-CG1 3.36Å; L78-I82 PolarHBondContact O-N 2.8Å; N79-I82 PolarHBondContact O-N 3.47Å; Q80-I82 VanDerWaalsContact C-N 3.32Å; Q80-I82 PolarHBondContact O-N 3Å; I82-N84 PolarHBondContact O-N 2.62Å; I82-A85 PolarHBondContact O-N 3.04Å; I82-Q86 HydrophobicContact CG2-CG 4.39Å; I82-Q86 VanDerWaalsContact O-CG 3.3Å; I82-Q86 WeakPolarHBondContact O-CG 3.33Å; I82-Q86 PolarHBondContact O-N 2.77Å; I82-V93 HydrophobicContact CG1-CG1 4.21Å; I82-V93 HydrophobicContact CG2-CB 4.14Å; I82-V93 HydrophobicContact CG2-CG1 4.21Å; I82-V93 WeakPolarHBondContact CG2-O 3.45Å
83S96.2Very high94Very high69 Ų6969.9 Ų69.948%0.48336%0.358SS..Hα-helixtrans-57.8-46.4-179.9-173.30000112.2N79 Q80 Q86 H87N79-S83 WeakPolarHBondContact O-CB 3.39Å; N79-S83 PolarHBondContact O-N 2.98Å; Q80-S83 PolarHBondContact O-N 3.28Å; S83-Q86 PolarHBondContact O-N 3.23Å; S83-H87 PolarHBondContact O-N 3.43Å; S83-H87 VanDerWaalsContact O-N 3.11Å
84N95.8Very high94.3Very high98 Ų9867.2 Ų67.252%0.52434%0.342SS..Hα-helixtrans-64.8-45.7179.8-67.7-7.4000111.2Q80 L81 I82 Q86 H87 E88Q80-N84 WeakPolarHBondContact O-CB 3.48Å; Q80-N84 PolarHBondContact O-N 3.17Å; Q80-N84 PolarHBondContact O-ND2 2.79Å; Q80-N84 PolarHBondContact O-OD1 2.73Å; L81-N84 PolarHBondContact O-N 2.79Å; I82-N84 PolarHBondContact O-N 2.62Å; N84-Q86 PolarHBondContact O-N 3.24Å; N84-H87 PolarHBondContact O-N 2.79Å; N84-E88 WeakPolarHBondContact O-CB 3.41Å; N84-E88 PolarHBondContact O-N 3.34Å
85A95.9Very high95Very high0 Ų065.7 Ų65.70%033%0.328CS..Hα-helixtrans-65.2-39.1179.700000112.2I54 L81 I82 H87 F89I54-A85 HydrophobicContact CD1-CB 4.19Å; I54-A85 HydrophobicContact CG2-CB 3.93Å; L81-A85 VanDerWaalsContact O-CB 3.23Å; L81-A85 WeakPolarHBondContact O-CB 3.37Å; L81-A85 PolarHBondContact O-N 2.82Å; I82-A85 PolarHBondContact O-N 3.04Å; A85-H87 VanDerWaalsContact C-N 3.34Å; A85-H87 PolarHBondContact O-N 3.07Å; A85-F89 HydrophobicContact CB-CD2 4.09Å; A85-F89 HydrophobicContact CB-CE2 4.35Å; A85-F89 WeakPolarHBondContact O-CB 3.37Å; A85-F89 WeakPolarHBondContact O-CD2 3.33Å; A85-F89 PolarHBondContact O-N 3.18Å
86Q96.9Very high95.5Very high73 Ų7364.1 Ų64.134%0.34132%0.32SS..Hα-helixtrans-61.3-43.5173.9-71-168.7147.700111.9I82 S83 N84 K90 V91 V93I82-Q86 HydrophobicContact CG2-CG 4.39Å; I82-Q86 VanDerWaalsContact O-CG 3.3Å; I82-Q86 WeakPolarHBondContact O-CG 3.33Å; I82-Q86 PolarHBondContact O-N 2.77Å; S83-Q86 PolarHBondContact O-N 3.23Å; N84-Q86 PolarHBondContact O-N 3.24Å; Q86-K90 WeakPolarHBondContact O-CA 3.32Å; Q86-K90 PolarHBondContact O-N 3.07Å; Q86-V91 WeakPolarHBondContact CA-O 3.19Å; Q86-V91 WeakPolarHBondContact CG-O 3.22Å; Q86-V93 HydrophobicContact CG-CB 3.72Å; Q86-V93 HydrophobicContact CG-CG2 3.88Å; Q86-V93 PolarHBondContact OE1-O 3.07Å
87H96.4Very high95.8Very high159 Ų15958.6 Ų58.674%0.73629%0.294SS*.Hα-helixtrans-68.1-46.3180177.8-90000111.8S83 N84 A85S83-H87 PolarHBondContact O-N 3.43Å; S83-H87 VanDerWaalsContact O-N 3.11Å; N84-H87 PolarHBondContact O-N 2.79Å; A85-H87 VanDerWaalsContact C-N 3.34Å; A85-H87 PolarHBondContact O-N 3.07Å
88E96.7Very high95.8Very high105 Ų10557.2 Ų57.249%0.49128%0.281SS..Hα-helixtrans-68.8-48.4-176.9-175.2165.116200112.3Y51 N84Y51-E88 PolarHBondContact OH-OE1 3.38Å; Y51-E88 PolarHBondContact OH-OE2 3.02Å; N84-E88 WeakPolarHBondContact O-CB 3.41Å; N84-E88 PolarHBondContact O-N 3.34Å
89F96.7Very high95.5Very high32 Ų3265.6 Ų65.614%0.1432%0.317CS..Hα-helixtrans-93.4-5.9-175-59.2-57.6000113.9Y51 I54 E55 A85 V91Y51-F89 HydrophobicContact CD2-CE2 4.32Å; Y51-F89 HydrophobicContact CE1-CE2 4.05Å; Y51-F89 AromaticContact CE1-CZ 3.66Å; Y51-F89 HydrophobicContact CE1-CZ 3.66Å; Y51-F89 AromaticContact CE2-CE2 3.72Å; Y51-F89 HydrophobicContact CE2-CE2 3.72Å; Y51-F89 HydrophobicContact CE2-CZ 4.06Å; Y51-F89 AromaticContact CZ-CE2 3.56Å; Y51-F89 AromaticContact CZ-CZ 3.39Å; Y51-F89 VanDerWaalsContact OH-CZ 3.27Å; Y51-F89 WeakPolarHBondContact OH-CZ 3.4Å; I54-F89 HydrophobicContact CG2-CD2 3.81Å; I54-F89 HydrophobicContact CG2-CE2 4.24Å; E55-F89 HydrophobicContact CB-CE1 3.85Å; E55-F89 HydrophobicContact CB-CE2 4Å; E55-F89 HydrophobicContact CB-CZ 3.45Å; E55-F89 VanDerWaalsContact CB-CZ 3.45Å; E55-F89 HydrophobicContact CG-CE1 3.65Å; E55-F89 HydrophobicContact CG-CZ 3.73Å; E55-F89 WeakPolarHBondContact OE1-CE1 3.4Å; A85-F89 HydrophobicContact CB-CD2 4.09Å; A85-F89 HydrophobicContact CB-CE2 4.35Å; A85-F89 WeakPolarHBondContact O-CB 3.37Å; A85-F89 WeakPolarHBondContact O-CD2 3.33Å; A85-F89 PolarHBondContact O-N 3.18Å; F89-V91 HydrophobicContact CB-CG2 3.91Å; F89-V91 PolarHBondContact O-N 3.38Å
90K95.5Very high95.1Very high188 Ų18865.7 Ų65.782%0.81732%0.321SS*.  trans54.634.7-179.7-55.2179-177.9176.60113.3Q86Q86-K90 WeakPolarHBondContact O-CA 3.32Å; Q86-K90 PolarHBondContact O-N 3.07Å
91V95.3Very high94.7Very high22 Ų2262.4 Ų62.413%0.13331%0.31CS..  trans-117.2148.1176.6-64.90000110.6I54 L63 I66 Q86 F89 V93I54-V91 HydrophobicContact CG2-CG2 4.5Å; L63-V91 HydrophobicContact CD2-CG1 4.06Å; I66-V91 HydrophobicContact CD1-CG2 3.99Å; Q86-V91 WeakPolarHBondContact CA-O 3.19Å; Q86-V91 WeakPolarHBondContact CG-O 3.22Å; F89-V91 HydrophobicContact CB-CG2 3.91Å; F89-V91 PolarHBondContact O-N 3.38Å; V91-V93 HydrophobicContact CG2-CG2 3.95Å; V91-V93 PolarHBondContact O-N 2.85Å
92S96.9Very high94.4Very high48 Ų4862.6 Ų62.634%0.33631%0.312SS..EExtended strand (participates in β ladder)trans-70.2126.9172.4-177.90000109.8I66I66-S92 PolarHBondContact N-O 3.14Å
93V98.1Very high94.1Very high2 Ų262.4 Ų62.41%0.01231%0.313CS..EExtended strand (participates in β ladder)trans-129.4116.9177.1-173.10000109I54 I66 L68 I82 Q86 V91I54-V93 HydrophobicContact CD1-CG1 4.12Å; I54-V93 HydrophobicContact CG2-CG2 4.15Å; I66-V93 HydrophobicContact CB-CG2 4.33Å; I66-V93 CarbonylContact O-C 3.57Å; I66-V93 VanDerWaalsContact O-CA 3.27Å; I66-V93 WeakPolarHBondContact O-CA 3.38Å; L68-V93 HydrophobicContact CD1-CG1 4.46Å; L68-V93 HydrophobicContact CG-CG1 4.26Å; I82-V93 HydrophobicContact CG1-CG1 4.21Å; I82-V93 HydrophobicContact CG2-CB 4.14Å; I82-V93 HydrophobicContact CG2-CG1 4.21Å; I82-V93 WeakPolarHBondContact CG2-O 3.45Å; Q86-V93 HydrophobicContact CG-CB 3.72Å; Q86-V93 HydrophobicContact CG-CG2 3.88Å; Q86-V93 PolarHBondContact OE1-O 3.07Å; V91-V93 HydrophobicContact CG2-CG2 3.95Å; V91-V93 PolarHBondContact O-N 2.85Å
94R96.1Very high93.9Very high78 Ų7860.5 Ų60.529%0.29430%0.299SS..EExtended strand (participates in β ladder)trans-119.3148.3177.5-70.9-167.3-64144.33.6111.9E65 I66 I67 L68E65-R94 VanDerWaalsContact CD-NH2 3.34Å; E65-R94 IonicContact OE1-CZ 3.17Å; E65-R94 IonicContact OE1-NE 2.79Å; E65-R94 PolarHBondContact OE1-NE 3.35Å; E65-R94 IonicContact OE1-NH2 2.7Å; E65-R94 PolarHBondContact OE1-NH2 2.93Å; E65-R94 IonicContact OE2-NH2 3.86Å; E65-R94 PolarHBondContact OE2-NH2 3.18Å; E65-R94 VanDerWaalsContact OE2-NH2 3.17Å; I66-R94 PolarHBondContact O-N 3.13Å; I67-R94 CarbonylContact C-O 3.58Å; I67-R94 WeakPolarHBondContact CA-O 3.37Å; L68-R94 PolarHBondContact N-O 3.06Å
95Y96.5Very high93.9Very high34 Ų3455.9 Ų55.913%0.13327%0.274CS..EExtended strand (participates in β ladder)trans-101.7123.3167.5178.1-129.4000110.2I21 L68 G70 F71 Y72 L78 Q97I21-Y95 HydrophobicContact CD1-CD2 4.09Å; I21-Y95 HydrophobicContact CD1-CE2 3.75Å; I21-Y95 HydrophobicContact CG1-CE2 4.34Å; L68-Y95 HydrophobicContact CB-CD2 3.96Å; L68-Y95 CarbonylContact O-C 3.56Å; L68-Y95 WeakPolarHBondContact O-CA 3.4Å; L68-Y95 WeakPolarHBondContact O-CD2 3.49Å; G70-Y95 PolarHBondContact O-OH 3.33Å; F71-Y95 PolarHBondContact N-OH 3.31Å; Y72-Y95 PolarHBondContact N-OH 3.43Å; Y72-Y95 PolarHBondContact O-OH 3.25Å; L78-Y95 HydrophobicContact CD2-CD1 3.79Å; L78-Y95 HydrophobicContact CD2-CD2 4.19Å; L78-Y95 HydrophobicContact CD2-CE1 3.96Å; L78-Y95 HydrophobicContact CD2-CE2 4.4Å; L78-Y95 HydrophobicContact CD2-CG 3.92Å; Y95-Q97 HydrophobicContact CD1-CB 4.45Å; Y95-Q97 HydrophobicContact CE1-CB 3.76Å; Y95-Q97 HydrophobicContact CE1-CG 4.22Å
96L96.2Very high93.8Very high13 Ų1356.1 Ų56.17%0.06828%0.276CS..EExtended strand (participates in β ladder)trans-104.6110.8170.5-58.8-174.6000108.7I67 L68 G70 F111 Q114 L115I67-L96 HydrophobicContact CG2-CB 4.35Å; I67-L96 HydrophobicContact CG2-CD1 3.56Å; I67-L96 HydrophobicContact CG2-CG 3.66Å; L68-L96 PolarHBondContact O-N 2.9Å; G70-L96 PolarHBondContact N-O 3.11Å; L96-F111 HydrophobicContact CB-CD1 4.27Å; L96-F111 HydrophobicContact CB-CD2 4Å; L96-F111 HydrophobicContact CB-CE1 4.32Å; L96-F111 HydrophobicContact CB-CE2 4.05Å; L96-F111 HydrophobicContact CB-CG 4.12Å; L96-F111 HydrophobicContact CB-CZ 4.22Å; L96-F111 HydrophobicContact CD1-CB 3.7Å; L96-F111 HydrophobicContact CD1-CD1 4Å; L96-F111 HydrophobicContact CD1-CD2 4.34Å; L96-F111 HydrophobicContact CD1-CG 3.75Å; L96-Q114 HydrophobicContact CD1-CB 4.28Å; L96-L115 HydrophobicContact CD1-CD2 4.17Å
97Q95.4Very high93.6Very high36 Ų3652.6 Ų52.617%0.16826%0.26CS..EExtended strand (participates in β ladder)trans-85.3118.3-178.6-176.8-175.93.200111.2G70 Y72 Q73 P74 Y95 F111G70-Q97 CarbonylContact O-C 3.51Å; G70-Q97 VanDerWaalsContact O-CA 3.28Å; G70-Q97 WeakPolarHBondContact O-CA 3.4Å; Y72-Q97 PolarHBondContact O-NE2 3.46Å; Q73-Q97 VanDerWaalsContact OE1-NE2 3.13Å; P74-Q97 VanDerWaalsContact CG-OE1 3.32Å; Y95-Q97 HydrophobicContact CD1-CB 4.45Å; Y95-Q97 HydrophobicContact CE1-CB 3.76Å; Y95-Q97 HydrophobicContact CE1-CG 4.22Å; Q97-F111 WeakPolarHBondContact O-CZ 3.37Å
98E91.9Very high93.6Very high10 Ų1045.2 Ų45.25%0.04723%0.226CC..  trans-77.1131.2160.8-52.4164.6-103.500109.3L69 G70 F71 T100 L102 F111L69-E98 HydrophobicContact CD2-CG 4.08Å; L69-E98 WeakPolarHBondContact CD2-OE1 3.35Å; G70-E98 WeakPolarHBondContact CA-OE1 3.24Å; G70-E98 PolarHBondContact O-N 3.11Å; F71-E98 WeakPolarHBondContact CA-O 3.43Å; F71-E98 HydrophobicContact CB-CB 4.14Å; F71-E98 WeakPolarHBondContact CB-O 3.36Å; E98-T100 VanDerWaalsContact C-N 3.29Å; E98-T100 WeakPolarHBondContact CB-O 3.32Å; E98-L102 WeakPolarHBondContact OE2-CB 3.43Å; E98-L102 PolarHBondContact OE2-N 2.84Å; E98-F111 HydrophobicContact CG-CE2 3.98Å
99F86.9Confident93.6Very high182 Ų18241.4 Ų41.480%0.79821%0.207SC*.SBendtrans-73.7-24.3175.6-68-77.7000112.7
100T86.7Confident93.5Very high85 Ų8545.2 Ų45.252%0.52123%0.225SC..SBendtrans-134.1163.917758.80000109.5E98 L102E98-T100 VanDerWaalsContact C-N 3.29Å; E98-T100 WeakPolarHBondContact CB-O 3.32Å; T100-L102 PolarHBondContact O-N 2.83Å; T100-L102 WeakPolarHBondContact OG1-CD2 3.47Å
101S86.4Confident93.5Very high45 Ų4537.6 Ų37.632%0.31519%0.193SC..  trans-78.4103.1176.1-1680000110.4G103 T231S101-G103 VanDerWaalsContact C-N 3.32Å; S101-T231 PolarHBondContact O-OG1 3.08Å
102L89.3Confident93.6Very high20 Ų2040.1 Ų40.111%0.10520%0.2CC..  trans-90.72.6179.4-56.9175000112.8E98 T100 G106 Q110 T231 I232E98-L102 WeakPolarHBondContact OE2-CB 3.43Å; E98-L102 PolarHBondContact OE2-N 2.84Å; T100-L102 PolarHBondContact O-N 2.83Å; T100-L102 WeakPolarHBondContact OG1-CD2 3.47Å; L102-G106 VanDerWaalsContact O-CA 3.23Å; L102-G106 WeakPolarHBondContact O-CA 3.44Å; L102-G106 PolarHBondContact O-N 3.02Å; L102-Q110 HydrophobicContact CD1-CB 3.79Å; L102-Q110 HydrophobicContact CD1-CG 3.96Å; L102-T231 WeakPolarHBondContact O-CA 3.45Å; L102-I232 PolarHBondContact O-N 2.8Å
103G90Very high93.7Very high11 Ų1143.4 Ų43.411%0.11321%0.214CC..Hα-helixtrans82.7176.4-176.400000112.3S101 A105 G107 T231 I232S101-G103 VanDerWaalsContact C-N 3.32Å; G103-A105 VanDerWaalsContact C-N 3.34Å; G103-A105 PolarHBondContact O-N 3.4Å; G103-G107 PolarHBondContact O-N 3.5Å; G103-T231 VanDerWaalsContact CA-CG2 3.46Å; G103-I232 CarbonylContact C-O 3.57Å; G103-I232 VanDerWaalsContact C-O 3.25Å; G103-I232 WeakPolarHBondContact CA-O 3.32Å
104T92.1Very high93.7Very high30 Ų3046.9 Ų46.918%0.18423%0.229CC..Hα-helixtrans-68.3-33.3-173.243.50000112.4L20 I108 I232 H233 L234 E235L20-T104 HydrophobicContact CD1-CG2 3.92Å; T104-I108 WeakPolarHBondContact O-CD1 3.05Å; T104-I108 WeakPolarHBondContact O-CG1 3.44Å; T104-I232 PolarHBondContact N-O 3.39Å; T104-I232 VanDerWaalsContact N-O 3.11Å; T104-H233 WeakPolarHBondContact OG1-CA 3.37Å; T104-L234 PolarHBondContact OG1-N 3.17Å; T104-E235 PolarHBondContact OG1-OE2 3.45Å; T104-E235 VanDerWaalsContact OG1-OE2 3.11Å
105A95.3Very high93.7Very high0 Ų043.1 Ų43.10%022%0.215CC..Hα-helixtrans-95.5-30.9176.800000113.3G103 G107 I108 Y109 I209 I232 L234 I238G103-A105 VanDerWaalsContact C-N 3.34Å; G103-A105 PolarHBondContact O-N 3.4Å; A105-G107 PolarHBondContact O-N 2.91Å; A105-I108 WeakPolarHBondContact O-CB 3.4Å; A105-I108 PolarHBondContact O-N 2.82Å; A105-Y109 PolarHBondContact O-N 3.22Å; A105-I209 HydrophobicContact CB-CG2 4.28Å; A105-I232 HydrophobicContact CB-CB 4.25Å; A105-I232 HydrophobicContact CB-CG2 3.83Å; A105-I232 PolarHBondContact N-O 3.03Å; A105-L234 HydrophobicContact CB-CB 4.28Å; A105-L234 HydrophobicContact CB-CD1 4.4Å; A105-I238 HydrophobicContact CB-CG1 3.9Å
106G93.5Very high93.8Very high5 Ų544.1 Ų44.15%0.05222%0.223CC..Hα-helixtrans-65.2-40.4-179.100000112.5L102 I108 Y109 Q110 I232L102-G106 VanDerWaalsContact O-CA 3.23Å; L102-G106 WeakPolarHBondContact O-CA 3.44Å; L102-G106 PolarHBondContact O-N 3.02Å; G106-I108 VanDerWaalsContact C-N 3.34Å; G106-I108 PolarHBondContact O-N 2.85Å; G106-Y109 PolarHBondContact O-N 2.81Å; G106-Q110 WeakPolarHBondContact O-CB 3.13Å; G106-Q110 PolarHBondContact O-N 3.38Å; G106-I232 PolarHBondContact N-O 3.08Å
107G92.9Very high93.9Very high0 Ų046 Ų460%024%0.237CC..Hα-helixtrans-61.4-42.2173.200000112.4G103 A105 Y109 Q110 F111G103-G107 PolarHBondContact O-N 3.5Å; A105-G107 PolarHBondContact O-N 2.91Å; G107-Y109 VanDerWaalsContact C-N 3.32Å; G107-Y109 PolarHBondContact O-N 2.88Å; G107-Q110 PolarHBondContact O-N 2.86Å; G107-F111 WeakPolarHBondContact O-CD2 3.4Å; G107-F111 PolarHBondContact O-N 2.99Å
108I96.6Very high93.9Very high4 Ų447.1 Ų47.12%0.02126%0.258CS..Hα-helixtrans-58.8-45.6174.4-65.4172.5000110.2L20 T104 A105 G106 F111 R112 L115 V125 F206 I209L20-I108 HydrophobicContact CD1-CD1 4.48Å; L20-I108 HydrophobicContact CD2-CD1 4.27Å; L20-I108 HydrophobicContact CD2-CG1 4.12Å; T104-I108 WeakPolarHBondContact O-CD1 3.05Å; T104-I108 WeakPolarHBondContact O-CG1 3.44Å; A105-I108 WeakPolarHBondContact O-CB 3.4Å; A105-I108 PolarHBondContact O-N 2.82Å; G106-I108 VanDerWaalsContact C-N 3.34Å; G106-I108 PolarHBondContact O-N 2.85Å; I108-F111 PolarHBondContact O-N 2.8Å; I108-R112 PolarHBondContact O-N 3.39Å; I108-R112 VanDerWaalsContact O-N 3.13Å; I108-L115 HydrophobicContact CB-CD1 4.34Å; I108-L115 HydrophobicContact CG2-CD1 3.81Å; I108-L115 WeakPolarHBondContact O-CD1 3.18Å; I108-V125 HydrophobicContact CD1-CG1 3.7Å; I108-V125 HydrophobicContact CD1-CG2 4.27Å; I108-F206 HydrophobicContact CG2-CD1 4.49Å; I108-F206 HydrophobicContact CG2-CE1 3.62Å; I108-F206 HydrophobicContact CG2-CZ 4Å; I108-I209 HydrophobicContact CB-CD1 4.48Å; I108-I209 HydrophobicContact CG2-CD1 3.8Å
109Y96.4Very high94.1Very high25 Ų2550.8 Ų50.810%0.09829%0.285CS..Hα-helixtrans-65.5-41.8179.6-165.6-115.6000113.5A105 G106 G107 F111 R112 I209 R210 F213A105-Y109 PolarHBondContact O-N 3.22Å; G106-Y109 PolarHBondContact O-N 2.81Å; G107-Y109 VanDerWaalsContact C-N 3.32Å; G107-Y109 PolarHBondContact O-N 2.88Å; Y109-F111 PolarHBondContact O-N 2.83Å; Y109-R112 WeakPolarHBondContact O-CB 3.42Å; Y109-R112 WeakPolarHBondContact O-CD 3.33Å; Y109-R112 VanDerWaalsContact O-CG 3.25Å; Y109-R112 WeakPolarHBondContact O-CG 3.4Å; Y109-R112 PolarHBondContact O-N 3.19Å; Y109-R112 PolarHBondContact O-NH1 2.8Å; Y109-I209 HydrophobicContact CD2-CB 4.16Å; Y109-I209 HydrophobicContact CD2-CG2 3.79Å; Y109-I209 HydrophobicContact CG-CG2 3.9Å; Y109-R210 HydrophobicContact CE2-CB 3.71Å; Y109-R210 HydrophobicContact CE2-CG 4.42Å; Y109-R210 WeakPolarHBondContact OH-CG 3.39Å; Y109-F213 HydrophobicContact CD1-CB 4.11Å; Y109-F213 HydrophobicContact CD1-CD1 4.28Å; Y109-F213 AromaticContact CD1-CD2 3.71Å; Y109-F213 HydrophobicContact CD1-CD2 3.71Å; Y109-F213 HydrophobicContact CD1-CE2 4.17Å; Y109-F213 AromaticContact CD1-CG 3.77Å; Y109-F213 HydrophobicContact CD1-CG 3.77Å; Y109-F213 HydrophobicContact CE1-CB 4.03Å; Y109-F213 AromaticContact CE1-CD1 3.66Å; Y109-F213 HydrophobicContact CE1-CD1 3.66Å; Y109-F213 AromaticContact CE1-CD2 3.95Å; Y109-F213 HydrophobicContact CE1-CD2 3.95Å; Y109-F213 HydrophobicContact CE1-CE1 4.04Å; Y109-F213 HydrophobicContact CE1-CE2 4.32Å; Y109-F213 AromaticContact CE1-CG 3.6Å; Y109-F213 HydrophobicContact CE1-CG 3.6Å; Y109-F213 HydrophobicContact CE1-CZ 4.35Å
110Q95Very high94.6Very high111 Ų11142.5 Ų42.552%0.51925%0.249SC..Hα-helixtrans-57.4-40.7179.2178.463.47.500111.2L102 G106 G107L102-Q110 HydrophobicContact CD1-CB 3.79Å; L102-Q110 HydrophobicContact CD1-CG 3.96Å; G106-Q110 WeakPolarHBondContact O-CB 3.13Å; G106-Q110 PolarHBondContact O-N 3.38Å; G107-Q110 PolarHBondContact O-N 2.86Å
111F96.8Very high95.1Very high29 Ų2942.2 Ų42.213%0.12724%0.244CC..THydrogen-bonded Turntrans-97.810.1-177.6-66.9-65.1000114.6L69 L96 Q97 E98 G107 I108 Y109 D113 Q114 L115L69-F111 HydrophobicContact CD1-CD2 3.94Å; L69-F111 HydrophobicContact CG-CD2 4.4Å; L96-F111 HydrophobicContact CB-CD1 4.27Å; L96-F111 HydrophobicContact CB-CD2 4Å; L96-F111 HydrophobicContact CB-CE1 4.32Å; L96-F111 HydrophobicContact CB-CE2 4.05Å; L96-F111 HydrophobicContact CB-CG 4.12Å; L96-F111 HydrophobicContact CB-CZ 4.22Å; L96-F111 HydrophobicContact CD1-CB 3.7Å; L96-F111 HydrophobicContact CD1-CD1 4Å; L96-F111 HydrophobicContact CD1-CD2 4.34Å; L96-F111 HydrophobicContact CD1-CG 3.75Å; Q97-F111 WeakPolarHBondContact O-CZ 3.37Å; E98-F111 HydrophobicContact CG-CE2 3.98Å; G107-F111 WeakPolarHBondContact O-CD2 3.4Å; G107-F111 PolarHBondContact O-N 2.99Å; I108-F111 PolarHBondContact O-N 2.8Å; Y109-F111 PolarHBondContact O-N 2.83Å; F111-D113 PolarHBondContact O-N 2.63Å; F111-Q114 WeakPolarHBondContact O-CA 3.49Å; F111-Q114 WeakPolarHBondContact O-CB 3.15Å; F111-Q114 PolarHBondContact O-N 3.2Å; F111-L115 HydrophobicContact CB-CD1 4.5Å; F111-L115 HydrophobicContact CB-CG 4.25Å; F111-L115 WeakPolarHBondContact O-CG 3.19Å; F111-L115 PolarHBondContact O-N 2.8Å
112R97.6Very high95.7Very high75 Ų7540.1 Ų40.128%0.28323%0.23SC..Hα-helixtrans-45.8-42.4-173.968.1-168.4175.9-83.4-6.1114.5I108 Y109 Q114 L115 L116 F206I108-R112 PolarHBondContact O-N 3.39Å; I108-R112 VanDerWaalsContact O-N 3.13Å; Y109-R112 WeakPolarHBondContact O-CB 3.42Å; Y109-R112 WeakPolarHBondContact O-CD 3.33Å; Y109-R112 VanDerWaalsContact O-CG 3.25Å; Y109-R112 WeakPolarHBondContact O-CG 3.4Å; Y109-R112 PolarHBondContact O-N 3.19Å; Y109-R112 PolarHBondContact O-NH1 2.8Å; R112-Q114 VanDerWaalsContact C-N 3.33Å; R112-Q114 PolarHBondContact O-N 2.81Å; R112-L115 PolarHBondContact O-N 3.49Å; R112-L116 VanDerWaalsContact O-CB 3.28Å; R112-L116 WeakPolarHBondContact O-CB 3.3Å; R112-L116 VanDerWaalsContact O-CG 3.28Å; R112-L116 WeakPolarHBondContact O-CG 3.49Å; R112-L116 PolarHBondContact O-N 2.74Å; R112-F206 HydrophobicContact CB-CD1 3.48Å; R112-F206 VanDerWaalsContact CB-CD1 3.48Å; R112-F206 HydrophobicContact CB-CE1 3.33Å; R112-F206 HydrophobicContact CB-CG 4.36Å; R112-F206 HydrophobicContact CB-CZ 4.12Å
113D97.4Very high96.1Very high117 Ų11739.3 Ų39.363%0.62623%0.225SC*.Hα-helixtrans-66.3-37.6-177.8-59.9-26.6000111.3F111 S117F111-D113 PolarHBondContact O-N 2.63Å; D113-S117 PolarHBondContact O-N 2.86Å
114Q97.7Very high96.6Very high74 Ų7438.8 Ų38.835%0.34622%0.22SC..Hα-helixtrans-72.5-38.4174.7-60.4-171.24800111.4K16 L96 F111 R112 S117K16-Q114 PolarHBondContact NZ-O 2.98Å; L96-Q114 HydrophobicContact CD1-CB 4.28Å; F111-Q114 WeakPolarHBondContact O-CA 3.49Å; F111-Q114 WeakPolarHBondContact O-CB 3.15Å; F111-Q114 PolarHBondContact O-N 3.2Å; R112-Q114 VanDerWaalsContact C-N 3.33Å; R112-Q114 PolarHBondContact O-N 2.81Å; Q114-S117 WeakPolarHBondContact O-CB 3.33Å; Q114-S117 PolarHBondContact O-N 3.29Å; Q114-S117 PolarHBondContact O-OG 2.81Å
115L98Very high96.9Very high0 Ų037.5 Ų37.50%021%0.212CC..Hα-helixtrans-65.9-39.5177.4-59.7-178.3000111.2K16 I18 I67 L96 I108 F111 R112 S117 F206K16-L115 WeakPolarHBondContact CD-O 3.34Å; K16-L115 PolarHBondContact NZ-O 3.3Å; I18-L115 HydrophobicContact CD1-CD1 3.8Å; I18-L115 HydrophobicContact CD1-CD2 3.98Å; I18-L115 HydrophobicContact CD1-CG 4.32Å; I18-L115 HydrophobicContact CG1-CD2 3.96Å; I67-L115 HydrophobicContact CB-CD2 4.31Å; I67-L115 HydrophobicContact CD1-CD2 3.37Å; I67-L115 HydrophobicContact CG1-CD2 4.4Å; I67-L115 HydrophobicContact CG2-CD2 3.99Å; L96-L115 HydrophobicContact CD1-CD2 4.17Å; I108-L115 HydrophobicContact CB-CD1 4.34Å; I108-L115 HydrophobicContact CG2-CD1 3.81Å; I108-L115 WeakPolarHBondContact O-CD1 3.18Å; F111-L115 HydrophobicContact CB-CD1 4.5Å; F111-L115 HydrophobicContact CB-CG 4.25Å; F111-L115 WeakPolarHBondContact O-CG 3.19Å; F111-L115 PolarHBondContact O-N 2.8Å; R112-L115 PolarHBondContact O-N 3.49Å; L115-S117 VanDerWaalsContact C-N 3.35Å; L115-F206 HydrophobicContact CB-CZ 3.98Å; L115-F206 HydrophobicContact CD1-CE1 4.22Å; L115-F206 HydrophobicContact CD1-CZ 3.92Å
116L98.1Very high97Very high55 Ų5537.5 Ų37.529%0.28821%0.212SC..Hα-helixtrans-83.2-7.7178.9-68.2172.9000113.9R112 G118 S119 P120 P203 F206R112-L116 VanDerWaalsContact O-CB 3.28Å; R112-L116 WeakPolarHBondContact O-CB 3.3Å; R112-L116 VanDerWaalsContact O-CG 3.28Å; R112-L116 WeakPolarHBondContact O-CG 3.49Å; R112-L116 PolarHBondContact O-N 2.74Å; L116-G118 PolarHBondContact O-N 2.71Å; L116-S119 PolarHBondContact O-N 2.95Å; L116-P120 VanDerWaalsContact O-CD 3.32Å; L116-P120 WeakPolarHBondContact O-CD 3.28Å; L116-P203 HydrophobicContact CD2-CB 3.8Å; L116-P203 HydrophobicContact CD2-CG 4.31Å; L116-F206 HydrophobicContact CD1-CD2 3.83Å; L116-F206 HydrophobicContact CD1-CE2 4.02Å; L116-F206 HydrophobicContact CD1-CG 4.31Å; L116-F206 HydrophobicContact CD2-CD2 3.79Å; L116-F206 HydrophobicContact CD2-CE2 3.53Å; L116-F206 HydrophobicContact CG-CD2 3.97Å; L116-F206 HydrophobicContact CG-CE2 3.65Å; L116-F206 HydrophobicContact CG-CZ 4.25Å
117S97.5Very high97.2Very high53 Ų5338.4 Ų38.437%0.37122%0.216SC..THydrogen-bonded Turntrans-57.5136.6176.868.60000111.5K16 D113 Q114 L115 S119K16-S117 WeakPolarHBondContact CE-O 3.31Å; K16-S117 PolarHBondContact NZ-O 2.65Å; K16-S117 PolarHBondContact NZ-OG 3.45Å; D113-S117 PolarHBondContact O-N 2.86Å; Q114-S117 WeakPolarHBondContact O-CB 3.33Å; Q114-S117 PolarHBondContact O-N 3.29Å; Q114-S117 PolarHBondContact O-OG 2.81Å; L115-S117 VanDerWaalsContact C-N 3.35Å; S117-S119 VanDerWaalsContact C-N 3.26Å; S117-S119 PolarHBondContact O-N 2.96Å
118G96Very high97.3Very high58 Ų5838.6 Ų38.660%0.59822%0.217SC*.THydrogen-bonded Turntrans79.12.8-17400000115.2L116L116-G118 PolarHBondContact O-N 2.71Å
119S97Very high97.2Very high88 Ų8839.9 Ų39.962%0.61522%0.224SC*.  trans54.565.1176.1-53.10000112.6L116 S117L116-S119 PolarHBondContact O-N 2.95Å; S117-S119 VanDerWaalsContact C-N 3.26Å; S117-S119 PolarHBondContact O-N 2.96Å
120P97.4Very high97.1Very high7 Ų738.8 Ų38.85%0.04522%0.22CC..  trans-65140.8174.428.8-32.9000110.9K14 K16 L116 L123 P203K14-P120 CarbonylContact O-C 3.53Å; K14-P120 WeakPolarHBondContact O-CA 3.43Å; K16-P120 HydrophobicContact CD-CG 4.36Å; K16-P120 HydrophobicContact CG-CB 4.09Å; K16-P120 HydrophobicContact CG-CG 4.4Å; L116-P120 VanDerWaalsContact O-CD 3.32Å; L116-P120 WeakPolarHBondContact O-CD 3.28Å; P120-L123 HydrophobicContact CB-CD2 4.1Å; P120-L123 HydrophobicContact CG-CD2 3.74Å; P120-L123 HydrophobicContact CG-CG 4.45Å; P120-P203 WeakPolarHBondContact O-CG 3.35Å
121D97Very high97.1Very high79 Ų7933.9 Ų33.942%0.42220%0.198SC..SBendtrans-77.9-30.4173.6-60.1-65.3000111.3K13 K14 P203K13-D121 WeakPolarHBondContact CA-OD2 3.48Å; K13-D121 HydrophobicContact CB-CB 3.97Å; K13-D121 HydrophobicContact CD-CB 4.38Å; K13-D121 HydrophobicContact CG-CB 4.12Å; K14-D121 PolarHBondContact N-OD2 2.91Å; K14-D121 PolarHBondContact O-N 3.39Å; D121-P203 VanDerWaalsContact O-CD 3.29Å; D121-P203 WeakPolarHBondContact O-CD 3.32Å
122L98Very high97Very high2 Ų233 Ų331%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-142.5147.5-176.7-69.8175.2000112.1K13 K14 I15 K16 L140 H143 L200 F201 T202K13-L122 HydrophobicContact CD-CD1 3.62Å; K13-L122 HydrophobicContact CD-CG 4.12Å; K14-L122 PolarHBondContact O-N 3.5Å; I15-L122 WeakPolarHBondContact CA-O 3.43Å; I15-L122 HydrophobicContact CG1-CB 4.09Å; K16-L122 PolarHBondContact N-O 3.27Å; L122-L140 HydrophobicContact CD1-CD2 3.65Å; L122-H143 WeakPolarHBondContact CD2-NE2 3.43Å; L122-L200 HydrophobicContact CB-CD1 3.94Å; L122-L200 HydrophobicContact CD1-CD1 4.32Å; L122-L200 HydrophobicContact CD1-CD2 4.44Å; L122-L200 HydrophobicContact CD2-CD1 4.3Å; L122-L200 HydrophobicContact CD2-CG 4.39Å; L122-L200 HydrophobicContact CG-CD1 4.42Å; L122-F201 CarbonylContact C-O 3.49Å; L122-F201 WeakPolarHBondContact CA-O 3.33Å; L122-T202 HydrophobicContact CD2-CG2 4.27Å
123L98.7Very high97Very high2 Ų230.6 Ų30.61%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-127.3111.5179.5-63.6172.7000109.3K16 I18 P120 F201 F206K16-L123 HydrophobicContact CB-CD2 3.81Å; K16-L123 CarbonylContact O-C 3.56Å; K16-L123 WeakPolarHBondContact O-CA 3.18Å; I18-L123 HydrophobicContact CD1-CD2 4.49Å; P120-L123 HydrophobicContact CB-CD2 4.1Å; P120-L123 HydrophobicContact CG-CD2 3.74Å; P120-L123 HydrophobicContact CG-CG 4.45Å; L123-F201 PolarHBondContact N-O 2.86Å; L123-F201 PolarHBondContact O-N 2.95Å; L123-F206 HydrophobicContact CD1-CE2 3.52Å; L123-F206 HydrophobicContact CD1-CZ 4.13Å
124F98.8Very high97Very high0 Ų025.9 Ų25.90%016%0.163CC..EExtended strand (participates in β ladder)trans-75135.8161.8-83-77000109.2I15 K16 A17 I18 F57 L60 L136 M139 L140 L198 Y199 L200I15-F124 HydrophobicContact CG2-CD2 3.79Å; I15-F124 HydrophobicContact CG2-CE2 4.28Å; K16-F124 PolarHBondContact O-N 3.3Å; A17-F124 CarbonylContact C-O 3.59Å; A17-F124 WeakPolarHBondContact CA-O 3.45Å; A17-F124 HydrophobicContact CB-CB 4.18Å; I18-F124 PolarHBondContact N-O 3.07Å; F57-F124 HydrophobicContact CD1-CB 4.47Å; F57-F124 HydrophobicContact CE1-CB 3.53Å; F57-F124 HydrophobicContact CE1-CD1 4.14Å; F57-F124 HydrophobicContact CE1-CD2 4.05Å; F57-F124 AromaticContact CE1-CG 3.65Å; F57-F124 HydrophobicContact CE1-CG 3.65Å; F57-F124 HydrophobicContact CZ-CB 3.91Å; F57-F124 HydrophobicContact CZ-CG 4.39Å; L60-F124 HydrophobicContact CD1-CD2 3.77Å; L60-F124 HydrophobicContact CD1-CE2 3.48Å; L60-F124 VanDerWaalsContact CD1-CE2 3.48Å; L60-F124 HydrophobicContact CD1-CZ 4.34Å; F124-L136 HydrophobicContact CD1-CD2 4.22Å; F124-L136 HydrophobicContact CE1-CD2 3.95Å; F124-L136 HydrophobicContact CZ-CB 4.32Å; F124-L136 HydrophobicContact CZ-CD2 4.3Å; F124-M139 HydrophobicContact CE1-CB 4.31Å; F124-M139 HydrophobicContact CE1-CE 4.31Å; F124-M139 HydrophobicContact CE1-SD 4.28Å; F124-M139 HydrophobicContact CZ-CB 4.41Å; F124-L140 HydrophobicContact CE2-CD1 4.4Å; F124-L140 HydrophobicContact CE2-CD2 3.81Å; F124-L140 HydrophobicContact CE2-CG 3.99Å; F124-L140 HydrophobicContact CZ-CD2 4.06Å; F124-L140 HydrophobicContact CZ-CG 3.98Å; F124-L198 HydrophobicContact CD1-CD1 4.02Å; F124-Y199 WeakPolarHBondContact CA-O 3.3Å; F124-Y199 WeakPolarHBondContact CD1-O 3.17Å; F124-L200 HydrophobicContact CD1-CB 4.22Å; F124-L200 HydrophobicContact CD1-CD1 4Å; F124-L200 HydrophobicContact CD2-CD1 3.84Å; F124-L200 HydrophobicContact CE1-CB 4.02Å; F124-L200 HydrophobicContact CE1-CD1 3.95Å; F124-L200 HydrophobicContact CE1-CD2 4.35Å; F124-L200 HydrophobicContact CE1-CG 4.34Å; F124-L200 HydrophobicContact CE2-CD1 3.77Å; F124-L200 HydrophobicContact CG-CD1 3.95Å; F124-L200 HydrophobicContact CZ-CD1 3.84Å; F124-L200 HydrophobicContact CZ-CD2 4.1Å; F124-L200 HydrophobicContact CZ-CG 4.39Å
125V98.8Very high97Very high3 Ų322.3 Ų22.32%0.01815%0.146CC..EExtended strand (participates in β ladder)trans-127.1131.4171.6-178.80000107.5I18 L20 I108 L198 Y199 F201 L234I18-V125 HydrophobicContact CB-CG2 4.3Å; I18-V125 HydrophobicContact CD1-CG2 3.99Å; I18-V125 CarbonylContact O-C 3.56Å; I18-V125 WeakPolarHBondContact O-CA 3.22Å; L20-V125 HydrophobicContact CD1-CG1 4.01Å; L20-V125 HydrophobicContact CG-CG1 4.2Å; I108-V125 HydrophobicContact CD1-CG1 3.7Å; I108-V125 HydrophobicContact CD1-CG2 4.27Å; V125-L198 CarbonylContact O-C 2.97Å; V125-L198 WeakPolarHBondContact O-CA 3.39Å; V125-Y199 HydrophobicContact CB-CD2 4.23Å; V125-Y199 HydrophobicContact CG1-CD2 4.31Å; V125-Y199 PolarHBondContact N-O 2.81Å; V125-Y199 WeakPolarHBondContact O-CD2 3.29Å; V125-Y199 PolarHBondContact O-N 3.39Å; V125-F201 HydrophobicContact CB-CD2 4.36Å; V125-F201 HydrophobicContact CB-CE2 4.13Å; V125-F201 HydrophobicContact CG2-CD2 3.71Å; V125-F201 HydrophobicContact CG2-CE2 3.89Å; V125-L234 HydrophobicContact CG1-CD2 4.3Å
126M98.3Very high97Very high0 Ų022.7 Ų22.70%015%0.148CC..EExtended strand (participates in β ladder)trans-140.9149.8176.179.2174.5-68.300113.8I18 I19 L20 H53 F57 V130 L134 G197 L198I18-M126 PolarHBondContact O-N 2.77Å; I19-M126 HydrophobicContact CB-CG 4.3Å; I19-M126 HydrophobicContact CG1-CG 4Å; I19-M126 HydrophobicContact CG1-SD 4.26Å; I19-M126 HydrophobicContact CG2-CG 4.07Å; L20-M126 WeakPolarHBondContact CB-O 3.46Å; L20-M126 PolarHBondContact N-O 3.31Å; H53-M126 HydrophobicContact CB-CE 4.45Å; H53-M126 HydrophobicContact CB-SD 3.95Å; H53-M126 VanDerWaalsContact CE1-CE 3.4Å; H53-M126 WeakPolarHBondContact CE1-CE 3.43Å; H53-M126 WeakPolarHBondContact ND1-CE 3.23Å; F57-M126 HydrophobicContact CD2-SD 4.5Å; F57-M126 HydrophobicContact CE2-CG 4.11Å; F57-M126 HydrophobicContact CE2-SD 3.4Å; F57-M126 WeakPolarHBondContact CE2-SD 3.43Å; F57-M126 HydrophobicContact CZ-CG 4.33Å; F57-M126 HydrophobicContact CZ-SD 3.83Å; M126-V130 HydrophobicContact CE-CB 4.15Å; M126-V130 HydrophobicContact CE-CG1 4.44Å; M126-L134 HydrophobicContact CE-CD1 4.41Å; M126-L134 HydrophobicContact CE-CD2 4.22Å; M126-L134 HydrophobicContact SD-CD1 4.43Å; M126-G197 CarbonylContact C-O 3.53Å; M126-G197 VanDerWaalsContact CA-O 3.22Å; M126-G197 WeakPolarHBondContact CA-O 3.39Å; M126-L198 HydrophobicContact CB-CB 4.48Å; M126-L198 HydrophobicContact CB-CD1 3.64Å
127N97Very high96.9Very high25 Ų2525.5 Ų25.513%0.13416%0.16CC..EExtended strand (participates in β ladder)trans-73.6124.2169.2-71.7-18.8000109.6D129 V130 G197N127-D129 PolarHBondContact O-N 2.75Å; N127-D129 VanDerWaalsContact O-N 3.11Å; N127-V130 HydrophobicContact CB-CG2 3.99Å; N127-V130 WeakPolarHBondContact O-CB 3.49Å; N127-V130 WeakPolarHBondContact O-CG2 3.35Å; N127-V130 PolarHBondContact O-N 2.86Å; N127-G197 PolarHBondContact N-O 2.75Å
128G94.9Very high96.9Very high3 Ų326.1 Ų26.13%0.03116%0.157CC..THydrogen-bonded Turntrans-70.6-5.4-176.600000114.6L20L20-G128 WeakPolarHBondContact O-CA 3.44Å; L20-G128 PolarHBondContact O-N 2.75Å
129D93.8Very high97Very high32 Ų3223.3 Ų23.317%0.17113%0.128CC..THydrogen-bonded Turntrans-100.312.7174.274.8-19.4000114.5K39 N127 Q259 I260K39-D129 IonicContact NZ-OD2 3.58Å; K39-D129 PolarHBondContact NZ-OD2 3.06Å; K39-D129 VanDerWaalsContact NZ-OD2 3.08Å; N127-D129 PolarHBondContact O-N 2.75Å; N127-D129 VanDerWaalsContact O-N 3.11Å; D129-Q259 WeakPolarHBondContact O-CG 3.35Å; D129-Q259 PolarHBondContact OD1-NE2 3.07Å; D129-Q259 PolarHBondContact OD2-NE2 3.03Å; D129-I260 PolarHBondContact O-N 2.68Å
130V94.8Very high97Very high2 Ų220 Ų201%0.01210%0.104CC..EExtended strand (participates in β ladder)trans-80141.9167.9173.30000109.4H53 M126 N127 C132 C196H53-V130 PolarHBondContact CE1-O 2.9Å; H53-V130 PolarHBondContact NE2-O 3.24Å; M126-V130 HydrophobicContact CE-CB 4.15Å; M126-V130 HydrophobicContact CE-CG1 4.44Å; N127-V130 HydrophobicContact CB-CG2 3.99Å; N127-V130 WeakPolarHBondContact O-CB 3.49Å; N127-V130 WeakPolarHBondContact O-CG2 3.35Å; N127-V130 PolarHBondContact O-N 2.86Å; V130-C132 HydrophobicContact CG1-CB 3.61Å; V130-C196 VanDerWaalsContact CG2-O 3.26Å; V130-C196 WeakPolarHBondContact CG2-O 3.49Å
131C95.8Very high97Very high7 Ų724.5 Ų24.55%0.04712%0.124CC..EExtended strand (participates in β ladder)trans-121.6114.7165.5-167.20000107.3F256 W257 S258 I260 A269 I273C131-F256 HydrophobicContact CB-CE1 4.38Å; C131-W257 CarbonylContact O-C 3.29Å; C131-W257 WeakPolarHBondContact O-CA 2.95Å; C131-S258 PolarHBondContact N-O 2.81Å; C131-S258 PolarHBondContact O-N 3.4Å; C131-I260 HydrophobicContact CB-CD1 3.79Å; C131-I260 HydrophobicContact CB-CG1 3.97Å; C131-A269 HydrophobicContact CB-CB 4.15Å; C131-I273 WeakPolarHBondContact SG-CG1 3.35Å
132C95Very high97Very high11 Ų1123 Ų237%0.07411%0.113CC..EExtended strand (participates in β ladder)trans-154.2147.3-167.2-175.30000111.5V130 L134 F256V130-C132 HydrophobicContact CG1-CB 3.61Å; C132-L134 HydrophobicContact CB-CD2 3.9Å; C132-L134 HydrophobicContact CB-CG 4.35Å; C132-L134 PolarHBondContact O-N 2.84Å; C132-F256 VanDerWaalsContact CA-O 3.28Å; C132-F256 WeakPolarHBondContact CA-O 3.43Å; C132-F256 PolarHBondContact SG-O 2.81Å
133D96.6Very high96.9Very high24 Ų2423.1 Ų23.113%0.12811%0.114CC..  trans-81.394.2160.2175.49.6000108P135 R255 F256 L276 R279D133-P135 WeakPolarHBondContact O-CD 3.43Å; D133-R255 HydrophobicContact CB-CB 4.11Å; D133-R255 WeakPolarHBondContact O-CB 3.43Å; D133-R255 WeakPolarHBondContact O-CD 3.42Å; D133-R255 IonicContact OD1-NH1 3.08Å; D133-R255 PolarHBondContact OD1-NH1 3.17Å; D133-F256 PolarHBondContact N-O 2.78Å; D133-L276 HydrophobicContact CB-CD1 4.29Å; D133-L276 HydrophobicContact CB-CD2 4.15Å; D133-R279 IonicContact OD2-CZ 3.85Å; D133-R279 IonicContact OD2-NE 2.82Å; D133-R279 IonicContact OD2-NH2 3.53Å; D133-R279 PolarHBondContact OD2-NH2 2.76Å
134L97.5Very high96.7Very high18 Ų1828.6 Ų28.69%0.09414%0.138CC..  trans-72.9118-165.5-64.9167.7000111.7A56 M126 C132 L136 L198A56-L134 HydrophobicContact CB-CB 4.48Å; A56-L134 HydrophobicContact CB-CD1 3.65Å; M126-L134 HydrophobicContact CE-CD1 4.41Å; M126-L134 HydrophobicContact CE-CD2 4.22Å; M126-L134 HydrophobicContact SD-CD1 4.43Å; C132-L134 HydrophobicContact CB-CD2 3.9Å; C132-L134 HydrophobicContact CB-CG 4.35Å; C132-L134 PolarHBondContact O-N 2.84Å; L134-L136 HydrophobicContact CB-CD1 4.31Å; L134-L136 HydrophobicContact CB-CD2 3.95Å; L134-L136 HydrophobicContact CB-CG 3.78Å; L134-L136 PolarHBondContact O-N 2.93Å; L134-L198 HydrophobicContact CD2-CD2 3.86Å
135P97.4Very high96.5Very high0 Ų033.3 Ų33.30%017%0.17CC..  trans-85.854.4179.236.4-35.2000111.8D133 E138 M139 M155 Y251D133-P135 WeakPolarHBondContact O-CD 3.43Å; P135-E138 WeakPolarHBondContact CA-OE2 3.36Å; P135-E138 HydrophobicContact CB-CB 4.33Å; P135-E138 WeakPolarHBondContact CB-OE2 3.47Å; P135-E138 PolarHBondContact O-N 2.93Å; P135-M139 HydrophobicContact CG-CG 4.44Å; P135-M139 VanDerWaalsContact O-CG 3.3Å; P135-M139 WeakPolarHBondContact O-CG 3.22Å; P135-M139 PolarHBondContact O-N 3.37Å; P135-M155 HydrophobicContact CG-SD 3.73Å; P135-Y251 HydrophobicContact CB-CE1 3.94Å; P135-Y251 HydrophobicContact CG-CD1 4.33Å; P135-Y251 HydrophobicContact CG-CE1 3.61Å
136L98.3Very high96.3Very high7 Ų734.5 Ų34.54%0.03718%0.176CC..Hα-helixtrans-66.3-42.2-167.8-57.2176.3000112.7A56 F57 L60 F124 L134 M139 L140 L198A56-L136 HydrophobicContact CB-CD1 4.26Å; F57-L136 HydrophobicContact CD1-CD1 3.47Å; F57-L136 VanDerWaalsContact CD1-CD1 3.47Å; F57-L136 HydrophobicContact CD1-CD2 4.29Å; F57-L136 HydrophobicContact CE1-CD1 3.73Å; F57-L136 HydrophobicContact CE1-CD2 3.66Å; F57-L136 HydrophobicContact CE1-CG 4.34Å; F57-L136 HydrophobicContact CG-CD1 4.13Å; F57-L136 HydrophobicContact CZ-CD2 4.26Å; L60-L136 HydrophobicContact CD1-CB 4.07Å; L60-L136 HydrophobicContact CD1-CD1 4.03Å; L60-L136 HydrophobicContact CD2-CB 3.59Å; L60-L136 HydrophobicContact CD2-CD1 4.48Å; L60-L136 HydrophobicContact CG-CB 4.03Å; L60-L136 HydrophobicContact CG-CD1 4.04Å; F124-L136 HydrophobicContact CD1-CD2 4.22Å; F124-L136 HydrophobicContact CE1-CD2 3.95Å; F124-L136 HydrophobicContact CZ-CB 4.32Å; F124-L136 HydrophobicContact CZ-CD2 4.3Å; L134-L136 HydrophobicContact CB-CD1 4.31Å; L134-L136 HydrophobicContact CB-CD2 3.95Å; L134-L136 HydrophobicContact CB-CG 3.78Å; L134-L136 PolarHBondContact O-N 2.93Å; L136-M139 PolarHBondContact O-N 3.06Å; L136-L140 WeakPolarHBondContact O-CG 3.3Å; L136-L140 PolarHBondContact O-N 2.79Å; L136-L198 HydrophobicContact CD2-CD1 4.36Å; L136-L198 HydrophobicContact CD2-CD2 4.01Å
137E96.8Very high95.8Very high114 Ų11436.8 Ų36.853%0.53320%0.199SC..Hα-helixtrans-68.2-39.4179.1-68-178.7179.900111.4L60 M139 L140 E141L60-E137 HydrophobicContact CD2-CG 3.94Å; E137-M139 VanDerWaalsContact C-N 3.34Å; E137-M139 PolarHBondContact O-N 3.2Å; E137-L140 WeakPolarHBondContact O-CB 3.42Å; E137-L140 PolarHBondContact O-N 2.86Å; E137-E141 PolarHBondContact O-N 3.35Å
138E97.4Very high95.4Very high66 Ų6641.8 Ų41.831%0.30823%0.231SC..Hα-helixtrans-67-36.8176.7-60.782175.100111.8P135 L140 E141 F142 Y251 R255P135-E138 WeakPolarHBondContact CA-OE2 3.36Å; P135-E138 HydrophobicContact CB-CB 4.33Å; P135-E138 WeakPolarHBondContact CB-OE2 3.47Å; P135-E138 PolarHBondContact O-N 2.93Å; E138-L140 VanDerWaalsContact C-N 3.34Å; E138-E141 PolarHBondContact O-N 2.88Å; E138-F142 WeakPolarHBondContact O-CB 3.34Å; E138-F142 PolarHBondContact O-N 3.35Å; E138-Y251 HydrophobicContact CB-CE2 4.06Å; E138-Y251 WeakPolarHBondContact CB-OH 3.28Å; E138-R255 VanDerWaalsContact CD-NH2 3.31Å; E138-R255 IonicContact OE1-CZ 3.53Å; E138-R255 IonicContact OE1-NH1 3.95Å; E138-R255 IonicContact OE1-NH2 3.08Å; E138-R255 PolarHBondContact OE1-NH2 3.42Å; E138-R255 IonicContact OE2-NH1 3.54Å; E138-R255 IonicContact OE2-NH2 3.05Å
139M98.2Very high95.2Very high0 Ų044.1 Ų44.10%026%0.255CS..Hα-helixtrans-64.6-38.5172.1-74.9-177.573.200112F124 P135 L136 E137 H143 L153 M155 L198 L200 Y251F124-M139 HydrophobicContact CE1-CB 4.31Å; F124-M139 HydrophobicContact CE1-CE 4.31Å; F124-M139 HydrophobicContact CE1-SD 4.28Å; F124-M139 HydrophobicContact CZ-CB 4.41Å; P135-M139 HydrophobicContact CG-CG 4.44Å; P135-M139 VanDerWaalsContact O-CG 3.3Å; P135-M139 WeakPolarHBondContact O-CG 3.22Å; P135-M139 PolarHBondContact O-N 3.37Å; L136-M139 PolarHBondContact O-N 3.06Å; E137-M139 VanDerWaalsContact C-N 3.34Å; E137-M139 PolarHBondContact O-N 3.2Å; M139-H143 WeakPolarHBondContact O-CB 3.36Å; M139-H143 PolarHBondContact O-N 3.34Å; M139-L153 HydrophobicContact CB-CD1 4.42Å; M139-L153 HydrophobicContact CE-CB 4.24Å; M139-L153 VanDerWaalsContact O-CD1 3.3Å; M139-L153 WeakPolarHBondContact O-CD1 3.27Å; M139-M155 HydrophobicContact CE-CB 4.06Å; M139-M155 HydrophobicContact SD-CB 4.11Å; M139-M155 HydrophobicContact SD-CG 4.41Å; M139-M155 HydrophobicContact SD-SD 4.3Å; M139-L198 HydrophobicContact CE-CD2 4.33Å; M139-L198 HydrophobicContact CE-CG 4.23Å; M139-L198 HydrophobicContact SD-CD2 3.48Å; M139-L198 WeakPolarHBondContact SD-CD2 3.44Å; M139-L198 HydrophobicContact SD-CG 4.03Å; M139-L200 HydrophobicContact CE-CB 4.32Å; M139-Y251 HydrophobicContact CG-CD1 3.5Å; M139-Y251 HydrophobicContact CG-CD2 4.19Å; M139-Y251 HydrophobicContact CG-CE1 3.9Å; M139-Y251 HydrophobicContact CG-CG 3.68Å; M139-Y251 HydrophobicContact SD-CD1 4.32Å
140L96.7Very high95.3Very high19 Ų1944.8 Ų44.810%0.09926%0.259CS..Hα-helixtrans-63.4-44.3174.1-73.3173.4000111.2I15 L60 L122 F124 L136 E137 E138 H143 K144 L200I15-L140 HydrophobicContact CD1-CD1 3.72Å; I15-L140 HydrophobicContact CD1-CD2 3.74Å; I15-L140 HydrophobicContact CD1-CG 4.4Å; I15-L140 HydrophobicContact CG1-CD2 4.5Å; L60-L140 HydrophobicContact CD2-CD1 3.67Å; L122-L140 HydrophobicContact CD1-CD2 3.65Å; F124-L140 HydrophobicContact CE2-CD1 4.4Å; F124-L140 HydrophobicContact CE2-CD2 3.81Å; F124-L140 HydrophobicContact CE2-CG 3.99Å; F124-L140 HydrophobicContact CZ-CD2 4.06Å; F124-L140 HydrophobicContact CZ-CG 3.98Å; L136-L140 WeakPolarHBondContact O-CG 3.3Å; L136-L140 PolarHBondContact O-N 2.79Å; E137-L140 WeakPolarHBondContact O-CB 3.42Å; E137-L140 PolarHBondContact O-N 2.86Å; E138-L140 VanDerWaalsContact C-N 3.34Å; L140-H143 PolarHBondContact O-N 2.95Å; L140-K144 WeakPolarHBondContact O-CG 3.39Å; L140-K144 PolarHBondContact O-N 2.84Å; L140-K144 VanDerWaalsContact O-N 3.13Å; L140-L200 HydrophobicContact CD2-CD1 4.43Å; L140-L200 HydrophobicContact CD2-CD2 3.96Å
141E96.2Very high95.4Very high100 Ų10048.3 Ų48.347%0.46727%0.272SS..Hα-helixtrans-64.7-46179-16855.5-146.500111.4E137 E138 H143 K144 C145E137-E141 PolarHBondContact O-N 3.35Å; E138-E141 PolarHBondContact O-N 2.88Å; E141-H143 VanDerWaalsContact C-N 3.3Å; E141-H143 PolarHBondContact O-N 2.78Å; E141-K144 WeakPolarHBondContact O-CB 3.39Å; E141-K144 PolarHBondContact O-N 3.33Å; E141-K144 WeakPolarHBondContact OE2-CD 3.26Å; E141-K144 WeakPolarHBondContact OE2-CE 3.29Å; E141-K144 IonicContact OE2-NZ 3.15Å; E141-K144 PolarHBondContact OE2-NZ 3.08Å; E141-C145 PolarHBondContact O-N 2.91Å
142F97.4Very high95.5Very high47 Ų4748 Ų4821%0.20627%0.27CS..Hα-helixtrans-58.7-41.8174.8-174.9-97.8000112.1E138 K144 C145 L146 L153 H177 V250 Y251E138-F142 WeakPolarHBondContact O-CB 3.34Å; E138-F142 PolarHBondContact O-N 3.35Å; F142-K144 VanDerWaalsContact C-N 3.29Å; F142-K144 PolarHBondContact O-N 2.86Å; F142-C145 WeakPolarHBondContact O-CB 3.32Å; F142-C145 PolarHBondContact O-N 2.82Å; F142-C145 VanDerWaalsContact O-N 3.17Å; F142-L146 HydrophobicContact CE1-CD1 4.46Å; F142-L146 HydrophobicContact CE1-CD2 4.31Å; F142-L153 HydrophobicContact CD1-CD1 3.81Å; F142-L153 HydrophobicContact CD1-CD2 3.64Å; F142-L153 HydrophobicContact CD1-CG 4.41Å; F142-L153 HydrophobicContact CE1-CD2 3.68Å; F142-H177 AromaticContact CE2-CD2 3.96Å; F142-H177 HydrophobicContact CZ-CB 3.9Å; F142-H177 AromaticContact CZ-CD2 3.87Å; F142-V250 WeakPolarHBondContact CE1-O 3.42Å; F142-V250 WeakPolarHBondContact CZ-O 3.27Å; F142-Y251 HydrophobicContact CB-CD2 3.74Å; F142-Y251 HydrophobicContact CB-CE2 4.13Å; F142-Y251 HydrophobicContact CD1-CD2 4.13Å; F142-Y251 HydrophobicContact CD2-CD2 4.3Å; F142-Y251 AromaticContact CG-CD2 3.8Å; F142-Y251 HydrophobicContact CG-CD2 3.8Å
143H97Very high95.7Very high5 Ų547.5 Ų47.52%0.02327%0.266CS..Hα-helixtrans-61.1-36.3175.8-177.4-59.7000112.3L122 M139 L140 E141 C145 L146 R151 L153 L200L122-H143 WeakPolarHBondContact CD2-NE2 3.43Å; M139-H143 WeakPolarHBondContact O-CB 3.36Å; M139-H143 PolarHBondContact O-N 3.34Å; L140-H143 PolarHBondContact O-N 2.95Å; E141-H143 VanDerWaalsContact C-N 3.3Å; E141-H143 PolarHBondContact O-N 2.78Å; H143-C145 PolarHBondContact O-N 2.96Å; H143-L146 PolarHBondContact O-N 2.91Å; H143-R151 PolarHBondContact NE2-O 2.9Å; H143-R151 VanDerWaalsContact NE2-O 3.14Å; H143-L153 HydrophobicContact CB-CD1 3.85Å; H143-L153 HydrophobicContact CB-CG 4.39Å; H143-L200 HydrophobicContact CB-CD2 3.73Å
144K94.5Very high95.8Very high117 Ų11746.3 Ų46.351%0.50926%0.26SS..Hα-helixtrans-60.7-35.4178.3-67.8172.7-164.7166.20111.2L140 E141 F142 L146 G147L140-K144 WeakPolarHBondContact O-CG 3.39Å; L140-K144 PolarHBondContact O-N 2.84Å; L140-K144 VanDerWaalsContact O-N 3.13Å; E141-K144 WeakPolarHBondContact O-CB 3.39Å; E141-K144 PolarHBondContact O-N 3.33Å; E141-K144 WeakPolarHBondContact OE2-CD 3.26Å; E141-K144 WeakPolarHBondContact OE2-CE 3.29Å; E141-K144 IonicContact OE2-NZ 3.15Å; E141-K144 PolarHBondContact OE2-NZ 3.08Å; F142-K144 VanDerWaalsContact C-N 3.29Å; F142-K144 PolarHBondContact O-N 2.86Å; K144-L146 PolarHBondContact O-N 3.24Å; K144-G147 PolarHBondContact O-N 2.67Å
145C95.2Very high95.9Very high99 Ų9945.5 Ų45.567%0.66926%0.255SS*.Hα-helixtrans-69.6-15.9179.3-60.60000114.1E141 F142 H143 G147E141-C145 PolarHBondContact O-N 2.91Å; F142-C145 WeakPolarHBondContact O-CB 3.32Å; F142-C145 PolarHBondContact O-N 2.82Å; F142-C145 VanDerWaalsContact O-N 3.17Å; H143-C145 PolarHBondContact O-N 2.96Å; C145-G147 VanDerWaalsContact C-N 3.26Å; C145-G147 PolarHBondContact O-N 3.39Å
146L94.6Very high95.9Very high28 Ų2845.5 Ų45.515%0.14726%0.255CS..THydrogen-bonded Turntrans-79.5-4.4179-61.2-176.7000114.2F142 H143 K144 R151 L153 F249F142-L146 HydrophobicContact CE1-CD1 4.46Å; F142-L146 HydrophobicContact CE1-CD2 4.31Å; H143-L146 PolarHBondContact O-N 2.91Å; K144-L146 PolarHBondContact O-N 3.24Å; L146-R151 HydrophobicContact CB-CB 4.07Å; L146-R151 HydrophobicContact CB-CG 4Å; L146-R151 HydrophobicContact CD1-CB 4.14Å; L146-R151 PolarHBondContact O-NE 3.37Å; L146-L153 HydrophobicContact CD1-CD2 3.38Å; L146-L153 HydrophobicContact CD1-CG 4.4Å; L146-F249 HydrophobicContact CD1-CB 3.85Å; L146-F249 HydrophobicContact CD1-CD1 4.45Å; L146-F249 HydrophobicContact CD1-CD2 3.63Å; L146-F249 HydrophobicContact CD1-CE2 4.32Å; L146-F249 HydrophobicContact CD1-CG 3.72Å; L146-F249 HydrophobicContact CD2-CB 4.39Å; L146-F249 HydrophobicContact CD2-CD1 3.81Å; L146-F249 HydrophobicContact CD2-CD2 4.35Å; L146-F249 HydrophobicContact CD2-CE1 4.17Å; L146-F249 HydrophobicContact CD2-CG 3.92Å; L146-F249 HydrophobicContact CG-CG 4.49Å
147G87.6Confident95.9Very high48 Ų4845.5 Ų45.550%0.49526%0.256SS..  trans77.9-156.8179.500000113.9K144 C145K144-G147 PolarHBondContact O-N 2.67Å; C145-G147 VanDerWaalsContact C-N 3.26Å; C145-G147 PolarHBondContact O-N 3.39Å
148T87.5Confident95.9Very high131 Ų13141.7 Ų41.780%0.80424%0.239SC*.SBendtrans-91.7164-17658.30000112.4
149G91.3Very high95.8Very high52 Ų5238.6 Ų38.654%0.53623%0.225SC..SBendtrans100.1-170.3179.400000113.6R151G149-R151 VanDerWaalsContact C-N 3.35Å; G149-R151 PolarHBondContact O-N 2.97Å
150D95.5Very high95.5Very high46 Ų4640 Ų4025%0.24623%0.234CC..SBendtrans-78.286.1178.7-70.6-28000109.3F152 T202 G204 K207 T247D150-F152 HydrophobicContact CB-CE1 4.24Å; D150-F152 HydrophobicContact CB-CE2 4.36Å; D150-F152 HydrophobicContact CB-CZ 3.78Å; D150-T202 PolarHBondContact OD1-OG1 2.96Å; D150-G204 VanDerWaalsContact OD1-CA 3.3Å; D150-G204 WeakPolarHBondContact OD1-CA 3.34Å; D150-K207 IonicContact OD2-NZ 2.83Å; D150-K207 PolarHBondContact OD2-NZ 3.35Å; D150-T247 WeakPolarHBondContact O-CB 3.43Å
151R97.2Very high95.4Very high76 Ų7646.7 Ų46.729%0.28726%0.257SS..  trans-108.2123.8176.9-57.1-63-179.5-170.40.6109H143 L146 G149 G246H143-R151 PolarHBondContact NE2-O 2.9Å; H143-R151 VanDerWaalsContact NE2-O 3.14Å; L146-R151 HydrophobicContact CB-CB 4.07Å; L146-R151 HydrophobicContact CB-CG 4Å; L146-R151 HydrophobicContact CD1-CB 4.14Å; L146-R151 PolarHBondContact O-NE 3.37Å; G149-R151 VanDerWaalsContact C-N 3.35Å; G149-R151 PolarHBondContact O-N 2.97Å; R151-G246 PolarHBondContact NH1-O 3.27Å
152F98.7Very high95.1Very high0 Ų048.6 Ų48.60%027%0.266CS..EExtended strand (participates in β ladder)trans-118.3138.6-173.8-55-44.8000109.8D150 F201 T202 I205 F208 L242 T247 L248 F249D150-F152 HydrophobicContact CB-CE1 4.24Å; D150-F152 HydrophobicContact CB-CE2 4.36Å; D150-F152 HydrophobicContact CB-CZ 3.78Å; F152-F201 HydrophobicContact CB-CD1 3.72Å; F152-F201 HydrophobicContact CB-CE1 4Å; F152-F201 HydrophobicContact CD1-CB 4.12Å; F152-F201 AromaticContact CD1-CD1 3.64Å; F152-F201 HydrophobicContact CD1-CD1 3.64Å; F152-F201 HydrophobicContact CD1-CG 4.32Å; F152-F201 HydrophobicContact CE1-CB 4.47Å; F152-F201 HydrophobicContact CE1-CD1 4.49Å; F152-F201 AromaticContact CG-CD1 3.83Å; F152-F201 HydrophobicContact CG-CD1 3.83Å; F152-F201 HydrophobicContact CG-CE1 4.35Å; F152-T202 WeakPolarHBondContact CE1-OG1 3.23Å; F152-I205 HydrophobicContact CD1-CB 4.47Å; F152-I205 HydrophobicContact CD1-CD1 4.36Å; F152-I205 HydrophobicContact CD2-CD1 4.17Å; F152-I205 HydrophobicContact CE1-CB 3.81Å; F152-I205 HydrophobicContact CE1-CD1 4.16Å; F152-I205 HydrophobicContact CE2-CD1 3.96Å; F152-I205 HydrophobicContact CG-CD1 4.35Å; F152-I205 HydrophobicContact CZ-CB 4.05Å; F152-I205 HydrophobicContact CZ-CD1 3.94Å; F152-F208 AromaticContact CE2-CD2 3.82Å; F152-F208 HydrophobicContact CE2-CD2 3.82Å; F152-F208 AromaticContact CE2-CE2 3.56Å; F152-F208 HydrophobicContact CE2-CE2 3.56Å; F152-F208 HydrophobicContact CE2-CZ 4.33Å; F152-F208 AromaticContact CZ-CD2 3.91Å; F152-F208 HydrophobicContact CZ-CD2 3.91Å; F152-F208 AromaticContact CZ-CE2 3.72Å; F152-F208 HydrophobicContact CZ-CE2 3.72Å; F152-L242 HydrophobicContact CD2-CD1 3.79Å; F152-L242 HydrophobicContact CD2-CD2 4.25Å; F152-L242 HydrophobicContact CE2-CD1 4.09Å; F152-L242 HydrophobicContact CE2-CD2 4.03Å; F152-T247 PolarHBondContact N-O 2.65Å; F152-L248 HydrophobicContact CB-CD1 3.75Å; F152-F249 PolarHBondContact O-N 2.98Å
153L98.6Very high94.9Very high0 Ų046.8 Ų46.80%026%0.259CS..EExtended strand (participates in β ladder)trans-109141.6173.1-58.5-173.6000111.9M139 F142 H143 L146 Y199 L200 F249M139-L153 HydrophobicContact CB-CD1 4.42Å; M139-L153 HydrophobicContact CE-CB 4.24Å; M139-L153 VanDerWaalsContact O-CD1 3.3Å; M139-L153 WeakPolarHBondContact O-CD1 3.27Å; F142-L153 HydrophobicContact CD1-CD1 3.81Å; F142-L153 HydrophobicContact CD1-CD2 3.64Å; F142-L153 HydrophobicContact CD1-CG 4.41Å; F142-L153 HydrophobicContact CE1-CD2 3.68Å; H143-L153 HydrophobicContact CB-CD1 3.85Å; H143-L153 HydrophobicContact CB-CG 4.39Å; L146-L153 HydrophobicContact CD1-CD2 3.38Å; L146-L153 HydrophobicContact CD1-CG 4.4Å; L153-Y199 VanDerWaalsContact O-CA 3.24Å; L153-Y199 WeakPolarHBondContact O-CA 3.34Å; L153-L200 HydrophobicContact CB-CB 4.06Å; L153-L200 HydrophobicContact CD1-CB 4.43Å; L153-L200 HydrophobicContact CD1-CD2 4.15Å; L153-L200 HydrophobicContact CG-CB 4.43Å; L153-L200 PolarHBondContact N-O 3.21Å; L153-L200 PolarHBondContact O-N 3.16Å; L153-F249 CarbonylContact C-O 3.6Å; L153-F249 VanDerWaalsContact CA-O 3.32Å; L153-F249 WeakPolarHBondContact CA-O 3.31Å; L153-F249 HydrophobicContact CD2-CB 3.85Å
154I98.7Very high94.8Very high0 Ų046.6 Ų46.60%026%0.258CS..EExtended strand (participates in β ladder)trans-115.3125.8163.1-171.5164.4000108.9I170 V179 Y182 N195 Y199 L248 F249 V250 Y251I154-I170 HydrophobicContact CD1-CD1 3.92Å; I154-I170 HydrophobicContact CG1-CD1 4.23Å; I154-I170 HydrophobicContact CG2-CD1 4.09Å; I154-V179 HydrophobicContact CG2-CG2 3.88Å; I154-Y182 HydrophobicContact CD1-CD2 4.19Å; I154-Y182 HydrophobicContact CD1-CE2 3.63Å; I154-N195 HydrophobicContact CD1-CB 3.95Å; I154-N195 HydrophobicContact CG1-CB 4.47Å; I154-Y199 HydrophobicContact CB-CD1 4.19Å; I154-Y199 HydrophobicContact CD1-CD1 4.25Å; I154-Y199 HydrophobicContact CD1-CE1 3.74Å; I154-Y199 HydrophobicContact CG1-CD1 3.86Å; I154-Y199 HydrophobicContact CG1-CE1 3.74Å; I154-L248 HydrophobicContact CB-CD1 4.33Å; I154-L248 HydrophobicContact CG2-CD1 4.39Å; I154-L248 HydrophobicContact CG2-CG 4.49Å; I154-F249 WeakPolarHBondContact CG2-O 3.34Å; I154-F249 PolarHBondContact N-O 2.74Å; I154-V250 HydrophobicContact CG2-CG2 4.16Å; I154-Y251 PolarHBondContact O-N 3.46Å
155M98.7Very high94.8Very high0 Ų043.9 Ų43.90%025%0.248CC..EExtended strand (participates in β ladder)trans-74.9131.8170.8-172.8176.784.200109.1P135 M139 C196 L198 Y251 T253P135-M155 HydrophobicContact CG-SD 3.73Å; M139-M155 HydrophobicContact CE-CB 4.06Å; M139-M155 HydrophobicContact SD-CB 4.11Å; M139-M155 HydrophobicContact SD-CG 4.41Å; M139-M155 HydrophobicContact SD-SD 4.3Å; M155-C196 HydrophobicContact CB-CB 4.21Å; M155-C196 HydrophobicContact CE-CB 3.27Å; M155-C196 HydrophobicContact CG-CB 4.11Å; M155-C196 VanDerWaalsContact O-CB 3.32Å; M155-C196 WeakPolarHBondContact O-CB 3.48Å; M155-C196 PolarHBondContact O-N 2.74Å; M155-L198 HydrophobicContact CB-CB 3.99Å; M155-L198 HydrophobicContact CB-CD2 4.35Å; M155-L198 HydrophobicContact CB-CG 4.39Å; M155-L198 WeakPolarHBondContact CB-O 3.22Å; M155-L198 HydrophobicContact CE-CB 4.21Å; M155-L198 HydrophobicContact CE-CD2 4.2Å; M155-L198 PolarHBondContact N-O 3.48Å; M155-L198 HydrophobicContact SD-CB 4.45Å; M155-L198 HydrophobicContact SD-CD2 3.69Å; M155-Y251 CarbonylContact C-O 3.47Å; M155-Y251 WeakPolarHBondContact CA-O 3.46Å; M155-Y251 HydrophobicContact CG-CD1 4.31Å; M155-T253 HydrophobicContact CE-CG2 3.93Å; M155-T253 HydrophobicContact CG-CG2 3.87Å; M155-T253 HydrophobicContact SD-CG2 3.68Å
156A98.6Very high94.7Very high0 Ų043.4 Ų43.40%023%0.234CC..EExtended strand (participates in β ladder)trans-130.1162.3177.900000112.8I170 T193 I194 C196 V250 Y251 T253A156-I170 HydrophobicContact CB-CD1 3.8Å; A156-T193 HydrophobicContact CB-CG2 3.55Å; A156-I194 WeakPolarHBondContact CA-O 3.31Å; A156-I194 WeakPolarHBondContact CB-O 3.03Å; A156-C196 VanDerWaalsContact C-SG 3.51Å; A156-V250 HydrophobicContact CB-CG1 3.5Å; A156-V250 VanDerWaalsContact CB-CG1 3.5Å; A156-Y251 PolarHBondContact N-O 3.06Å; A156-T253 PolarHBondContact O-N 3.11Å
157T97.4Very high94.8Very high7 Ų743.3 Ų43.34%0.04323%0.233CC..EExtended strand (participates in β ladder)trans-147.6165.8170.1-1670000108.5I194 C196 T253 W257 K408T157-I194 HydrophobicContact CG2-CD1 4.07Å; T157-I194 HydrophobicContact CG2-CG1 3.86Å; T157-I194 PolarHBondContact N-O 3.39Å; T157-I194 VanDerWaalsContact N-O 3.11Å; T157-I194 WeakPolarHBondContact O-CG1 3.1Å; T157-I194 PolarHBondContact O-N 2.92Å; T157-C196 VanDerWaalsContact CG2-SG 3.5Å; T157-C196 PolarHBondContact N-SG 2.9Å; T157-T253 PolarHBondContact OG1-O 2.88Å; T157-T253 VanDerWaalsContact OG1-O 3.12Å; T157-W257 HydrophobicContact CG2-CD2 4.45Å; T157-W257 HydrophobicContact CG2-CE3 4.04Å; T157-K408 PolarHBondContact OG1-NZ 3.08Å
158D96.3Very high95.3Very high34 Ų3441.1 Ų41.118%0.18221%0.21CC..EExtended strand (participates in β ladder)trans-81.8145.5174.3-79.9-54.7000112.4T192 F406 K408D158-T192 PolarHBondContact OD1-OG1 3.46Å; D158-T192 VanDerWaalsContact OD1-OG1 3.08Å; D158-F406 HydrophobicContact CB-CB 3.88Å; D158-F406 HydrophobicContact CB-CD1 3.54Å; D158-F406 HydrophobicContact CB-CD2 3.81Å; D158-F406 HydrophobicContact CB-CE1 3.89Å; D158-F406 HydrophobicContact CB-CE2 4.14Å; D158-F406 HydrophobicContact CB-CG 3.47Å; D158-F406 VanDerWaalsContact CB-CG 3.47Å; D158-F406 HydrophobicContact CB-CZ 4.15Å; D158-K408 WeakPolarHBondContact O-CE 3.4Å; D158-K408 PolarHBondContact O-NZ 2.88Å
159A94.9Very high95.8Very high1 Ų134.9 Ų34.91%0.00817%0.172CC..  trans-130.4163.8165.200000110.8Q163 T192 I194 F406 K408A159-Q163 HydrophobicContact CB-CB 4.32Å; A159-T192 PolarHBondContact N-O 3.29Å; A159-T192 WeakPolarHBondContact O-CB 3.3Å; A159-T192 WeakPolarHBondContact O-CG2 3.09Å; A159-I194 HydrophobicContact CB-CD1 3.78Å; A159-I194 HydrophobicContact CB-CG1 4.03Å; A159-I194 HydrophobicContact CB-CG2 4Å; A159-F406 WeakPolarHBondContact CA-O 3.31Å; A159-K408 HydrophobicContact CB-CG 4.01Å
160T93.6Very high96.1Very high30 Ų3032.4 Ų32.418%0.18415%0.146CC..  trans-61.5153.6173.764.20000111.7Q162 Q163 S164 T407T160-Q162 PolarHBondContact O-N 2.77Å; T160-Q163 PolarHBondContact O-N 2.98Å; T160-Q163 WeakPolarHBondContact OG1-CB 3.42Å; T160-Q163 VanDerWaalsContact OG1-CG 3.24Å; T160-Q163 WeakPolarHBondContact OG1-CG 3.38Å; T160-Q163 PolarHBondContact OG1-N 2.85Å; T160-Q163 PolarHBondContact OG1-OE1 3.45Å; T160-S164 PolarHBondContact O-N 3.19Å; T160-T407 WeakPolarHBondContact CG2-OG1 3.4Å
161R93.5Very high96.3Very high159 Ų15932.9 Ų32.960%0.615%0.151SC*.Hα-helixtrans-45.8-40.3177.7-168.1-169.5179.796.1-1113.7S164 F189R161-S164 PolarHBondContact O-OG 3.19Å; R161-F189 HydrophobicContact CB-CD2 4.15Å; R161-F189 HydrophobicContact CB-CE2 4.1Å; R161-F189 HydrophobicContact CG-CB 4.21Å; R161-F189 HydrophobicContact CG-CD1 4.2Å; R161-F189 HydrophobicContact CG-CD2 3.26Å; R161-F189 HydrophobicContact CG-CE1 4.43Å; R161-F189 HydrophobicContact CG-CE2 3.54Å; R161-F189 HydrophobicContact CG-CG 3.61Å; R161-F189 HydrophobicContact CG-CZ 4.11Å; R161-F189 VanDerWaalsContact CZ-CD1 3.41Å
162Q91Very high96.3Very high140 Ų14031.5 Ų31.565%0.65415%0.148SC*.Hα-helixtrans-79.1-34.8-178.7-69.7178.5-2400112.7T160T160-Q162 PolarHBondContact O-N 2.77Å
163Q92.5Very high96.3Very high10 Ų1033.7 Ų33.75%0.04716%0.159CC..Hα-helixtrans-80.7-29.5-178.2-69.6174.9-34.500112.3A159 T160 M165 K166 F167 K408A159-Q163 HydrophobicContact CB-CB 4.32Å; T160-Q163 PolarHBondContact O-N 2.98Å; T160-Q163 WeakPolarHBondContact OG1-CB 3.42Å; T160-Q163 VanDerWaalsContact OG1-CG 3.24Å; T160-Q163 WeakPolarHBondContact OG1-CG 3.38Å; T160-Q163 PolarHBondContact OG1-N 2.85Å; T160-Q163 PolarHBondContact OG1-OE1 3.45Å; Q163-M165 PolarHBondContact O-N 3.44Å; Q163-K166 VanDerWaalsContact O-CB 3.31Å; Q163-K166 WeakPolarHBondContact O-CB 3.17Å; Q163-K166 PolarHBondContact O-N 3.43Å; Q163-F167 VanDerWaalsContact O-CD2 3.29Å; Q163-F167 WeakPolarHBondContact O-CD2 3.27Å; Q163-K408 PolarHBondContact NE2-O 3.32Å
164S95.2Very high96.2Very high0 Ų038.2 Ų38.20%019%0.189CC..Hα-helixtrans-59.4-36.3-176.768.50000113T160 R161 K166 F167 C169 S191T160-S164 PolarHBondContact O-N 3.19Å; R161-S164 PolarHBondContact O-OG 3.19Å; S164-K166 PolarHBondContact O-N 3.02Å; S164-F167 PolarHBondContact O-N 3.05Å; S164-C169 PolarHBondContact O-SG 2.92Å; S164-C169 VanDerWaalsContact O-SG 3.37Å; S164-S191 WeakPolarHBondContact CB-O 3.42Å; S164-S191 PolarHBondContact OG-O 3.42Å
165M94.4Very high96Very high61 Ų6145 Ų4530%0.323%0.225SC..THydrogen-bonded Turntrans-60.6-10.5175.3-59.5-176.8-57.600114.4Q163 F167 K185 P186 F189Q163-M165 PolarHBondContact O-N 3.44Å; M165-F167 VanDerWaalsContact C-N 3.33Å; M165-K185 CarbonylContact O-C 3.53Å; M165-K185 WeakPolarHBondContact O-CA 3.4Å; M165-P186 HydrophobicContact CG-CG 4.48Å; M165-F189 HydrophobicContact SD-CB 4.3Å; M165-F189 PolarHBondContact SD-N 2.78Å
166K93.3Very high95.9Very high88 Ų8848.2 Ų48.238%0.38324%0.244SC..THydrogen-bonded Turntrans-88.1-1.2175.3-57.8-179.9-178178.10113.3Q163 S164 K185Q163-K166 VanDerWaalsContact O-CB 3.31Å; Q163-K166 WeakPolarHBondContact O-CB 3.17Å; Q163-K166 PolarHBondContact O-N 3.43Å; S164-K166 PolarHBondContact O-N 3.02Å; K166-K185 WeakPolarHBondContact O-CE 3.5Å
167F95.7Very high95.9Very high26 Ų2651.1 Ų51.111%0.11426%0.258CS..SBendtrans-133.5179.5-175.4-56.1-83000110.7Q163 S164 M165 C169 K185 I194 W257Q163-F167 VanDerWaalsContact O-CD2 3.29Å; Q163-F167 WeakPolarHBondContact O-CD2 3.27Å; S164-F167 PolarHBondContact O-N 3.05Å; M165-F167 VanDerWaalsContact C-N 3.33Å; F167-C169 PolarHBondContact O-N 3.44Å; F167-K185 VanDerWaalsContact O-CA 3.27Å; F167-K185 WeakPolarHBondContact O-CA 3.3Å; F167-K185 PolarHBondContact O-N 2.88Å; F167-I194 HydrophobicContact CB-CB 3.86Å; F167-I194 HydrophobicContact CB-CD1 4.46Å; F167-I194 HydrophobicContact CB-CG2 3.83Å; F167-I194 HydrophobicContact CD1-CD1 4.42Å; F167-I194 HydrophobicContact CD2-CB 4.46Å; F167-I194 HydrophobicContact CD2-CD1 3.78Å; F167-I194 HydrophobicContact CD2-CG2 4.1Å; F167-I194 HydrophobicContact CE2-CD1 4.06Å; F167-I194 HydrophobicContact CG-CB 4.3Å; F167-I194 HydrophobicContact CG-CD1 3.97Å; F167-I194 HydrophobicContact CG-CG2 4.29Å; F167-I194 HydrophobicContact CZ-CD1 4.5Å; F167-W257 HydrophobicContact CD1-CH2 4.01Å; F167-W257 AromaticContact CE1-CH2 3.59Å; F167-W257 HydrophobicContact CE1-CH2 3.59Å; F167-W257 HydrophobicContact CE1-CZ3 4.34Å; F167-W257 HydrophobicContact CZ-CH2 4.09Å; F167-W257 HydrophobicContact CZ-CZ3 4.4Å
168G97.6Very high95.9Very high2 Ų252.5 Ų52.52%0.02126%0.264CS..EExtended strand (participates in β ladder)trans-70.6116166.600000110.6Y182 V183 E184 I194 N195G168-Y182 WeakPolarHBondContact CA-OH 3.48Å; G168-V183 CarbonylContact C-O 3.57Å; G168-V183 WeakPolarHBondContact CA-O 3.39Å; G168-E184 VanDerWaalsContact CA-OE2 3.26Å; G168-E184 WeakPolarHBondContact CA-OE2 3.41Å; G168-E184 PolarHBondContact N-OE2 3.26Å; G168-I194 CarbonylContact O-C 3.57Å; G168-I194 VanDerWaalsContact O-CA 3.29Å; G168-I194 WeakPolarHBondContact O-CA 3.29Å; G168-N195 PolarHBondContact O-N 3.11Å
169C98.5Very high96.1Very high0 Ų050.9 Ų50.90%026%0.255CS..EExtended strand (participates in β ladder)trans-86.5136176.8-73.40000110.3S164 F167 Y182 V183 P186 V190 T193S164-C169 PolarHBondContact O-SG 2.92Å; S164-C169 VanDerWaalsContact O-SG 3.37Å; F167-C169 PolarHBondContact O-N 3.44Å; C169-Y182 WeakPolarHBondContact O-CA 3.44Å; C169-V183 PolarHBondContact N-O 3.37Å; C169-V183 PolarHBondContact O-N 2.83Å; C169-P186 HydrophobicContact CB-CG 4.2Å; C169-V190 HydrophobicContact CB-CB 3.94Å; C169-V190 HydrophobicContact CB-CG1 4.22Å; C169-T193 WeakPolarHBondContact CA-O 3.18Å
170I98.8Very high96.2Very high1 Ų155.3 Ų55.31%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-119.2128.8-176.8-60.9161.5000109.1I154 A156 V179 Y182 S191 T193 N195 V250I154-I170 HydrophobicContact CD1-CD1 3.92Å; I154-I170 HydrophobicContact CG1-CD1 4.23Å; I154-I170 HydrophobicContact CG2-CD1 4.09Å; A156-I170 HydrophobicContact CB-CD1 3.8Å; I170-V179 HydrophobicContact CG2-CG1 4.1Å; I170-V179 HydrophobicContact CG2-CG2 3.97Å; I170-Y182 HydrophobicContact CG1-CD2 3.76Å; I170-Y182 HydrophobicContact CG1-CE2 3.99Å; I170-S191 WeakPolarHBondContact O-CB 3.42Å; I170-S191 PolarHBondContact O-OG 2.94Å; I170-T193 HydrophobicContact CB-CG2 3.93Å; I170-T193 HydrophobicContact CD1-CG2 4.33Å; I170-T193 HydrophobicContact CG2-CG2 4.38Å; I170-T193 PolarHBondContact N-O 3.43Å; I170-T193 WeakPolarHBondContact O-CB 3.13Å; I170-N195 HydrophobicContact CD1-CB 4.26Å; I170-V250 HydrophobicContact CG2-CG2 3.57Å
171V98.6Very high96.5Very high56 Ų5658.5 Ų58.534%0.33929%0.289SS..EExtended strand (participates in β ladder)trans-106.1121.8163-175.70000106.3M180 H181 V190V171-M180 PolarHBondContact O-N 2.84Å; V171-H181 HydrophobicContact CB-CB 3.9Å; V171-H181 HydrophobicContact CG2-CB 4.06Å; V171-H181 PolarHBondContact N-O 2.86Å; V171-H181 PolarHBondContact O-N 3.49Å; V171-H181 VanDerWaalsContact O-N 3.08Å; V171-V190 HydrophobicContact CG2-CG1 3.67Å
172E97.9Very high96.7Very high47 Ų4750.9 Ų50.922%0.2226%0.261CS..EExtended strand (participates in β ladder)trans-110.5158.817978.5-172.4137.300111.5H177 E178 V250 H252E172-H177 IonicContact OE2-CG 3.49Å; E172-H177 IonicContact OE2-ND1 3.36Å; E172-H177 PolarHBondContact OE2-ND1 3.49Å; E172-H177 VanDerWaalsContact OE2-ND1 3.08Å; E172-E178 CarbonylContact C-O 3.45Å; E172-E178 WeakPolarHBondContact CA-O 3.44Å; E172-V250 HydrophobicContact CB-CG2 3.91Å; E172-H252 VanDerWaalsContact CD-NE2 3.25Å; E172-H252 IonicContact OE1-CD2 2.67Å; E172-H252 IonicContact OE1-CE1 2.75Å; E172-H252 IonicContact OE1-NE2 2.86Å; E172-H252 PolarHBondContact OE1-NE2 3.08Å; E172-H252 IonicContact OE2-CD2 3.24Å; E172-H252 IonicContact OE2-NE2 2.63Å; E172-H252 PolarHBondContact OE2-NE2 3.2Å
173D98.3Very high97Very high46 Ų4645.8 Ų45.825%0.24624%0.239CC..  trans-78.4121.1159.8178.9-67000108.6N175 T176 H177 E178 M180D173-N175 PolarHBondContact O-N 3.42Å; D173-N175 WeakPolarHBondContact OD1-CA 3.48Å; D173-N175 WeakPolarHBondContact OD1-CB 3.42Å; D173-N175 PolarHBondContact OD1-N 2.87Å; D173-T176 VanDerWaalsContact CB-OG1 3.3Å; D173-T176 WeakPolarHBondContact CB-OG1 3.17Å; D173-T176 VanDerWaalsContact CG-OG1 3.31Å; D173-T176 PolarHBondContact O-N 3.16Å; D173-T176 PolarHBondContact OD1-N 3.11Å; D173-T176 PolarHBondContact OD1-OG1 2.82Å; D173-H177 WeakPolarHBondContact O-CA 3.31Å; D173-H177 PolarHBondContact O-N 2.81Å; D173-E178 PolarHBondContact N-O 3.45Å; D173-M180 HydrophobicContact CB-CG 3.91Å; D173-M180 HydrophobicContact CB-SD 4.09Å
174P95.8Very high97.3Very high95 Ų9546.3 Ų46.362%0.61724%0.242SC*.THydrogen-bonded Turntrans-70.4-14.1-172.729.1-36.3000113.9
175N96Very high97.3Very high141 Ų14151.2 Ų51.275%0.75426%0.263SS*.THydrogen-bonded Turntrans-94.4-39.2-179.5-54.1-61.4000111.5D173D173-N175 PolarHBondContact O-N 3.42Å; D173-N175 WeakPolarHBondContact OD1-CA 3.48Å; D173-N175 WeakPolarHBondContact OD1-CB 3.42Å; D173-N175 PolarHBondContact OD1-N 2.87Å
176T96.5Very high97.4Very high68 Ų6849 Ų4942%0.41725%0.253SS..THydrogen-bonded Turntrans-102.3-14.7-175.263.90000113.4D173 E178 F249D173-T176 VanDerWaalsContact CB-OG1 3.3Å; D173-T176 WeakPolarHBondContact CB-OG1 3.17Å; D173-T176 VanDerWaalsContact CG-OG1 3.31Å; D173-T176 PolarHBondContact O-N 3.16Å; D173-T176 PolarHBondContact OD1-N 3.11Å; D173-T176 PolarHBondContact OD1-OG1 2.82Å; T176-E178 PolarHBondContact O-N 3.19Å; T176-E178 PolarHBondContact OG1-N 2.97Å; T176-F249 WeakPolarHBondContact O-CD1 3.29Å
177H98.1Very high97.5Very high62 Ų6249.8 Ų49.829%0.28728%0.276SS..  trans58.815.9-169.3-61.5-67.3000114.4F142 E172 D173 F249 V250F142-H177 AromaticContact CE2-CD2 3.96Å; F142-H177 HydrophobicContact CZ-CB 3.9Å; F142-H177 AromaticContact CZ-CD2 3.87Å; E172-H177 IonicContact OE2-CG 3.49Å; E172-H177 IonicContact OE2-ND1 3.36Å; E172-H177 PolarHBondContact OE2-ND1 3.49Å; E172-H177 VanDerWaalsContact OE2-ND1 3.08Å; D173-H177 WeakPolarHBondContact O-CA 3.31Å; D173-H177 PolarHBondContact O-N 2.81Å; H177-F249 CarbonylContact O-C 3.52Å; H177-F249 WeakPolarHBondContact O-CA 3.49Å; H177-V250 PolarHBondContact O-N 2.82Å
178E98.3Very high97.4Very high36 Ų3653.6 Ų53.617%0.16830%0.301CS..BIsolated β-bridgetrans-63.4136.5172.1-177.5179.4164.500110.1E172 D173 T176 M180 G244 G246 F249E172-E178 CarbonylContact C-O 3.45Å; E172-E178 WeakPolarHBondContact CA-O 3.44Å; D173-E178 PolarHBondContact N-O 3.45Å; T176-E178 PolarHBondContact O-N 3.19Å; T176-E178 PolarHBondContact OG1-N 2.97Å; E178-M180 HydrophobicContact CB-SD 4.28Å; E178-M180 HydrophobicContact CG-SD 4.12Å; E178-M180 PolarHBondContact O-N 3.48Å; E178-M180 VanDerWaalsContact O-N 3.11Å; E178-G244 WeakPolarHBondContact OE1-CA 3.31Å; E178-G246 WeakPolarHBondContact OE1-CA 3.44Å; E178-G246 PolarHBondContact OE1-N 3.12Å; E178-F249 HydrophobicContact CB-CD1 4.18Å; E178-F249 HydrophobicContact CB-CE1 4.02Å
179V98.7Very high97.4Very high0 Ų056.5 Ų56.50%031%0.314CS..EExtended strand (participates in β ladder)trans-72.6100.7169.2177.40000108.8I154 I170 A243 G244 L248 V250I154-V179 HydrophobicContact CG2-CG2 3.88Å; I170-V179 HydrophobicContact CG2-CG1 4.1Å; I170-V179 HydrophobicContact CG2-CG2 3.97Å; V179-A243 HydrophobicContact CG1-CB 3.8Å; V179-A243 CarbonylContact O-C 3.6Å; V179-A243 VanDerWaalsContact O-CA 3.25Å; V179-A243 WeakPolarHBondContact O-CA 3.4Å; V179-G244 PolarHBondContact O-N 3.48Å; V179-L248 HydrophobicContact CB-CB 4.3Å; V179-L248 HydrophobicContact CB-CD2 4.03Å; V179-L248 HydrophobicContact CB-CG 4.03Å; V179-L248 HydrophobicContact CG1-CD2 4.12Å; V179-L248 HydrophobicContact CG2-CB 4.46Å; V179-L248 HydrophobicContact CG2-CD2 4Å; V179-L248 HydrophobicContact CG2-CG 3.77Å; V179-L248 PolarHBondContact N-O 3.4Å; V179-V250 HydrophobicContact CG2-CG2 3.37Å
180M98.6Very high97.3Very high93 Ų9358.7 Ų58.746%0.45833%0.327SS..EExtended strand (participates in β ladder)trans-76.9-33.7178.5-61.6-55.3-64.500112.6V171 D173 E178V171-M180 PolarHBondContact O-N 2.84Å; D173-M180 HydrophobicContact CB-CG 3.91Å; D173-M180 HydrophobicContact CB-SD 4.09Å; E178-M180 HydrophobicContact CB-SD 4.28Å; E178-M180 HydrophobicContact CG-SD 4.12Å; E178-M180 PolarHBondContact O-N 3.48Å; E178-M180 VanDerWaalsContact O-N 3.11Å
181H98.5Very high97.2Very high97 Ų9759.5 Ų59.545%0.44933%0.333SS..EExtended strand (participates in β ladder)trans-147.5135.2175.5-162.6-23000110.2V171 V183V171-H181 HydrophobicContact CB-CB 3.9Å; V171-H181 HydrophobicContact CG2-CB 4.06Å; V171-H181 PolarHBondContact N-O 2.86Å; V171-H181 PolarHBondContact O-N 3.49Å; V171-H181 VanDerWaalsContact O-N 3.08Å; H181-V183 WeakPolarHBondContact CE1-CG2 3.41Å
182Y98.7Very high97.2Very high0 Ų059.4 Ų59.40%033%0.332CS..EExtended strand (participates in β ladder)trans-123.8138.9169.8-176.3-78.3000110.1I154 G168 C169 I170 E184 N195 E235 C239 Q240I154-Y182 HydrophobicContact CD1-CD2 4.19Å; I154-Y182 HydrophobicContact CD1-CE2 3.63Å; G168-Y182 WeakPolarHBondContact CA-OH 3.48Å; C169-Y182 WeakPolarHBondContact O-CA 3.44Å; I170-Y182 HydrophobicContact CG1-CD2 3.76Å; I170-Y182 HydrophobicContact CG1-CE2 3.99Å; Y182-E184 HydrophobicContact CE1-CB 4.16Å; Y182-E184 PolarHBondContact OH-OE2 3.11Å; Y182-E184 VanDerWaalsContact OH-OE2 3.08Å; Y182-N195 HydrophobicContact CE2-CB 4.12Å; Y182-N195 PolarHBondContact OH-ND2 3.25Å; Y182-E235 HydrophobicContact CE1-CB 4.21Å; Y182-E235 WeakPolarHBondContact CE1-O 3.42Å; Y182-E235 WeakPolarHBondContact OH-CB 2.82Å; Y182-E235 WeakPolarHBondContact OH-CG 3.4Å; Y182-C239 HydrophobicContact CD1-CB 4.13Å; Y182-C239 HydrophobicContact CD2-CB 4.11Å; Y182-C239 HydrophobicContact CE1-CB 4.11Å; Y182-C239 HydrophobicContact CE2-CB 4.07Å; Y182-C239 HydrophobicContact CG-CB 4.15Å; Y182-Q240 HydrophobicContact CD1-CB 3.96Å; Y182-Q240 WeakPolarHBondContact O-CG 3.46Å
183V98Very high97.2Very high32 Ų3257.7 Ų57.719%0.19433%0.325CS..EExtended strand (participates in β ladder)trans-139.7124.3170.7-171.40000110.4G168 C169 H181 K185 P186 V190G168-V183 CarbonylContact C-O 3.57Å; G168-V183 WeakPolarHBondContact CA-O 3.39Å; C169-V183 PolarHBondContact N-O 3.37Å; C169-V183 PolarHBondContact O-N 2.83Å; H181-V183 WeakPolarHBondContact CE1-CG2 3.41Å; V183-K185 PolarHBondContact O-N 2.98Å; V183-P186 HydrophobicContact CB-CB 4.23Å; V183-P186 HydrophobicContact CG1-CB 3.74Å; V183-V190 HydrophobicContact CG2-CG2 4.39Å
184E97.3Very high97.2Very high22 Ų2255.5 Ų55.510%0.10331%0.313CS..EExtended strand (participates in β ladder)trans-77.8114.4176.2-179.760.1-164.800111.9G168 Y182 E235 R236G168-E184 VanDerWaalsContact CA-OE2 3.26Å; G168-E184 WeakPolarHBondContact CA-OE2 3.41Å; G168-E184 PolarHBondContact N-OE2 3.26Å; Y182-E184 HydrophobicContact CE1-CB 4.16Å; Y182-E184 PolarHBondContact OH-OE2 3.11Å; Y182-E184 VanDerWaalsContact OH-OE2 3.08Å; E184-E235 HydrophobicContact CB-CB 4.3Å; E184-E235 HydrophobicContact CG-CB 4.06Å; E184-E235 WeakPolarHBondContact OE2-CB 3.36Å; E184-R236 HydrophobicContact CB-CG 3.55Å; E184-R236 HydrophobicContact CG-CG 3.77Å
185K95Very high97.3Very high103 Ų10351.4 Ų51.445%0.44829%0.286SS..SBendtrans50.261175.6-61.1-176.5179.4840112.8M165 K166 F167 V183M165-K185 CarbonylContact O-C 3.53Å; M165-K185 WeakPolarHBondContact O-CA 3.4Å; K166-K185 WeakPolarHBondContact O-CE 3.5Å; F167-K185 VanDerWaalsContact O-CA 3.27Å; F167-K185 WeakPolarHBondContact O-CA 3.3Å; F167-K185 PolarHBondContact O-N 2.88Å; V183-K185 PolarHBondContact O-N 2.98Å
186P96.6Very high97.4Very high14 Ų1444.8 Ų44.89%0.09125%0.251CS..  trans-64.5149.3-174.730.2-37.5000111.8M165 C169 V183 T188 V190M165-P186 HydrophobicContact CG-CG 4.48Å; C169-P186 HydrophobicContact CB-CG 4.2Å; V183-P186 HydrophobicContact CB-CB 4.23Å; V183-P186 HydrophobicContact CG1-CB 3.74Å; P186-T188 VanDerWaalsContact C-N 3.28Å; P186-T188 VanDerWaalsContact CB-O 3.3Å; P186-T188 WeakPolarHBondContact CB-O 3.42Å; P186-T188 WeakPolarHBondContact CG-O 3.26Å; P186-T188 PolarHBondContact O-N 2.87Å; P186-V190 HydrophobicContact CB-CG2 3.82Å; P186-V190 HydrophobicContact CG-CB 4.43Å; P186-V190 HydrophobicContact CG-CG2 3.9Å
187A95Very high97.4Very high105 Ų10541.7 Ų41.787%0.86823%0.232SC*.SBendtrans-71.1-26175.700000112.7
188T95.4Very high97.5Very high105 Ų10538.7 Ų38.764%0.64422%0.219SC*.SBendtrans-123.3153.2178.253.70000110.2P186 V190P186-T188 VanDerWaalsContact C-N 3.28Å; P186-T188 VanDerWaalsContact CB-O 3.3Å; P186-T188 WeakPolarHBondContact CB-O 3.42Å; P186-T188 WeakPolarHBondContact CG-O 3.26Å; P186-T188 PolarHBondContact O-N 2.87Å; T188-V190 PolarHBondContact O-N 3.08Å
189F96.7Very high97.5Very high64 Ų6437 Ų3728%0.28121%0.211SC..  trans-58.4134.1180173.7-100.5000111.9R161 M165 S191 T192R161-F189 HydrophobicContact CB-CD2 4.15Å; R161-F189 HydrophobicContact CB-CE2 4.1Å; R161-F189 HydrophobicContact CG-CB 4.21Å; R161-F189 HydrophobicContact CG-CD1 4.2Å; R161-F189 HydrophobicContact CG-CD2 3.26Å; R161-F189 HydrophobicContact CG-CE1 4.43Å; R161-F189 HydrophobicContact CG-CE2 3.54Å; R161-F189 HydrophobicContact CG-CG 3.61Å; R161-F189 HydrophobicContact CG-CZ 4.11Å; R161-F189 VanDerWaalsContact CZ-CD1 3.41Å; M165-F189 HydrophobicContact SD-CB 4.3Å; M165-F189 PolarHBondContact SD-N 2.78Å; F189-S191 VanDerWaalsContact CE2-O 3.31Å; F189-S191 WeakPolarHBondContact CE2-O 3.48Å; F189-T192 HydrophobicContact CE2-CG2 4.1Å; F189-T192 HydrophobicContact CZ-CG2 4.19Å
190V96.7Very high97.5Very high46 Ų4637 Ų3728%0.27921%0.211SC..  trans-118.2-56.3176.1174.60000110.2C169 V171 V183 P186 T188C169-V190 HydrophobicContact CB-CB 3.94Å; C169-V190 HydrophobicContact CB-CG1 4.22Å; V171-V190 HydrophobicContact CG2-CG1 3.67Å; V183-V190 HydrophobicContact CG2-CG2 4.39Å; P186-V190 HydrophobicContact CB-CG2 3.82Å; P186-V190 HydrophobicContact CG-CB 4.43Å; P186-V190 HydrophobicContact CG-CG2 3.9Å; T188-V190 PolarHBondContact O-N 3.08Å
191S97.4Very high97.5Very high18 Ų1832.7 Ų32.713%0.12619%0.19CC..  trans-153.3160-177.2179.60000111.2S164 I170 F189 T193S164-S191 WeakPolarHBondContact CB-O 3.42Å; S164-S191 PolarHBondContact OG-O 3.42Å; I170-S191 WeakPolarHBondContact O-CB 3.42Å; I170-S191 PolarHBondContact O-OG 2.94Å; F189-S191 VanDerWaalsContact CE2-O 3.31Å; F189-S191 WeakPolarHBondContact CE2-O 3.48Å; S191-T193 PolarHBondContact OG-N 3.04Å; S191-T193 VanDerWaalsContact OG-N 3.16Å
192T96.9Very high97.5Very high53 Ų5328.8 Ų28.833%0.32517%0.172SC..SBendtrans-80.8-24.4169.750.30000112.4D158 A159 F189 I194D158-T192 PolarHBondContact OD1-OG1 3.46Å; D158-T192 VanDerWaalsContact OD1-OG1 3.08Å; A159-T192 PolarHBondContact N-O 3.29Å; A159-T192 WeakPolarHBondContact O-CB 3.3Å; A159-T192 WeakPolarHBondContact O-CG2 3.09Å; F189-T192 HydrophobicContact CE2-CG2 4.1Å; F189-T192 HydrophobicContact CZ-CG2 4.19Å; T192-I194 PolarHBondContact O-N 3.3Å
193T98.4Very high97.4Very high12 Ų1231 Ų317%0.07419%0.186CC..EExtended strand (participates in β ladder)trans-68.5121.6177.3-50.70000110.2A156 C169 I170 S191 H252A156-T193 HydrophobicContact CB-CG2 3.55Å; C169-T193 WeakPolarHBondContact CA-O 3.18Å; I170-T193 HydrophobicContact CB-CG2 3.93Å; I170-T193 HydrophobicContact CD1-CG2 4.33Å; I170-T193 HydrophobicContact CG2-CG2 4.38Å; I170-T193 PolarHBondContact N-O 3.43Å; I170-T193 WeakPolarHBondContact O-CB 3.13Å; S191-T193 PolarHBondContact OG-N 3.04Å; S191-T193 VanDerWaalsContact OG-N 3.16Å; T193-H252 WeakPolarHBondContact CG2-CE1 3.16Å
194I98.1Very high97.4Very high0 Ų029.7 Ų29.70%018%0.18CC..EExtended strand (participates in β ladder)trans-118.3144.3-178.557.8159.9000112.5A156 T157 A159 F167 G168 T192 C196 W257A156-I194 WeakPolarHBondContact CA-O 3.31Å; A156-I194 WeakPolarHBondContact CB-O 3.03Å; T157-I194 HydrophobicContact CG2-CD1 4.07Å; T157-I194 HydrophobicContact CG2-CG1 3.86Å; T157-I194 PolarHBondContact N-O 3.39Å; T157-I194 VanDerWaalsContact N-O 3.11Å; T157-I194 WeakPolarHBondContact O-CG1 3.1Å; T157-I194 PolarHBondContact O-N 2.92Å; A159-I194 HydrophobicContact CB-CD1 3.78Å; A159-I194 HydrophobicContact CB-CG1 4.03Å; A159-I194 HydrophobicContact CB-CG2 4Å; F167-I194 HydrophobicContact CB-CB 3.86Å; F167-I194 HydrophobicContact CB-CD1 4.46Å; F167-I194 HydrophobicContact CB-CG2 3.83Å; F167-I194 HydrophobicContact CD1-CD1 4.42Å; F167-I194 HydrophobicContact CD2-CB 4.46Å; F167-I194 HydrophobicContact CD2-CD1 3.78Å; F167-I194 HydrophobicContact CD2-CG2 4.1Å; F167-I194 HydrophobicContact CE2-CD1 4.06Å; F167-I194 HydrophobicContact CG-CB 4.3Å; F167-I194 HydrophobicContact CG-CD1 3.97Å; F167-I194 HydrophobicContact CG-CG2 4.29Å; F167-I194 HydrophobicContact CZ-CD1 4.5Å; G168-I194 CarbonylContact O-C 3.57Å; G168-I194 VanDerWaalsContact O-CA 3.29Å; G168-I194 WeakPolarHBondContact O-CA 3.29Å; T192-I194 PolarHBondContact O-N 3.3Å; I194-C196 PolarHBondContact O-N 3.48Å; I194-W257 HydrophobicContact CD1-CE3 4.48Å; I194-W257 HydrophobicContact CD1-CH2 3.9Å; I194-W257 HydrophobicContact CD1-CZ3 3.63Å
195N98.4Very high97.4Very high9 Ų928.8 Ų28.85%0.04818%0.176CC..EExtended strand (participates in β ladder)trans-64.3126.2170178.84.8000111.5I154 G168 I170 Y182 G197 Y199I154-N195 HydrophobicContact CD1-CB 3.95Å; I154-N195 HydrophobicContact CG1-CB 4.47Å; G168-N195 PolarHBondContact O-N 3.11Å; I170-N195 HydrophobicContact CD1-CB 4.26Å; Y182-N195 HydrophobicContact CE2-CB 4.12Å; Y182-N195 PolarHBondContact OH-ND2 3.25Å; N195-G197 PolarHBondContact OD1-N 3.49Å; N195-Y199 PolarHBondContact ND2-OH 3.31Å
196C98.1Very high97.6Very high1 Ų124.6 Ų24.61%0.00716%0.158CC..EExtended strand (participates in β ladder)trans-88.2-5178.9-70.20000114.4V130 M155 A156 T157 I194 W257V130-C196 VanDerWaalsContact CG2-O 3.26Å; V130-C196 WeakPolarHBondContact CG2-O 3.49Å; M155-C196 HydrophobicContact CB-CB 4.21Å; M155-C196 HydrophobicContact CE-CB 3.27Å; M155-C196 HydrophobicContact CG-CB 4.11Å; M155-C196 VanDerWaalsContact O-CB 3.32Å; M155-C196 WeakPolarHBondContact O-CB 3.48Å; M155-C196 PolarHBondContact O-N 2.74Å; A156-C196 VanDerWaalsContact C-SG 3.51Å; T157-C196 VanDerWaalsContact CG2-SG 3.5Å; T157-C196 PolarHBondContact N-SG 2.9Å; I194-C196 PolarHBondContact O-N 3.48Å; C196-W257 HydrophobicContact CB-CD2 4.39Å; C196-W257 HydrophobicContact CB-CG 4.31Å; C196-W257 HydrophobicContact CB-CZ2 4.4Å; C196-W257 PolarHBondContact O-NE1 3.16Å
197G97.5Very high97.6Very high3 Ų329.9 Ų29.93%0.03118%0.179CC..EExtended strand (participates in β ladder)trans7329.2-178.500000113.6M126 N127 N195M126-G197 CarbonylContact C-O 3.53Å; M126-G197 VanDerWaalsContact CA-O 3.22Å; M126-G197 WeakPolarHBondContact CA-O 3.39Å; N127-G197 PolarHBondContact N-O 2.75Å; N195-G197 PolarHBondContact OD1-N 3.49Å
198L98.7Very high97.6Very high0 Ų027.8 Ų27.80%015%0.151CC..EExtended strand (participates in β ladder)trans-127.9131.1170.2173.968.7000108.1F57 F124 V125 M126 L134 L136 M139 M155F57-L198 HydrophobicContact CZ-CD1 4.28Å; F124-L198 HydrophobicContact CD1-CD1 4.02Å; V125-L198 CarbonylContact O-C 2.97Å; V125-L198 WeakPolarHBondContact O-CA 3.39Å; M126-L198 HydrophobicContact CB-CB 4.48Å; M126-L198 HydrophobicContact CB-CD1 3.64Å; L134-L198 HydrophobicContact CD2-CD2 3.86Å; L136-L198 HydrophobicContact CD2-CD1 4.36Å; L136-L198 HydrophobicContact CD2-CD2 4.01Å; M139-L198 HydrophobicContact CE-CD2 4.33Å; M139-L198 HydrophobicContact CE-CG 4.23Å; M139-L198 HydrophobicContact SD-CD2 3.48Å; M139-L198 WeakPolarHBondContact SD-CD2 3.44Å; M139-L198 HydrophobicContact SD-CG 4.03Å; M155-L198 HydrophobicContact CB-CB 3.99Å; M155-L198 HydrophobicContact CB-CD2 4.35Å; M155-L198 HydrophobicContact CB-CG 4.39Å; M155-L198 WeakPolarHBondContact CB-O 3.22Å; M155-L198 HydrophobicContact CE-CB 4.21Å; M155-L198 HydrophobicContact CE-CD2 4.2Å; M155-L198 PolarHBondContact N-O 3.48Å; M155-L198 HydrophobicContact SD-CB 4.45Å; M155-L198 HydrophobicContact SD-CD2 3.69Å
199Y98.8Very high97.7Very high0 Ų022.8 Ų22.80%012%0.12CC..EExtended strand (participates in β ladder)trans-135.3152-173.3-44.1-92000110.1F124 V125 L153 I154 N195 F201 L234 E235F124-Y199 WeakPolarHBondContact CA-O 3.3Å; F124-Y199 WeakPolarHBondContact CD1-O 3.17Å; V125-Y199 HydrophobicContact CB-CD2 4.23Å; V125-Y199 HydrophobicContact CG1-CD2 4.31Å; V125-Y199 PolarHBondContact N-O 2.81Å; V125-Y199 WeakPolarHBondContact O-CD2 3.29Å; V125-Y199 PolarHBondContact O-N 3.39Å; L153-Y199 VanDerWaalsContact O-CA 3.24Å; L153-Y199 WeakPolarHBondContact O-CA 3.34Å; I154-Y199 HydrophobicContact CB-CD1 4.19Å; I154-Y199 HydrophobicContact CD1-CD1 4.25Å; I154-Y199 HydrophobicContact CD1-CE1 3.74Å; I154-Y199 HydrophobicContact CG1-CD1 3.86Å; I154-Y199 HydrophobicContact CG1-CE1 3.74Å; N195-Y199 PolarHBondContact ND2-OH 3.31Å; Y199-F201 AromaticContact CD1-CZ 3.98Å; Y199-F201 HydrophobicContact CD1-CZ 3.98Å; Y199-F201 HydrophobicContact CG-CE2 4.15Å; Y199-F201 AromaticContact CG-CZ 3.76Å; Y199-F201 HydrophobicContact CG-CZ 3.76Å; Y199-L234 HydrophobicContact CD1-CD2 4.28Å; Y199-L234 HydrophobicContact CD2-CD2 3.5Å; Y199-L234 HydrophobicContact CE1-CD2 4.09Å; Y199-L234 HydrophobicContact CE2-CD2 3.3Å; Y199-L234 HydrophobicContact CE2-CG 4.48Å; Y199-L234 HydrophobicContact CG-CD2 4Å; Y199-E235 PolarHBondContact OH-OE1 3.23Å
200L98.7Very high97.6Very high0 Ų026.6 Ų26.60%013%0.133CC..EExtended strand (participates in β ladder)trans-126.9120.4170.7179.861.3000108.7L122 F124 M139 L140 H143 L153L122-L200 HydrophobicContact CB-CD1 3.94Å; L122-L200 HydrophobicContact CD1-CD1 4.32Å; L122-L200 HydrophobicContact CD1-CD2 4.44Å; L122-L200 HydrophobicContact CD2-CD1 4.3Å; L122-L200 HydrophobicContact CD2-CG 4.39Å; L122-L200 HydrophobicContact CG-CD1 4.42Å; F124-L200 HydrophobicContact CD1-CB 4.22Å; F124-L200 HydrophobicContact CD1-CD1 4Å; F124-L200 HydrophobicContact CD2-CD1 3.84Å; F124-L200 HydrophobicContact CE1-CB 4.02Å; F124-L200 HydrophobicContact CE1-CD1 3.95Å; F124-L200 HydrophobicContact CE1-CD2 4.35Å; F124-L200 HydrophobicContact CE1-CG 4.34Å; F124-L200 HydrophobicContact CE2-CD1 3.77Å; F124-L200 HydrophobicContact CG-CD1 3.95Å; F124-L200 HydrophobicContact CZ-CD1 3.84Å; F124-L200 HydrophobicContact CZ-CD2 4.1Å; F124-L200 HydrophobicContact CZ-CG 4.39Å; M139-L200 HydrophobicContact CE-CB 4.32Å; L140-L200 HydrophobicContact CD2-CD1 4.43Å; L140-L200 HydrophobicContact CD2-CD2 3.96Å; H143-L200 HydrophobicContact CB-CD2 3.73Å; L153-L200 HydrophobicContact CB-CB 4.06Å; L153-L200 HydrophobicContact CD1-CB 4.43Å; L153-L200 HydrophobicContact CD1-CD2 4.15Å; L153-L200 HydrophobicContact CG-CB 4.43Å; L153-L200 PolarHBondContact N-O 3.21Å; L153-L200 PolarHBondContact O-N 3.16Å
201F98.6Very high97.5Very high3 Ų328.7 Ų28.71%0.01314%0.141CC..EExtended strand (participates in β ladder)trans-122.2145.6-175.1-60.2-47.3000112.3L122 L123 V125 F152 Y199 I205 L234L122-F201 CarbonylContact C-O 3.49Å; L122-F201 WeakPolarHBondContact CA-O 3.33Å; L123-F201 PolarHBondContact N-O 2.86Å; L123-F201 PolarHBondContact O-N 2.95Å; V125-F201 HydrophobicContact CB-CD2 4.36Å; V125-F201 HydrophobicContact CB-CE2 4.13Å; V125-F201 HydrophobicContact CG2-CD2 3.71Å; V125-F201 HydrophobicContact CG2-CE2 3.89Å; F152-F201 HydrophobicContact CB-CD1 3.72Å; F152-F201 HydrophobicContact CB-CE1 4Å; F152-F201 HydrophobicContact CD1-CB 4.12Å; F152-F201 AromaticContact CD1-CD1 3.64Å; F152-F201 HydrophobicContact CD1-CD1 3.64Å; F152-F201 HydrophobicContact CD1-CG 4.32Å; F152-F201 HydrophobicContact CE1-CB 4.47Å; F152-F201 HydrophobicContact CE1-CD1 4.49Å; F152-F201 AromaticContact CG-CD1 3.83Å; F152-F201 HydrophobicContact CG-CD1 3.83Å; F152-F201 HydrophobicContact CG-CE1 4.35Å; Y199-F201 AromaticContact CD1-CZ 3.98Å; Y199-F201 HydrophobicContact CD1-CZ 3.98Å; Y199-F201 HydrophobicContact CG-CE2 4.15Å; Y199-F201 AromaticContact CG-CZ 3.76Å; Y199-F201 HydrophobicContact CG-CZ 3.76Å; F201-I205 HydrophobicContact CB-CB 3.91Å; F201-I205 HydrophobicContact CB-CG1 4.33Å; F201-I205 HydrophobicContact CB-CG2 3.79Å; F201-I205 HydrophobicContact CD1-CB 4.4Å; F201-I205 HydrophobicContact CD1-CD1 4Å; F201-I205 HydrophobicContact CD1-CG1 4.03Å; F201-I205 HydrophobicContact CD2-CB 4.38Å; F201-I205 HydrophobicContact CD2-CG1 3.94Å; F201-I205 HydrophobicContact CD2-CG2 4.21Å; F201-I205 HydrophobicContact CE1-CD1 4.02Å; F201-I205 HydrophobicContact CE1-CG1 4.3Å; F201-I205 HydrophobicContact CE2-CG1 4.21Å; F201-I205 HydrophobicContact CG-CB 4Å; F201-I205 HydrophobicContact CG-CD1 4.34Å; F201-I205 HydrophobicContact CG-CG1 3.85Å; F201-I205 HydrophobicContact CG-CG2 4.12Å; F201-I205 HydrophobicContact CZ-CD1 4.36Å; F201-I205 HydrophobicContact CZ-CG1 4.38Å; F201-L234 HydrophobicContact CE2-CD1 4.07Å; F201-L234 HydrophobicContact CE2-CD2 4.15Å; F201-L234 HydrophobicContact CZ-CD1 4.04Å; F201-L234 HydrophobicContact CZ-CD2 4.2Å; F201-L234 HydrophobicContact CZ-CG 4.5Å
202T98.1Very high97.3Very high14 Ų1428 Ų289%0.08614%0.136CC..  trans-74.1161.1155.469.10000109.9L122 D150 F152 G204 I205L122-T202 HydrophobicContact CD2-CG2 4.27Å; D150-T202 PolarHBondContact OD1-OG1 2.96Å; F152-T202 WeakPolarHBondContact CE1-OG1 3.23Å; T202-G204 PolarHBondContact O-N 2.81Å; T202-G204 PolarHBondContact OG1-N 3.09Å; T202-I205 WeakPolarHBondContact O-CG2 3.46Å; T202-I205 PolarHBondContact O-N 3.31Å; T202-I205 VanDerWaalsContact O-N 3.12Å
203P97.8Very high97Very high46 Ų4627.9 Ų27.930%0.29913%0.131SC..THydrogen-bonded Turntrans-53.3-20.1171.7-31.637.7000115.2L116 P120 D121 I205 F206L116-P203 HydrophobicContact CD2-CB 3.8Å; L116-P203 HydrophobicContact CD2-CG 4.31Å; P120-P203 WeakPolarHBondContact O-CG 3.35Å; D121-P203 VanDerWaalsContact O-CD 3.29Å; D121-P203 WeakPolarHBondContact O-CD 3.32Å; P203-I205 PolarHBondContact O-N 3.17Å; P203-I205 VanDerWaalsContact O-N 3.14Å; P203-F206 WeakPolarHBondContact O-CD2 3.35Å; P203-F206 PolarHBondContact O-N 3.31Å
204G97.3Very high96.7Very high6 Ų630.6 Ų30.66%0.06215%0.145CC..THydrogen-bonded Turntrans-62.3-17.617700000114.3D150 T202 F206 K207D150-G204 VanDerWaalsContact OD1-CA 3.3Å; D150-G204 WeakPolarHBondContact OD1-CA 3.34Å; T202-G204 PolarHBondContact O-N 2.81Å; T202-G204 PolarHBondContact OG1-N 3.09Å; G204-F206 PolarHBondContact O-N 3.31Å; G204-F206 VanDerWaalsContact O-N 3.13Å; G204-K207 VanDerWaalsContact O-CB 3.29Å; G204-K207 WeakPolarHBondContact O-CB 3.36Å; G204-K207 WeakPolarHBondContact O-CG 3.4Å; G204-K207 PolarHBondContact O-N 2.98Å
205I98Very high96.1Very high2 Ų235.6 Ų35.61%0.0117%0.169CC..Hα-helixtrans-55-32.9176-165.961000112.6F152 F201 T202 P203 K207 F208 I209 I238 L242F152-I205 HydrophobicContact CD1-CB 4.47Å; F152-I205 HydrophobicContact CD1-CD1 4.36Å; F152-I205 HydrophobicContact CD2-CD1 4.17Å; F152-I205 HydrophobicContact CE1-CB 3.81Å; F152-I205 HydrophobicContact CE1-CD1 4.16Å; F152-I205 HydrophobicContact CE2-CD1 3.96Å; F152-I205 HydrophobicContact CG-CD1 4.35Å; F152-I205 HydrophobicContact CZ-CB 4.05Å; F152-I205 HydrophobicContact CZ-CD1 3.94Å; F201-I205 HydrophobicContact CB-CB 3.91Å; F201-I205 HydrophobicContact CB-CG1 4.33Å; F201-I205 HydrophobicContact CB-CG2 3.79Å; F201-I205 HydrophobicContact CD1-CB 4.4Å; F201-I205 HydrophobicContact CD1-CD1 4Å; F201-I205 HydrophobicContact CD1-CG1 4.03Å; F201-I205 HydrophobicContact CD2-CB 4.38Å; F201-I205 HydrophobicContact CD2-CG1 3.94Å; F201-I205 HydrophobicContact CD2-CG2 4.21Å; F201-I205 HydrophobicContact CE1-CD1 4.02Å; F201-I205 HydrophobicContact CE1-CG1 4.3Å; F201-I205 HydrophobicContact CE2-CG1 4.21Å; F201-I205 HydrophobicContact CG-CB 4Å; F201-I205 HydrophobicContact CG-CD1 4.34Å; F201-I205 HydrophobicContact CG-CG1 3.85Å; F201-I205 HydrophobicContact CG-CG2 4.12Å; F201-I205 HydrophobicContact CZ-CD1 4.36Å; F201-I205 HydrophobicContact CZ-CG1 4.38Å; T202-I205 WeakPolarHBondContact O-CG2 3.46Å; T202-I205 PolarHBondContact O-N 3.31Å; T202-I205 VanDerWaalsContact O-N 3.12Å; P203-I205 PolarHBondContact O-N 3.17Å; P203-I205 VanDerWaalsContact O-N 3.14Å; I205-K207 PolarHBondContact O-N 3.41Å; I205-F208 PolarHBondContact O-N 3.46Å; I205-I209 HydrophobicContact CG1-CD1 4.19Å; I205-I209 HydrophobicContact CG1-CG1 4.38Å; I205-I209 WeakPolarHBondContact O-CG1 3.48Å; I205-I209 PolarHBondContact O-N 2.88Å; I205-I238 HydrophobicContact CD1-CG2 3.71Å; I205-L242 HydrophobicContact CD1-CD1 3.88Å
206F98Very high95.4Very high16 Ų1637.2 Ų37.27%0.0718%0.176CC..Hα-helixtrans-64.3-22.3178.7-71.1-78000113.5I108 R112 L115 L116 L123 P203 G204 I209 R210I108-F206 HydrophobicContact CG2-CD1 4.49Å; I108-F206 HydrophobicContact CG2-CE1 3.62Å; I108-F206 HydrophobicContact CG2-CZ 4Å; R112-F206 HydrophobicContact CB-CD1 3.48Å; R112-F206 VanDerWaalsContact CB-CD1 3.48Å; R112-F206 HydrophobicContact CB-CE1 3.33Å; R112-F206 HydrophobicContact CB-CG 4.36Å; R112-F206 HydrophobicContact CB-CZ 4.12Å; L115-F206 HydrophobicContact CB-CZ 3.98Å; L115-F206 HydrophobicContact CD1-CE1 4.22Å; L115-F206 HydrophobicContact CD1-CZ 3.92Å; L116-F206 HydrophobicContact CD1-CD2 3.83Å; L116-F206 HydrophobicContact CD1-CE2 4.02Å; L116-F206 HydrophobicContact CD1-CG 4.31Å; L116-F206 HydrophobicContact CD2-CD2 3.79Å; L116-F206 HydrophobicContact CD2-CE2 3.53Å; L116-F206 HydrophobicContact CG-CD2 3.97Å; L116-F206 HydrophobicContact CG-CE2 3.65Å; L116-F206 HydrophobicContact CG-CZ 4.25Å; L123-F206 HydrophobicContact CD1-CE2 3.52Å; L123-F206 HydrophobicContact CD1-CZ 4.13Å; P203-F206 WeakPolarHBondContact O-CD2 3.35Å; P203-F206 PolarHBondContact O-N 3.31Å; G204-F206 PolarHBondContact O-N 3.31Å; G204-F206 VanDerWaalsContact O-N 3.13Å; F206-I209 HydrophobicContact CD1-CD1 4.37Å; F206-R210 VanDerWaalsContact O-CB 3.25Å; F206-R210 WeakPolarHBondContact O-CB 3.4Å; F206-R210 PolarHBondContact O-N 2.9Å
207K96.5Very high94.5Very high124 Ų12441 Ų4154%0.53919%0.193SC..Hα-helixtrans-64.7-44.4172-58.8171.5-168.6158.20110.3D150 G204 I205 R210 I211D150-K207 IonicContact OD2-NZ 2.83Å; D150-K207 PolarHBondContact OD2-NZ 3.35Å; G204-K207 VanDerWaalsContact O-CB 3.29Å; G204-K207 WeakPolarHBondContact O-CB 3.36Å; G204-K207 WeakPolarHBondContact O-CG 3.4Å; G204-K207 PolarHBondContact O-N 2.98Å; I205-K207 PolarHBondContact O-N 3.41Å; K207-R210 WeakPolarHBondContact O-CB 3.35Å; K207-R210 PolarHBondContact O-N 2.67Å; K207-I211 WeakPolarHBondContact O-CG1 3.28Å; K207-I211 PolarHBondContact O-N 2.86Å; K207-I211 VanDerWaalsContact O-N 3.07Å
208F96.3Very high93.5Very high61 Ų6146.1 Ų46.127%0.26822%0.22SC..Hα-helixtrans-71.5-40.2179.5-60.3-84000111.7F152 I205 R210 I211 A212 L242F152-F208 AromaticContact CE2-CD2 3.82Å; F152-F208 HydrophobicContact CE2-CD2 3.82Å; F152-F208 AromaticContact CE2-CE2 3.56Å; F152-F208 HydrophobicContact CE2-CE2 3.56Å; F152-F208 HydrophobicContact CE2-CZ 4.33Å; F152-F208 AromaticContact CZ-CD2 3.91Å; F152-F208 HydrophobicContact CZ-CD2 3.91Å; F152-F208 AromaticContact CZ-CE2 3.72Å; F152-F208 HydrophobicContact CZ-CE2 3.72Å; I205-F208 PolarHBondContact O-N 3.46Å; F208-R210 VanDerWaalsContact C-N 3.29Å; F208-R210 PolarHBondContact O-N 3.28Å; F208-I211 PolarHBondContact O-N 2.85Å; F208-A212 PolarHBondContact O-N 3.46Å; F208-L242 HydrophobicContact CB-CD2 4.49Å; F208-L242 HydrophobicContact CD1-CD2 3.46Å; F208-L242 VanDerWaalsContact CD1-CD2 3.46Å; F208-L242 HydrophobicContact CD2-CD2 4.1Å; F208-L242 HydrophobicContact CE1-CD2 3.51Å; F208-L242 HydrophobicContact CE2-CD2 4.16Å; F208-L242 HydrophobicContact CG-CD2 3.76Å; F208-L242 HydrophobicContact CZ-CD2 3.86Å
209I96.2Very high92.1Very high1 Ų151.3 Ų51.31%0.00524%0.244CC..Hα-helixtrans-63.5-37.9174-54.5169000111.2A105 I108 Y109 I205 F206 A212 F213 I238A105-I209 HydrophobicContact CB-CG2 4.28Å; I108-I209 HydrophobicContact CB-CD1 4.48Å; I108-I209 HydrophobicContact CG2-CD1 3.8Å; Y109-I209 HydrophobicContact CD2-CB 4.16Å; Y109-I209 HydrophobicContact CD2-CG2 3.79Å; Y109-I209 HydrophobicContact CG-CG2 3.9Å; I205-I209 HydrophobicContact CG1-CD1 4.19Å; I205-I209 HydrophobicContact CG1-CG1 4.38Å; I205-I209 WeakPolarHBondContact O-CG1 3.48Å; I205-I209 PolarHBondContact O-N 2.88Å; F206-I209 HydrophobicContact CD1-CD1 4.37Å; I209-A212 PolarHBondContact O-N 3.21Å; I209-F213 WeakPolarHBondContact O-CB 3.36Å; I209-F213 PolarHBondContact O-N 3.41Å; I209-I238 HydrophobicContact CB-CD1 4.09Å; I209-I238 HydrophobicContact CG1-CD1 3.74Å; I209-I238 HydrophobicContact CG1-CG1 4.16Å; I209-I238 HydrophobicContact CG2-CD1 4.4Å
210R95.9Very high90.1Very high144 Ų14453.9 Ų53.954%0.54326%0.258SS..Hα-helixtrans-61.2-43.5172.9176.9177.3173.8-167.9-3.1112.2Y109 F206 K207 F208 F213 L214Y109-R210 HydrophobicContact CE2-CB 3.71Å; Y109-R210 HydrophobicContact CE2-CG 4.42Å; Y109-R210 WeakPolarHBondContact OH-CG 3.39Å; F206-R210 VanDerWaalsContact O-CB 3.25Å; F206-R210 WeakPolarHBondContact O-CB 3.4Å; F206-R210 PolarHBondContact O-N 2.9Å; K207-R210 WeakPolarHBondContact O-CB 3.35Å; K207-R210 PolarHBondContact O-N 2.67Å; F208-R210 VanDerWaalsContact C-N 3.29Å; F208-R210 PolarHBondContact O-N 3.28Å; R210-F213 PolarHBondContact O-N 2.98Å; R210-L214 HydrophobicContact CG-CD1 4.05Å; R210-L214 HydrophobicContact CG-CG 4.37Å; R210-L214 WeakPolarHBondContact O-CG 3.19Å; R210-L214 PolarHBondContact O-N 3.32Å
211I94.4Very high88.1Confident89 Ų8960.6 Ų60.646%0.45629%0.294SS..Hα-helixtrans-59-51.9177.8-69.4164.2000109.6K207 F208 F213 L214 E215K207-I211 WeakPolarHBondContact O-CG1 3.28Å; K207-I211 PolarHBondContact O-N 2.86Å; K207-I211 VanDerWaalsContact O-N 3.07Å; F208-I211 PolarHBondContact O-N 2.85Å; I211-F213 VanDerWaalsContact C-N 3.29Å; I211-F213 PolarHBondContact O-N 3.38Å; I211-L214 PolarHBondContact O-N 2.98Å; I211-L214 VanDerWaalsContact O-N 3.15Å; I211-E215 WeakPolarHBondContact O-CG 3.48Å; I211-E215 PolarHBondContact O-N 3.22Å
212A93Very high86Confident3 Ų370.3 Ų70.33%0.02533%0.332CS..Hα-helixtrans-57.4-41.6177.400000112.4F208 I209 E215 H216 I232 E237 I238F208-A212 PolarHBondContact O-N 3.46Å; I209-A212 PolarHBondContact O-N 3.21Å; A212-E215 PolarHBondContact O-N 2.98Å; A212-H216 PolarHBondContact O-N 2.97Å; A212-H216 PolarHBondContact O-ND1 3.35Å; A212-I232 HydrophobicContact CB-CG2 4.16Å; A212-E237 HydrophobicContact CB-CB 4.17Å; A212-I238 HydrophobicContact CB-CD1 3.81Å
213F90.8Very high83.8Confident51 Ų5172.8 Ų72.822%0.22434%0.344CS..Hα-helixtrans-61.8-45.1176.7179-92.3000112.7Y109 I209 R210 I211 H216 Q217 I232Y109-F213 HydrophobicContact CD1-CB 4.11Å; Y109-F213 HydrophobicContact CD1-CD1 4.28Å; Y109-F213 AromaticContact CD1-CD2 3.71Å; Y109-F213 HydrophobicContact CD1-CD2 3.71Å; Y109-F213 HydrophobicContact CD1-CE2 4.17Å; Y109-F213 AromaticContact CD1-CG 3.77Å; Y109-F213 HydrophobicContact CD1-CG 3.77Å; Y109-F213 HydrophobicContact CE1-CB 4.03Å; Y109-F213 AromaticContact CE1-CD1 3.66Å; Y109-F213 HydrophobicContact CE1-CD1 3.66Å; Y109-F213 AromaticContact CE1-CD2 3.95Å; Y109-F213 HydrophobicContact CE1-CD2 3.95Å; Y109-F213 HydrophobicContact CE1-CE1 4.04Å; Y109-F213 HydrophobicContact CE1-CE2 4.32Å; Y109-F213 AromaticContact CE1-CG 3.6Å; Y109-F213 HydrophobicContact CE1-CG 3.6Å; Y109-F213 HydrophobicContact CE1-CZ 4.35Å; I209-F213 WeakPolarHBondContact O-CB 3.36Å; I209-F213 PolarHBondContact O-N 3.41Å; R210-F213 PolarHBondContact O-N 2.98Å; I211-F213 VanDerWaalsContact C-N 3.29Å; I211-F213 PolarHBondContact O-N 3.38Å; F213-H216 PolarHBondContact O-N 3.44Å; F213-Q217 HydrophobicContact CD1-CG 4.45Å; F213-Q217 HydrophobicContact CE1-CG 4.06Å; F213-Q217 HydrophobicContact CZ-CG 4.27Å; F213-Q217 PolarHBondContact O-N 2.98Å; F213-I232 HydrophobicContact CB-CD1 3.75Å; F213-I232 HydrophobicContact CD2-CD1 3.83Å; F213-I232 HydrophobicContact CG-CD1 4.28Å
214L90.5Very high81.7Confident70 Ų7079.1 Ų79.137%0.36638%0.375SS..Hα-helixtrans-67.1-37.6177.9-68.5174.5000112.1R210 I211 H216 Q217 N218R210-L214 HydrophobicContact CG-CD1 4.05Å; R210-L214 HydrophobicContact CG-CG 4.37Å; R210-L214 WeakPolarHBondContact O-CG 3.19Å; R210-L214 PolarHBondContact O-N 3.32Å; I211-L214 PolarHBondContact O-N 2.98Å; I211-L214 VanDerWaalsContact O-N 3.15Å; L214-H216 VanDerWaalsContact C-N 3.34Å; L214-H216 PolarHBondContact O-N 3.35Å; L214-Q217 PolarHBondContact O-N 3.22Å; L214-N218 WeakPolarHBondContact O-CB 3.46Å; L214-N218 VanDerWaalsContact O-CG 3.3Å; L214-N218 PolarHBondContact O-N 3.37Å; L214-N218 PolarHBondContact O-ND2 3.08Å
215E87.4Confident79.2Confident105 Ų10586.7 Ų86.749%0.49140%0.401SS..Hα-helixtrans-60.9-42.8174-72.9177.5172.600111.6I211 A212 N218 Q219I211-E215 WeakPolarHBondContact O-CG 3.48Å; I211-E215 PolarHBondContact O-N 3.22Å; A212-E215 PolarHBondContact O-N 2.98Å; E215-N218 PolarHBondContact O-N 3.18Å; E215-Q219 VanDerWaalsContact O-CG 3.29Å; E215-Q219 WeakPolarHBondContact O-CG 3.47Å; E215-Q219 PolarHBondContact O-N 2.79Å
216H83.1Confident76.7Confident42 Ų4293.3 Ų93.319%0.19445%0.445CS..Hα-helixtrans-64.9-41.8176-77.865.4000112.2A212 F213 L214 Q219 L220A212-H216 PolarHBondContact O-N 2.97Å; A212-H216 PolarHBondContact O-ND1 3.35Å; F213-H216 PolarHBondContact O-N 3.44Å; L214-H216 VanDerWaalsContact C-N 3.34Å; L214-H216 PolarHBondContact O-N 3.35Å; H216-Q219 PolarHBondContact O-N 3.33Å; H216-L220 WeakPolarHBondContact O-CB 3.1Å; H216-L220 WeakPolarHBondContact O-CG 3.42Å; H216-L220 PolarHBondContact O-N 3.18Å
217Q78.4Confident74.3Confident81 Ų8196.8 Ų96.838%0.37947%0.471SS..Hα-helixtrans-64.4-39.5175.8-75.9-166.2-19.500112.6F213 L214 L220 N221F213-Q217 HydrophobicContact CD1-CG 4.45Å; F213-Q217 HydrophobicContact CE1-CG 4.06Å; F213-Q217 HydrophobicContact CZ-CG 4.27Å; F213-Q217 PolarHBondContact O-N 2.98Å; L214-Q217 PolarHBondContact O-N 3.22Å; Q217-L220 WeakPolarHBondContact O-CB 3.47Å; Q217-L220 PolarHBondContact O-N 3.3Å; Q217-N221 PolarHBondContact O-N 2.93Å; Q217-N221 VanDerWaalsContact O-N 3.14Å
218N77Confident71.9Confident110 Ų11093.3 Ų93.359%0.58846%0.461SS*.Hα-helixtrans-69-37.1178.3-73.8-25.3000112.3L214 E215 N221L214-N218 WeakPolarHBondContact O-CB 3.46Å; L214-N218 VanDerWaalsContact O-CG 3.3Å; L214-N218 PolarHBondContact O-N 3.37Å; L214-N218 PolarHBondContact O-ND2 3.08Å; E215-N218 PolarHBondContact O-N 3.18Å; N218-N221 PolarHBondContact O-N 2.92Å
219Q69Low69.9Low110 Ų11098.2 Ų98.251%0.51448%0.483SS..Hα-helixtrans-65.4-40.4173.6-71.7171.720.300111.7E215 H216 N221 Y222 D223E215-Q219 VanDerWaalsContact O-CG 3.29Å; E215-Q219 WeakPolarHBondContact O-CG 3.47Å; E215-Q219 PolarHBondContact O-N 2.79Å; H216-Q219 PolarHBondContact O-N 3.33Å; Q219-N221 VanDerWaalsContact C-N 3.3Å; Q219-N221 PolarHBondContact O-N 3.49Å; Q219-Y222 PolarHBondContact O-N 2.57Å; Q219-Y222 VanDerWaalsContact O-N 3.08Å; Q219-D223 PolarHBondContact O-N 3.31Å
220L57.2Low68.6Low54 Ų54103.6 Ų103.628%0.28351%0.508SS..Hα-helixtrans-60.4-35.4174.8-88.3164.9000113.5H216 Q217 Y222 C228 E230H216-L220 WeakPolarHBondContact O-CB 3.1Å; H216-L220 WeakPolarHBondContact O-CG 3.42Å; H216-L220 PolarHBondContact O-N 3.18Å; Q217-L220 WeakPolarHBondContact O-CB 3.47Å; Q217-L220 PolarHBondContact O-N 3.3Å; L220-Y222 PolarHBondContact O-N 3.27Å; L220-C228 HydrophobicContact CD2-CB 3.26Å; L220-C228 WeakPolarHBondContact CD2-O 3.2Å; L220-C228 HydrophobicContact CG-CB 3.84Å; L220-E230 HydrophobicContact CD1-CG 4.48Å
221N56.7Low68.2Low140 Ų14098 Ų9875%0.74949%0.49SS*.Hα-helixtrans-66.9-21.3176.2-78.7-28.9000113.1Q217 N218 Q219Q217-N221 PolarHBondContact O-N 2.93Å; Q217-N221 VanDerWaalsContact O-N 3.14Å; N218-N221 PolarHBondContact O-N 2.92Å; Q219-N221 VanDerWaalsContact C-N 3.3Å; Q219-N221 PolarHBondContact O-N 3.49Å
222Y55.3Low68.1Low207 Ų20793.8 Ų93.881%0.81247%0.468SS*.Hα-helixtrans-94.9-36.3178.2-162-95.2000112.4Q219 L220Q219-Y222 PolarHBondContact O-N 2.57Å; Q219-Y222 VanDerWaalsContact O-N 3.08Å; L220-Y222 PolarHBondContact O-N 3.27Å
223D50.9Low68.2Low66 Ų6696.4 Ų96.435%0.35348%0.48SS..  trans-94.4102.4177.9-82.9-35.6000111.3Q219 R225Q219-D223 PolarHBondContact O-N 3.31Å; D223-R225 HydrophobicContact CB-CG 4.45Å; D223-R225 PolarHBondContact O-N 3.33Å
224L53.2Low68.4Low179 Ų17994 Ų9494%0.93747%0.469SS*.  trans-6323.3167.8-71.5168.4000113.8
225R44.6Very low68.7Low165 Ų16591.5 Ų91.562%0.62346%0.456SS*.  trans-88.4122.6179.3-63.3-172.4-171.2-170.34109.1D223 S227D223-R225 HydrophobicContact CB-CG 4.45Å; D223-R225 PolarHBondContact O-N 3.33Å; R225-S227 PolarHBondContact O-N 2.91Å
226P47Very low69.1Low142 Ų14292.6 Ų92.692%0.92246%0.455SS*.THydrogen-bonded Turntrans-62.8-3.1176.9-18.729.8000114.7
227S46.5Very low69.6Low88 Ų8892.9 Ų92.962%0.61546%0.457SS*.THydrogen-bonded Turntrans-107.1-2.3-167.5660000115R225 K229R225-S227 PolarHBondContact O-N 2.91Å; S227-K229 PolarHBondContact O-N 2.99Å
228C46.4Very low70.6Confident51 Ų5189.1 Ų89.135%0.34544%0.439SS..  trans-70.784.5169.2-99.50000107.7L220 E230L220-C228 HydrophobicContact CD2-CB 3.26Å; L220-C228 WeakPolarHBondContact CD2-O 3.2Å; L220-C228 HydrophobicContact CG-CB 3.84Å; C228-E230 PolarHBondContact O-N 2.79Å
229K55.5Low71.6Confident165 Ų16583.9 Ų83.972%0.71741%0.411SS*.  trans-60.4135.7175.1-69.8178.8175.9177.50107.3S227 T231S227-K229 PolarHBondContact O-N 2.99Å; K229-T231 WeakPolarHBondContact CB-OG1 3.49Å; K229-T231 PolarHBondContact O-N 3.29Å
230E68Low72.9Confident113 Ų11382.7 Ų82.753%0.52841%0.405SS..  trans-62.525.5170.7-58.2174.515000112.8L220 C228 I232L220-E230 HydrophobicContact CD1-CG 4.48Å; C228-E230 PolarHBondContact O-N 2.79Å; E230-I232 PolarHBondContact O-N 2.87Å
231T86.6Confident74.8Confident26 Ų2684.2 Ų84.216%0.1642%0.419CS..  trans-85.6107.2-173.5-55.90000109.4S101 L102 G103 K229 H233S101-T231 PolarHBondContact O-OG1 3.08Å; L102-T231 WeakPolarHBondContact O-CA 3.45Å; G103-T231 VanDerWaalsContact CA-CG2 3.46Å; K229-T231 WeakPolarHBondContact CB-OG1 3.49Å; K229-T231 PolarHBondContact O-N 3.29Å; T231-H233 WeakPolarHBondContact CG2-NE2 3.49Å
232I93Very high76.8Confident1 Ų177.8 Ų77.81%0.00538%0.384CS..  trans-103.4124.5176.6-50.9174.1000108.2L102 G103 T104 A105 G106 A212 F213 E230 E237L102-I232 PolarHBondContact O-N 2.8Å; G103-I232 CarbonylContact C-O 3.57Å; G103-I232 VanDerWaalsContact C-O 3.25Å; G103-I232 WeakPolarHBondContact CA-O 3.32Å; T104-I232 PolarHBondContact N-O 3.39Å; T104-I232 VanDerWaalsContact N-O 3.11Å; A105-I232 HydrophobicContact CB-CB 4.25Å; A105-I232 HydrophobicContact CB-CG2 3.83Å; A105-I232 PolarHBondContact N-O 3.03Å; G106-I232 PolarHBondContact N-O 3.08Å; A212-I232 HydrophobicContact CB-CG2 4.16Å; F213-I232 HydrophobicContact CB-CD1 3.75Å; F213-I232 HydrophobicContact CD2-CD1 3.83Å; F213-I232 HydrophobicContact CG-CD1 4.28Å; E230-I232 PolarHBondContact O-N 2.87Å; I232-E237 HydrophobicContact CG2-CB 3.71Å; I232-E237 HydrophobicContact CG2-CG 4.17Å
233H94.3Very high78.8Confident58 Ų5869 Ų6927%0.26935%0.354SS..  trans-99.1132.3176.3-58.7-82000111.2T104 T231 E235 R236 E237T104-H233 WeakPolarHBondContact OG1-CA 3.37Å; T231-H233 WeakPolarHBondContact CG2-NE2 3.49Å; H233-E235 PolarHBondContact O-N 3.12Å; H233-R236 HydrophobicContact CB-CB 4.43Å; H233-R236 PolarHBondContact O-N 3.38Å; H233-E237 WeakPolarHBondContact CA-OE2 3.25Å; H233-E237 WeakPolarHBondContact CB-OE2 3.35Å; H233-E237 IonicContact CD2-OE2 3.93Å; H233-E237 IonicContact CG-OE2 3.43Å; H233-E237 PolarHBondContact N-OE2 3.43Å; H233-E237 WeakPolarHBondContact O-CB 3.47Å; H233-E237 PolarHBondContact O-N 3.02Å
234L96Very high81Confident0 Ų068 Ų680%036%0.36CS..Iπ-helixtrans-56.8-41.5175.8-170.467.1000110.9T104 A105 V125 Y199 F201 I238 C239T104-L234 PolarHBondContact OG1-N 3.17Å; A105-L234 HydrophobicContact CB-CB 4.28Å; A105-L234 HydrophobicContact CB-CD1 4.4Å; V125-L234 HydrophobicContact CG1-CD2 4.3Å; Y199-L234 HydrophobicContact CD1-CD2 4.28Å; Y199-L234 HydrophobicContact CD2-CD2 3.5Å; Y199-L234 HydrophobicContact CE1-CD2 4.09Å; Y199-L234 HydrophobicContact CE2-CD2 3.3Å; Y199-L234 HydrophobicContact CE2-CG 4.48Å; Y199-L234 HydrophobicContact CG-CD2 4Å; F201-L234 HydrophobicContact CE2-CD1 4.07Å; F201-L234 HydrophobicContact CE2-CD2 4.15Å; F201-L234 HydrophobicContact CZ-CD1 4.04Å; F201-L234 HydrophobicContact CZ-CD2 4.2Å; F201-L234 HydrophobicContact CZ-CG 4.5Å; L234-I238 HydrophobicContact CD1-CB 3.92Å; L234-I238 HydrophobicContact CD1-CG1 4.03Å; L234-I238 HydrophobicContact CD1-CG2 4.04Å; L234-I238 CarbonylContact O-C 3.55Å; L234-I238 WeakPolarHBondContact O-CA 3.3Å; L234-I238 VanDerWaalsContact O-CB 3.28Å; L234-I238 WeakPolarHBondContact O-CB 3.43Å; L234-I238 PolarHBondContact O-N 2.87Å; L234-C239 PolarHBondContact O-N 2.89Å; L234-C239 PolarHBondContact O-SG 2.75Å; L234-C239 VanDerWaalsContact O-SG 3.4Å
235E96.5Very high83.1Confident19 Ų1962.1 Ų62.19%0.08933%0.334CS..Iπ-helixtrans-67.5-44.5-176.4-62.183.9175.400113T104 Y182 E184 Y199 H233 Q240T104-E235 PolarHBondContact OG1-OE2 3.45Å; T104-E235 VanDerWaalsContact OG1-OE2 3.11Å; Y182-E235 HydrophobicContact CE1-CB 4.21Å; Y182-E235 WeakPolarHBondContact CE1-O 3.42Å; Y182-E235 WeakPolarHBondContact OH-CB 2.82Å; Y182-E235 WeakPolarHBondContact OH-CG 3.4Å; E184-E235 HydrophobicContact CB-CB 4.3Å; E184-E235 HydrophobicContact CG-CB 4.06Å; E184-E235 WeakPolarHBondContact OE2-CB 3.36Å; Y199-E235 PolarHBondContact OH-OE1 3.23Å; H233-E235 PolarHBondContact O-N 3.12Å; E235-Q240 PolarHBondContact O-N 3.03Å
236R95.1Very high85.6Confident128 Ų12855.1 Ų55.148%0.48331%0.313SS..Iπ-helixtrans-91-44.2-173-74.3176178-173.5-4.6113.2E184 H233 Q240E184-R236 HydrophobicContact CB-CG 3.55Å; E184-R236 HydrophobicContact CG-CG 3.77Å; H233-R236 HydrophobicContact CB-CB 4.43Å; H233-R236 PolarHBondContact O-N 3.38Å; R236-Q240 WeakPolarHBondContact O-CB 3.24Å
237E95.4Very high88Confident47 Ų4749.5 Ų49.522%0.2228%0.276CS..Iπ-helixtrans-95.5-12.2-171.9-67.972-146.900112.5A212 I232 H233 P241A212-E237 HydrophobicContact CB-CB 4.17Å; I232-E237 HydrophobicContact CG2-CB 3.71Å; I232-E237 HydrophobicContact CG2-CG 4.17Å; H233-E237 WeakPolarHBondContact CA-OE2 3.25Å; H233-E237 WeakPolarHBondContact CB-OE2 3.35Å; H233-E237 IonicContact CD2-OE2 3.93Å; H233-E237 IonicContact CG-OE2 3.43Å; H233-E237 PolarHBondContact N-OE2 3.43Å; H233-E237 WeakPolarHBondContact O-CB 3.47Å; H233-E237 PolarHBondContact O-N 3.02Å; E237-P241 WeakPolarHBondContact O-CG 3.36Å
238I97.6Very high90.5Very high2 Ų245.4 Ų45.41%0.0125%0.247CC..Iπ-helixtrans-119.4-60.2-179.5-46.1-63.6000111.9A105 I205 I209 A212 L234 Q240 P241 L242A105-I238 HydrophobicContact CB-CG1 3.9Å; I205-I238 HydrophobicContact CD1-CG2 3.71Å; I209-I238 HydrophobicContact CB-CD1 4.09Å; I209-I238 HydrophobicContact CG1-CD1 3.74Å; I209-I238 HydrophobicContact CG1-CG1 4.16Å; I209-I238 HydrophobicContact CG2-CD1 4.4Å; A212-I238 HydrophobicContact CB-CD1 3.81Å; L234-I238 HydrophobicContact CD1-CB 3.92Å; L234-I238 HydrophobicContact CD1-CG1 4.03Å; L234-I238 HydrophobicContact CD1-CG2 4.04Å; L234-I238 CarbonylContact O-C 3.55Å; L234-I238 WeakPolarHBondContact O-CA 3.3Å; L234-I238 VanDerWaalsContact O-CB 3.28Å; L234-I238 WeakPolarHBondContact O-CB 3.43Å; L234-I238 PolarHBondContact O-N 2.87Å; I238-Q240 VanDerWaalsContact C-N 3.34Å; I238-Q240 PolarHBondContact O-N 3.43Å; I238-P241 WeakPolarHBondContact O-CD 3.17Å; I238-L242 HydrophobicContact CG2-CD1 3.74Å; I238-L242 WeakPolarHBondContact O-CB 3.36Å; I238-L242 WeakPolarHBondContact O-CD1 3.41Å; I238-L242 WeakPolarHBondContact O-CG 3.47Å; I238-L242 PolarHBondContact O-N 3.49Å; I238-L242 VanDerWaalsContact O-N 3.12Å
239C98.1Very high93Very high0 Ų043.7 Ų43.70%023%0.234CC..Iπ-helixtrans-62.8-40.5-177.7-64.60000112.3Y182 L234 L242 A243 L248Y182-C239 HydrophobicContact CD1-CB 4.13Å; Y182-C239 HydrophobicContact CD2-CB 4.11Å; Y182-C239 HydrophobicContact CE1-CB 4.11Å; Y182-C239 HydrophobicContact CE2-CB 4.07Å; Y182-C239 HydrophobicContact CG-CB 4.15Å; L234-C239 PolarHBondContact O-N 2.89Å; L234-C239 PolarHBondContact O-SG 2.75Å; L234-C239 VanDerWaalsContact O-SG 3.4Å; C239-L242 PolarHBondContact O-N 2.93Å; C239-A243 PolarHBondContact O-N 2.94Å; C239-L248 HydrophobicContact CB-CD2 4.24Å
240Q97.6Very high95Very high85 Ų8535.9 Ų35.940%0.39720%0.2SC..Hα-helixtrans-65.5-48.3-180-177.5172.1-42.300113.2Y182 E235 R236 I238 L242 A243Y182-Q240 HydrophobicContact CD1-CB 3.96Å; Y182-Q240 WeakPolarHBondContact O-CG 3.46Å; E235-Q240 PolarHBondContact O-N 3.03Å; R236-Q240 WeakPolarHBondContact O-CB 3.24Å; I238-Q240 VanDerWaalsContact C-N 3.34Å; I238-Q240 PolarHBondContact O-N 3.43Å; Q240-L242 VanDerWaalsContact C-N 3.3Å; Q240-L242 PolarHBondContact O-N 2.76Å; Q240-A243 WeakPolarHBondContact O-CB 3.27Å; Q240-A243 PolarHBondContact O-N 3.31Å
241P96.7Very high96.5Very high87 Ų8732.4 Ų32.457%0.56518%0.183SC*.Hα-helixtrans-66.5-25.7173.7-26.437.2000115.1E237 I238 A243E237-P241 WeakPolarHBondContact O-CG 3.36Å; I238-P241 WeakPolarHBondContact O-CD 3.17Å; P241-A243 VanDerWaalsContact C-N 3.31Å
242L98.1Very high97.1Very high4 Ų433.9 Ų33.92%0.02119%0.187CC..Hα-helixtrans-76.4-18176.2-70.5172.5000113.1F152 I205 F208 I238 C239 Q240 G244 S245 T247 L248F152-L242 HydrophobicContact CD2-CD1 3.79Å; F152-L242 HydrophobicContact CD2-CD2 4.25Å; F152-L242 HydrophobicContact CE2-CD1 4.09Å; F152-L242 HydrophobicContact CE2-CD2 4.03Å; I205-L242 HydrophobicContact CD1-CD1 3.88Å; F208-L242 HydrophobicContact CB-CD2 4.49Å; F208-L242 HydrophobicContact CD1-CD2 3.46Å; F208-L242 VanDerWaalsContact CD1-CD2 3.46Å; F208-L242 HydrophobicContact CD2-CD2 4.1Å; F208-L242 HydrophobicContact CE1-CD2 3.51Å; F208-L242 HydrophobicContact CE2-CD2 4.16Å; F208-L242 HydrophobicContact CG-CD2 3.76Å; F208-L242 HydrophobicContact CZ-CD2 3.86Å; I238-L242 HydrophobicContact CG2-CD1 3.74Å; I238-L242 WeakPolarHBondContact O-CB 3.36Å; I238-L242 WeakPolarHBondContact O-CD1 3.41Å; I238-L242 WeakPolarHBondContact O-CG 3.47Å; I238-L242 PolarHBondContact O-N 3.49Å; I238-L242 VanDerWaalsContact O-N 3.12Å; C239-L242 PolarHBondContact O-N 2.93Å; Q240-L242 VanDerWaalsContact C-N 3.3Å; Q240-L242 PolarHBondContact O-N 2.76Å; L242-G244 PolarHBondContact O-N 2.92Å; L242-S245 VanDerWaalsContact O-CB 3.31Å; L242-S245 WeakPolarHBondContact O-CB 3.34Å; L242-S245 PolarHBondContact O-N 3.32Å; L242-S245 PolarHBondContact O-OG 3.32Å; L242-T247 WeakPolarHBondContact CD2-OG1 3.29Å; L242-L248 HydrophobicContact CB-CB 4Å; L242-L248 HydrophobicContact CB-CD2 4.17Å
243A98.2Very high97.3Very high22 Ų2234 Ų3418%0.18219%0.188CC..THydrogen-bonded Turntrans-63.9132.8176.200000111V179 C239 Q240 P241 S245V179-A243 HydrophobicContact CG1-CB 3.8Å; V179-A243 CarbonylContact O-C 3.6Å; V179-A243 VanDerWaalsContact O-CA 3.25Å; V179-A243 WeakPolarHBondContact O-CA 3.4Å; C239-A243 PolarHBondContact O-N 2.94Å; Q240-A243 WeakPolarHBondContact O-CB 3.27Å; Q240-A243 PolarHBondContact O-N 3.31Å; P241-A243 VanDerWaalsContact C-N 3.31Å; A243-S245 PolarHBondContact O-N 2.77Å
244G97.3Very high97.2Very high45 Ų4538.4 Ų38.446%0.46421%0.214SC..THydrogen-bonded Turntrans71.910.2-177.200000114.7E178 V179 L242E178-G244 WeakPolarHBondContact OE1-CA 3.31Å; V179-G244 PolarHBondContact O-N 3.48Å; L242-G244 PolarHBondContact O-N 2.92Å
245S96.6Very high97.2Very high56 Ų5642.4 Ų42.439%0.39223%0.229SC..THydrogen-bonded Turntrans-89.8-3.8177.671.70000113.9L242 A243 T247L242-S245 VanDerWaalsContact O-CB 3.31Å; L242-S245 WeakPolarHBondContact O-CB 3.34Å; L242-S245 PolarHBondContact O-N 3.32Å; L242-S245 PolarHBondContact O-OG 3.32Å; A243-S245 PolarHBondContact O-N 2.77Å; S245-T247 VanDerWaalsContact C-N 3.28Å; S245-T247 PolarHBondContact O-N 3.34Å; S245-T247 PolarHBondContact OG-N 3.32Å; S245-T247 PolarHBondContact OG-OG1 3.49Å
246G96.5Very high97.1Very high19 Ų1943.1 Ų43.120%0.19623%0.232CC..THydrogen-bonded Turntrans75.97-17100000114.8R151 E178 F249R151-G246 PolarHBondContact NH1-O 3.27Å; E178-G246 WeakPolarHBondContact OE1-CA 3.44Å; E178-G246 PolarHBondContact OE1-N 3.12Å; G246-F249 WeakPolarHBondContact O-CZ 3.47Å
247T98Very high97.2Very high24 Ų2437.5 Ų37.515%0.14721%0.211CC..  trans-114.3-23.1-173.365.50000115.3D150 F152 L242 S245 F249D150-T247 WeakPolarHBondContact O-CB 3.43Å; F152-T247 PolarHBondContact N-O 2.65Å; L242-T247 WeakPolarHBondContact CD2-OG1 3.29Å; S245-T247 VanDerWaalsContact C-N 3.28Å; S245-T247 PolarHBondContact O-N 3.34Å; S245-T247 PolarHBondContact OG-N 3.32Å; S245-T247 PolarHBondContact OG-OG1 3.49Å; T247-F249 WeakPolarHBondContact O-CD2 3.31Å; T247-F249 WeakPolarHBondContact O-CE2 3.42Å
248L98.7Very high97.1Very high1 Ų135.6 Ų35.61%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-105.5129.3-178.4-176.766.5000110.9F152 I154 V179 C239 L242F152-L248 HydrophobicContact CB-CD1 3.75Å; I154-L248 HydrophobicContact CB-CD1 4.33Å; I154-L248 HydrophobicContact CG2-CD1 4.39Å; I154-L248 HydrophobicContact CG2-CG 4.49Å; V179-L248 HydrophobicContact CB-CB 4.3Å; V179-L248 HydrophobicContact CB-CD2 4.03Å; V179-L248 HydrophobicContact CB-CG 4.03Å; V179-L248 HydrophobicContact CG1-CD2 4.12Å; V179-L248 HydrophobicContact CG2-CB 4.46Å; V179-L248 HydrophobicContact CG2-CD2 4Å; V179-L248 HydrophobicContact CG2-CG 3.77Å; V179-L248 PolarHBondContact N-O 3.4Å; C239-L248 HydrophobicContact CB-CD2 4.24Å; L242-L248 HydrophobicContact CB-CB 4Å; L242-L248 HydrophobicContact CB-CD2 4.17Å
249F98.8Very high96.8Very high16 Ų1637.5 Ų37.57%0.0721%0.211CC..EExtended strand (participates in β ladder)trans-130.1154.5-175.3-60-97.1000111.6L146 F152 L153 I154 T176 H177 E178 G246 T247L146-F249 HydrophobicContact CD1-CB 3.85Å; L146-F249 HydrophobicContact CD1-CD1 4.45Å; L146-F249 HydrophobicContact CD1-CD2 3.63Å; L146-F249 HydrophobicContact CD1-CE2 4.32Å; L146-F249 HydrophobicContact CD1-CG 3.72Å; L146-F249 HydrophobicContact CD2-CB 4.39Å; L146-F249 HydrophobicContact CD2-CD1 3.81Å; L146-F249 HydrophobicContact CD2-CD2 4.35Å; L146-F249 HydrophobicContact CD2-CE1 4.17Å; L146-F249 HydrophobicContact CD2-CG 3.92Å; L146-F249 HydrophobicContact CG-CG 4.49Å; F152-F249 PolarHBondContact O-N 2.98Å; L153-F249 CarbonylContact C-O 3.6Å; L153-F249 VanDerWaalsContact CA-O 3.32Å; L153-F249 WeakPolarHBondContact CA-O 3.31Å; L153-F249 HydrophobicContact CD2-CB 3.85Å; I154-F249 WeakPolarHBondContact CG2-O 3.34Å; I154-F249 PolarHBondContact N-O 2.74Å; T176-F249 WeakPolarHBondContact O-CD1 3.29Å; H177-F249 CarbonylContact O-C 3.52Å; H177-F249 WeakPolarHBondContact O-CA 3.49Å; E178-F249 HydrophobicContact CB-CD1 4.18Å; E178-F249 HydrophobicContact CB-CE1 4.02Å; G246-F249 WeakPolarHBondContact O-CZ 3.47Å; T247-F249 WeakPolarHBondContact O-CD2 3.31Å; T247-F249 WeakPolarHBondContact O-CE2 3.42Å
250V98.7Very high96.6Very high1 Ų137.5 Ų37.51%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-98133.2-177.7-170.90000110.9F142 I154 A156 I170 E172 H177 V179F142-V250 WeakPolarHBondContact CE1-O 3.42Å; F142-V250 WeakPolarHBondContact CZ-O 3.27Å; I154-V250 HydrophobicContact CG2-CG2 4.16Å; A156-V250 HydrophobicContact CB-CG1 3.5Å; A156-V250 VanDerWaalsContact CB-CG1 3.5Å; I170-V250 HydrophobicContact CG2-CG2 3.57Å; E172-V250 HydrophobicContact CB-CG2 3.91Å; H177-V250 PolarHBondContact O-N 2.82Å; V179-V250 HydrophobicContact CG2-CG2 3.37Å
251Y98.7Very high96.1Very high39 Ų3935.8 Ų35.815%0.15320%0.203CC..EExtended strand (participates in β ladder)trans-107.7115160.5179-89.3000109.3P135 E138 M139 F142 I154 M155 A156P135-Y251 HydrophobicContact CB-CE1 3.94Å; P135-Y251 HydrophobicContact CG-CD1 4.33Å; P135-Y251 HydrophobicContact CG-CE1 3.61Å; E138-Y251 HydrophobicContact CB-CE2 4.06Å; E138-Y251 WeakPolarHBondContact CB-OH 3.28Å; M139-Y251 HydrophobicContact CG-CD1 3.5Å; M139-Y251 HydrophobicContact CG-CD2 4.19Å; M139-Y251 HydrophobicContact CG-CE1 3.9Å; M139-Y251 HydrophobicContact CG-CG 3.68Å; M139-Y251 HydrophobicContact SD-CD1 4.32Å; F142-Y251 HydrophobicContact CB-CD2 3.74Å; F142-Y251 HydrophobicContact CB-CE2 4.13Å; F142-Y251 HydrophobicContact CD1-CD2 4.13Å; F142-Y251 HydrophobicContact CD2-CD2 4.3Å; F142-Y251 AromaticContact CG-CD2 3.8Å; F142-Y251 HydrophobicContact CG-CD2 3.8Å; I154-Y251 PolarHBondContact O-N 3.46Å; M155-Y251 CarbonylContact C-O 3.47Å; M155-Y251 WeakPolarHBondContact CA-O 3.46Å; M155-Y251 HydrophobicContact CG-CD1 4.31Å; A156-Y251 PolarHBondContact N-O 3.06Å
252H98.1Very high95.7Very high57 Ų5732.9 Ų32.926%0.26418%0.181SC..EExtended strand (participates in β ladder)trans-85.6125.5178.5-81.9-88.9000112.1E172 T193E172-H252 VanDerWaalsContact CD-NE2 3.25Å; E172-H252 IonicContact OE1-CD2 2.67Å; E172-H252 IonicContact OE1-CE1 2.75Å; E172-H252 IonicContact OE1-NE2 2.86Å; E172-H252 PolarHBondContact OE1-NE2 3.08Å; E172-H252 IonicContact OE2-CD2 3.24Å; E172-H252 IonicContact OE2-NE2 2.63Å; E172-H252 PolarHBondContact OE2-NE2 3.2Å; T193-H252 WeakPolarHBondContact CG2-CE1 3.16Å
253T97.1Very high95.1Very high3 Ų333.1 Ų33.12%0.01818%0.184CC..  trans-107.3132.9171.8-168.80000111.9M155 A156 T157 R255M155-T253 HydrophobicContact CE-CG2 3.93Å; M155-T253 HydrophobicContact CG-CG2 3.87Å; M155-T253 HydrophobicContact SD-CG2 3.68Å; A156-T253 PolarHBondContact O-N 3.11Å; T157-T253 PolarHBondContact OG1-O 2.88Å; T157-T253 VanDerWaalsContact OG1-O 3.12Å; T253-R255 WeakPolarHBondContact OG1-CB 3.19Å; T253-R255 PolarHBondContact OG1-N 2.82Å; T253-R255 VanDerWaalsContact OG1-N 3.08Å
254N94.3Very high94.5Very high152 Ų15232.3 Ų32.381%0.81318%0.177SC*.  trans-95.31.3166.3-66.7-43.9000112
255R95.2Very high94.3Very high84 Ų8430.1 Ų30.132%0.31716%0.155SC..SBendtrans-73.4163.1178.1-59.9-170.2176.4-175.12.6111D133 E138 T253 W257D133-R255 HydrophobicContact CB-CB 4.11Å; D133-R255 WeakPolarHBondContact O-CB 3.43Å; D133-R255 WeakPolarHBondContact O-CD 3.42Å; D133-R255 IonicContact OD1-NH1 3.08Å; D133-R255 PolarHBondContact OD1-NH1 3.17Å; E138-R255 VanDerWaalsContact CD-NH2 3.31Å; E138-R255 IonicContact OE1-CZ 3.53Å; E138-R255 IonicContact OE1-NH1 3.95Å; E138-R255 IonicContact OE1-NH2 3.08Å; E138-R255 PolarHBondContact OE1-NH2 3.42Å; E138-R255 IonicContact OE2-NH1 3.54Å; E138-R255 IonicContact OE2-NH2 3.05Å; T253-R255 WeakPolarHBondContact OG1-CB 3.19Å; T253-R255 PolarHBondContact OG1-N 2.82Å; T253-R255 VanDerWaalsContact OG1-N 3.08Å; R255-W257 PolarHBondContact O-N 2.95Å
256F94.8Very high94.2Very high34 Ų3427.5 Ų27.515%0.14914%0.137CC..  trans-56.4130175.4169.4-106.1000110.8C131 C132 D133 Y268 H272 I273C131-F256 HydrophobicContact CB-CE1 4.38Å; C132-F256 VanDerWaalsContact CA-O 3.28Å; C132-F256 WeakPolarHBondContact CA-O 3.43Å; C132-F256 PolarHBondContact SG-O 2.81Å; D133-F256 PolarHBondContact N-O 2.78Å; F256-Y268 HydrophobicContact CE2-CD1 4.26Å; F256-Y268 AromaticContact CE2-CE1 3.58Å; F256-Y268 HydrophobicContact CE2-CE1 3.58Å; F256-Y268 AromaticContact CE2-CZ 3.95Å; F256-Y268 HydrophobicContact CZ-CD1 4.48Å; F256-Y268 HydrophobicContact CZ-CE1 4.2Å; F256-H272 HydrophobicContact CD1-CB 3.7Å; F256-H272 HydrophobicContact CD2-CB 3.64Å; F256-H272 AromaticContact CD2-CD2 3.68Å; F256-H272 AromaticContact CD2-CE1 4Å; F256-H272 AromaticContact CD2-CG 3.34Å; F256-H272 AromaticContact CD2-ND1 3.57Å; F256-H272 HydrophobicContact CE1-CB 3.51Å; F256-H272 HydrophobicContact CE2-CB 3.46Å; F256-H272 VanDerWaalsContact CE2-CB 3.46Å; F256-H272 AromaticContact CE2-CD2 3.19Å; F256-H272 WeakPolarHBondContact CE2-CD2 3.45Å; F256-H272 AromaticContact CE2-CG 3.23Å; F256-H272 AromaticContact CE2-ND1 3.92Å; F256-H272 AromaticContact CE2-NE2 3.88Å; F256-H272 HydrophobicContact CG-CB 3.76Å; F256-H272 AromaticContact CG-CG 3.92Å; F256-H272 HydrophobicContact CZ-CB 3.39Å; F256-H272 AromaticContact CZ-CD2 3.82Å; F256-H272 AromaticContact CZ-CG 3.72Å; F256-I273 HydrophobicContact CE1-CD1 4.4Å
257W95.7Very high94.2Very high10 Ų1026.8 Ų26.84%0.03813%0.129CC..EExtended strand (participates in β ladder)trans-146.4136173.4174.993000110.2C131 T157 F167 I194 C196 R255 K408C131-W257 CarbonylContact O-C 3.29Å; C131-W257 WeakPolarHBondContact O-CA 2.95Å; T157-W257 HydrophobicContact CG2-CD2 4.45Å; T157-W257 HydrophobicContact CG2-CE3 4.04Å; F167-W257 HydrophobicContact CD1-CH2 4.01Å; F167-W257 AromaticContact CE1-CH2 3.59Å; F167-W257 HydrophobicContact CE1-CH2 3.59Å; F167-W257 HydrophobicContact CE1-CZ3 4.34Å; F167-W257 HydrophobicContact CZ-CH2 4.09Å; F167-W257 HydrophobicContact CZ-CZ3 4.4Å; I194-W257 HydrophobicContact CD1-CE3 4.48Å; I194-W257 HydrophobicContact CD1-CH2 3.9Å; I194-W257 HydrophobicContact CD1-CZ3 3.63Å; C196-W257 HydrophobicContact CB-CD2 4.39Å; C196-W257 HydrophobicContact CB-CG 4.31Å; C196-W257 HydrophobicContact CB-CZ2 4.4Å; C196-W257 PolarHBondContact O-NE1 3.16Å; R255-W257 PolarHBondContact O-N 2.95Å; W257-K408 HydrophobicContact CE3-CD 4.42Å; W257-K408 HydrophobicContact CZ3-CD 4.46Å
258S94.5Very high94Very high7 Ų727.2 Ų27.25%0.04913%0.128CC..EExtended strand (participates in β ladder)trans-153.2154.4172.8-172.40000111.1C131C131-S258 PolarHBondContact N-O 2.81Å; C131-S258 PolarHBondContact O-N 3.4Å
259Q92.2Very high93.9Very high41 Ų4127.1 Ų27.119%0.19213%0.127CC..EExtended strand (participates in β ladder)trans-103128.8174.1-163.1178.8-16.700111.4D129 K261D129-Q259 WeakPolarHBondContact O-CG 3.35Å; D129-Q259 PolarHBondContact OD1-NE2 3.07Å; D129-Q259 PolarHBondContact OD2-NE2 3.03Å; Q259-K261 VanDerWaalsContact C-N 3.3Å; Q259-K261 HydrophobicContact CB-CG 4.28Å; Q259-K261 HydrophobicContact CG-CG 3.83Å; Q259-K261 PolarHBondContact O-N 3.31Å
260I92.2Very high93.9Very high1 Ų126.4 Ų26.41%0.00512%0.124CC..  trans-83.774.8177.5-53.6161.4000109F30 K39 I44 V49 D129 C131 V266 A269F30-I260 HydrophobicContact CD2-CG2 4.12Å; F30-I260 HydrophobicContact CE2-CG2 3.5Å; F30-I260 VanDerWaalsContact CE2-CG2 3.5Å; F30-I260 HydrophobicContact CZ-CG2 4.34Å; K39-I260 WeakPolarHBondContact CD-O 3.49Å; K39-I260 PolarHBondContact NZ-O 3.44Å; I44-I260 HydrophobicContact CD1-CD1 3.38Å; I44-I260 HydrophobicContact CD1-CG1 4.14Å; V49-I260 HydrophobicContact CB-CD1 4.36Å; V49-I260 HydrophobicContact CG1-CD1 3.78Å; V49-I260 HydrophobicContact CG2-CD1 3.54Å; D129-I260 PolarHBondContact O-N 2.68Å; C131-I260 HydrophobicContact CB-CD1 3.79Å; C131-I260 HydrophobicContact CB-CG1 3.97Å; I260-V266 HydrophobicContact CG2-CG1 3.85Å; I260-A269 HydrophobicContact CG1-CB 4.49Å
261K86.8Confident93.8Very high49 Ų4928.8 Ų28.821%0.21313%0.133CC..  trans-87.3-31.4179.6-74-171.1-174.5171.10113.9Q259Q259-K261 VanDerWaalsContact C-N 3.3Å; Q259-K261 HydrophobicContact CB-CG 4.28Å; Q259-K261 HydrophobicContact CG-CG 3.83Å; Q259-K261 PolarHBondContact O-N 3.31Å
262F88.3Confident93.7Very high25 Ų2529.5 Ų29.511%0.1114%0.138CC..SBendtrans-146.1164.5-171.767-77.9000110.5R29 G264 A265 N398 L409 V411R29-F262 HydrophobicContact CB-CB 4.04Å; R29-F262 VanDerWaalsContact O-CA 3.29Å; R29-F262 WeakPolarHBondContact O-CA 3.44Å; R29-F262 WeakPolarHBondContact O-CB 3.42Å; F262-G264 VanDerWaalsContact C-N 3.34Å; F262-G264 VanDerWaalsContact CD2-N 3.29Å; F262-G264 VanDerWaalsContact CE2-CA 3.49Å; F262-G264 PolarHBondContact O-N 3.03Å; F262-A265 HydrophobicContact CD1-CB 4.15Å; F262-A265 HydrophobicContact CE1-CB 4.03Å; F262-A265 HydrophobicContact CZ-CB 4.4Å; F262-A265 VanDerWaalsContact O-CB 3.27Å; F262-A265 WeakPolarHBondContact O-CB 3.25Å; F262-A265 PolarHBondContact O-N 2.94Å; F262-N398 WeakPolarHBondContact CZ-ND2 3.44Å; F262-L409 HydrophobicContact CE1-CD2 3.47Å; F262-L409 VanDerWaalsContact CE1-CD2 3.47Å; F262-L409 HydrophobicContact CE1-CG 4.22Å; F262-L409 HydrophobicContact CE2-CD2 4.37Å; F262-L409 HydrophobicContact CZ-CD2 3.31Å; F262-L409 HydrophobicContact CZ-CG 3.88Å; F262-V411 HydrophobicContact CD1-CG1 4.26Å; F262-V411 HydrophobicContact CD1-CG2 4.08Å; F262-V411 HydrophobicContact CE1-CB 4.39Å; F262-V411 HydrophobicContact CE1-CG1 4.46Å; F262-V411 HydrophobicContact CE1-CG2 3.75Å
263A86.6Confident93.7Very high9 Ų927 Ų277%0.07413%0.126CC..THydrogen-bonded Turntrans-57.1-42.5-174.500000113.1L33 A265 V266 I425 V427L33-A263 HydrophobicContact CD1-CB 3.77Å; A263-A265 PolarHBondContact O-N 3.15Å; A263-V266 WeakPolarHBondContact O-CG2 3.35Å; A263-V266 PolarHBondContact O-N 2.78Å; A263-I425 HydrophobicContact CB-CD1 4.41Å; A263-V427 HydrophobicContact CB-CG1 4.25Å; A263-V427 HydrophobicContact CB-CG2 3.57Å
264G86.7Confident93.7Very high5 Ų526.9 Ų26.95%0.05213%0.125CC..Hα-helixtrans-56.5-25.1176.300000115.3F262 V266 I425F262-G264 VanDerWaalsContact C-N 3.34Å; F262-G264 VanDerWaalsContact CD2-N 3.29Å; F262-G264 VanDerWaalsContact CE2-CA 3.49Å; F262-G264 PolarHBondContact O-N 3.03Å; G264-V266 PolarHBondContact O-N 3.43Å; G264-I425 VanDerWaalsContact CA-CD1 3.46Å
265A92.4Very high93.9Very high0 Ų021.6 Ų21.60%010%0.1CC..Hα-helixtrans-68.6-22.1176.400000113.5F262 A263 A269 L409F262-A265 HydrophobicContact CD1-CB 4.15Å; F262-A265 HydrophobicContact CE1-CB 4.03Å; F262-A265 HydrophobicContact CZ-CB 4.4Å; F262-A265 VanDerWaalsContact O-CB 3.27Å; F262-A265 WeakPolarHBondContact O-CB 3.25Å; F262-A265 PolarHBondContact O-N 2.94Å; A263-A265 PolarHBondContact O-N 3.15Å; A265-A269 VanDerWaalsContact O-CB 3.28Å; A265-A269 WeakPolarHBondContact O-CB 3.27Å; A265-A269 PolarHBondContact O-N 2.86Å; A265-L409 HydrophobicContact CB-CD2 3.45Å; A265-L409 VanDerWaalsContact CB-CD2 3.45Å
266V94.6Very high94Very high0 Ų018.6 Ų18.60%09%0.091CC..Hα-helixtrans-73.5-32.8-177.5-55.30000112.6F30 F42 I44 I260 A263 G264 A269 N270 I363 V380F30-V266 HydrophobicContact CE2-CG1 3.39Å; F30-V266 HydrophobicContact CZ-CG1 3.63Å; F42-V266 HydrophobicContact CD1-CB 4.42Å; F42-V266 HydrophobicContact CD1-CG1 3.91Å; F42-V266 HydrophobicContact CE1-CB 3.83Å; F42-V266 HydrophobicContact CE1-CG1 3.72Å; F42-V266 HydrophobicContact CE1-CG2 3.8Å; F42-V266 HydrophobicContact CZ-CG2 4.14Å; I44-V266 HydrophobicContact CD1-CB 4.34Å; I44-V266 HydrophobicContact CD1-CG1 4.23Å; I260-V266 HydrophobicContact CG2-CG1 3.85Å; A263-V266 WeakPolarHBondContact O-CG2 3.35Å; A263-V266 PolarHBondContact O-N 2.78Å; G264-V266 PolarHBondContact O-N 3.43Å; V266-A269 PolarHBondContact O-N 3.35Å; V266-N270 WeakPolarHBondContact O-CB 2.95Å; V266-N270 PolarHBondContact O-N 2.83Å; V266-I363 HydrophobicContact CB-CD1 3.88Å; V266-I363 HydrophobicContact CG2-CD1 3.58Å; V266-V380 HydrophobicContact CG2-CG2 3.49Å; V266-V380 VanDerWaalsContact CG2-CG2 3.49Å
267I95.5Very high94.1Very high5 Ų517.1 Ų17.13%0.0268%0.084CC..Hα-helixtrans-65.6-46176.2-62.3-55.2000110.2N270 R271 E361 I363 V380 I425I267-N270 WeakPolarHBondContact O-CB 3.3Å; I267-N270 PolarHBondContact O-N 2.69Å; I267-R271 PolarHBondContact O-N 3.26Å; I267-E361 HydrophobicContact CG2-CB 4.02Å; I267-I363 HydrophobicContact CD1-CD1 4.16Å; I267-I363 HydrophobicContact CD1-CG1 3.93Å; I267-V380 HydrophobicContact CD1-CG2 3.83Å; I267-V380 HydrophobicContact CG1-CG2 4.26Å; I267-I425 HydrophobicContact CG1-CD1 4Å; I267-I425 HydrophobicContact CG1-CG2 4.13Å
268Y94.5Very high94.2Very high32 Ų3222.3 Ų22.313%0.12511%0.108CC..Hα-helixtrans-60.7-47.5175.5-178.3-110.5000111.7F256 N270 R271 H272 D399 P400 L409F256-Y268 HydrophobicContact CE2-CD1 4.26Å; F256-Y268 AromaticContact CE2-CE1 3.58Å; F256-Y268 HydrophobicContact CE2-CE1 3.58Å; F256-Y268 AromaticContact CE2-CZ 3.95Å; F256-Y268 HydrophobicContact CZ-CD1 4.48Å; F256-Y268 HydrophobicContact CZ-CE1 4.2Å; Y268-N270 VanDerWaalsContact C-N 3.33Å; Y268-N270 PolarHBondContact O-N 3.48Å; Y268-R271 PolarHBondContact O-N 2.9Å; Y268-H272 AromaticContact CD2-CD2 3.8Å; Y268-H272 AromaticContact CD2-NE2 3.82Å; Y268-H272 AromaticContact CE1-CD2 3.87Å; Y268-H272 AromaticContact CE2-CD2 3.41Å; Y268-H272 VanDerWaalsContact CE2-CD2 3.41Å; Y268-H272 WeakPolarHBondContact CE2-CD2 3.44Å; Y268-H272 AromaticContact CE2-NE2 3.01Å; Y268-H272 WeakPolarHBondContact CE2-NE2 3.39Å; Y268-H272 AromaticContact CZ-CD2 3.43Å; Y268-H272 VanDerWaalsContact CZ-CD2 3.43Å; Y268-H272 AromaticContact CZ-NE2 3.15Å; Y268-H272 PolarHBondContact O-CD2 3.16Å; Y268-H272 VanDerWaalsContact O-CD2 3.23Å; Y268-H272 PolarHBondContact O-N 3.05Å; Y268-H272 PolarHBondContact OH-NE2 2.92Å; Y268-H272 VanDerWaalsContact OH-NE2 3.15Å; Y268-D399 WeakPolarHBondContact CD2-OD1 3.31Å; Y268-P400 HydrophobicContact CE1-CG 4.43Å; Y268-P400 HydrophobicContact CE2-CG 3.81Å; Y268-L409 HydrophobicContact CD1-CD1 4.13Å; Y268-L409 HydrophobicContact CD2-CD1 4.4Å; Y268-L409 HydrophobicContact CG-CD1 3.91Å
269A96.2Very high94.2Very high0 Ų029.1 Ų29.10%013%0.133CC..Hα-helixtrans-59.9-42.1174.400000112.2I44 C131 I260 A265 V266 R271 H272 I273I44-A269 HydrophobicContact CD1-CB 3.8Å; I44-A269 HydrophobicContact CG2-CB 4.07Å; C131-A269 HydrophobicContact CB-CB 4.15Å; I260-A269 HydrophobicContact CG1-CB 4.49Å; A265-A269 VanDerWaalsContact O-CB 3.28Å; A265-A269 WeakPolarHBondContact O-CB 3.27Å; A265-A269 PolarHBondContact O-N 2.86Å; V266-A269 PolarHBondContact O-N 3.35Å; A269-R271 PolarHBondContact O-N 3.23Å; A269-H272 PolarHBondContact O-N 3.1Å; A269-I273 WeakPolarHBondContact O-CG1 3.32Å; A269-I273 PolarHBondContact O-N 3.11Å
270N98Very high94.4Very high0 Ų030 Ų300%014%0.141CC..Hα-helixtrans-57.8-51.6179.4-164.467.4000111.5I44 A45 V266 I267 Y268 H272 I273 L274 N344 S346 I363I44-N270 HydrophobicContact CG2-CB 4.26Å; A45-N270 WeakPolarHBondContact CA-OD1 3.32Å; A45-N270 PolarHBondContact N-OD1 3.4Å; V266-N270 WeakPolarHBondContact O-CB 2.95Å; V266-N270 PolarHBondContact O-N 2.83Å; I267-N270 WeakPolarHBondContact O-CB 3.3Å; I267-N270 PolarHBondContact O-N 2.69Å; Y268-N270 VanDerWaalsContact C-N 3.33Å; Y268-N270 PolarHBondContact O-N 3.48Å; N270-H272 VanDerWaalsContact C-N 3.32Å; N270-H272 PolarHBondContact O-N 3.14Å; N270-I273 PolarHBondContact O-N 2.56Å; N270-L274 VanDerWaalsContact ND2-CD1 3.34Å; N270-L274 WeakPolarHBondContact ND2-CD1 3.13Å; N270-L274 VanDerWaalsContact O-CB 3.3Å; N270-L274 WeakPolarHBondContact O-CB 3.3Å; N270-L274 WeakPolarHBondContact O-CG 3.45Å; N270-L274 PolarHBondContact O-N 3.16Å; N270-N344 PolarHBondContact ND2-O 3.25Å; N270-N344 VanDerWaalsContact ND2-O 3.15Å; N270-S346 PolarHBondContact ND2-OG 3.46Å; N270-S346 VanDerWaalsContact ND2-OG 3.12Å; N270-S346 PolarHBondContact OD1-OG 3.37Å; N270-I363 HydrophobicContact CB-CD1 3.96Å; N270-I363 HydrophobicContact CB-CG1 4.13Å
271R96.8Very high94.5Very high51 Ų5130.9 Ų30.919%0.19215%0.145CC..Hα-helixtrans-51.7-51.3175.2173.1-177.9-49.5161.411.1111.7I267 Y268 A269 L274 S275 N344 E361 D399I267-R271 PolarHBondContact O-N 3.26Å; Y268-R271 PolarHBondContact O-N 2.9Å; A269-R271 PolarHBondContact O-N 3.23Å; R271-L274 PolarHBondContact O-N 3.23Å; R271-S275 PolarHBondContact O-N 3.38Å; R271-N344 HydrophobicContact CB-CB 3.97Å; R271-N344 HydrophobicContact CG-CB 4.26Å; R271-N344 PolarHBondContact NE-ND2 3.28Å; R271-E361 IonicContact CZ-OE1 3.12Å; R271-E361 IonicContact CZ-OE2 2.71Å; R271-E361 IonicContact NE-OE1 2.76Å; R271-E361 PolarHBondContact NE-OE1 2.9Å; R271-E361 VanDerWaalsContact NE-OE1 3.1Å; R271-E361 IonicContact NE-OE2 3.84Å; R271-E361 PolarHBondContact NE-OE2 3.23Å; R271-E361 VanDerWaalsContact NE-OE2 3.16Å; R271-E361 IonicContact NH2-OE1 3.34Å; R271-E361 PolarHBondContact NH2-OE1 2.88Å; R271-E361 IonicContact NH2-OE2 3.1Å; R271-E361 PolarHBondContact NH2-OE2 3.43Å; R271-D399 IonicContact CZ-OD1 3.16Å; R271-D399 IonicContact CZ-OD2 3.62Å; R271-D399 IonicContact NH1-OD1 2.86Å; R271-D399 PolarHBondContact NH1-OD1 2.89Å; R271-D399 IonicContact NH1-OD2 3.95Å; R271-D399 PolarHBondContact NH1-OD2 2.96Å; R271-D399 IonicContact NH2-OD1 3.39Å; R271-D399 PolarHBondContact NH2-OD1 2.91Å; R271-D399 IonicContact NH2-OD2 3.04Å; R271-D399 PolarHBondContact NH2-OD2 3.09Å
272H96.7Very high95Very high55 Ų5531.9 Ų31.926%0.25516%0.157SC..Hα-helixtrans-71-36.1-174.2-78.8-71.3000113.3F256 Y268 A269 N270 S275 L276F256-H272 HydrophobicContact CD1-CB 3.7Å; F256-H272 HydrophobicContact CD2-CB 3.64Å; F256-H272 AromaticContact CD2-CD2 3.68Å; F256-H272 AromaticContact CD2-CE1 4Å; F256-H272 AromaticContact CD2-CG 3.34Å; F256-H272 AromaticContact CD2-ND1 3.57Å; F256-H272 HydrophobicContact CE1-CB 3.51Å; F256-H272 HydrophobicContact CE2-CB 3.46Å; F256-H272 VanDerWaalsContact CE2-CB 3.46Å; F256-H272 AromaticContact CE2-CD2 3.19Å; F256-H272 WeakPolarHBondContact CE2-CD2 3.45Å; F256-H272 AromaticContact CE2-CG 3.23Å; F256-H272 AromaticContact CE2-ND1 3.92Å; F256-H272 AromaticContact CE2-NE2 3.88Å; F256-H272 HydrophobicContact CG-CB 3.76Å; F256-H272 AromaticContact CG-CG 3.92Å; F256-H272 HydrophobicContact CZ-CB 3.39Å; F256-H272 AromaticContact CZ-CD2 3.82Å; F256-H272 AromaticContact CZ-CG 3.72Å; Y268-H272 AromaticContact CD2-CD2 3.8Å; Y268-H272 AromaticContact CD2-NE2 3.82Å; Y268-H272 AromaticContact CE1-CD2 3.87Å; Y268-H272 AromaticContact CE2-CD2 3.41Å; Y268-H272 VanDerWaalsContact CE2-CD2 3.41Å; Y268-H272 WeakPolarHBondContact CE2-CD2 3.44Å; Y268-H272 AromaticContact CE2-NE2 3.01Å; Y268-H272 WeakPolarHBondContact CE2-NE2 3.39Å; Y268-H272 AromaticContact CZ-CD2 3.43Å; Y268-H272 VanDerWaalsContact CZ-CD2 3.43Å; Y268-H272 AromaticContact CZ-NE2 3.15Å; Y268-H272 PolarHBondContact O-CD2 3.16Å; Y268-H272 VanDerWaalsContact O-CD2 3.23Å; Y268-H272 PolarHBondContact O-N 3.05Å; Y268-H272 PolarHBondContact OH-NE2 2.92Å; Y268-H272 VanDerWaalsContact OH-NE2 3.15Å; A269-H272 PolarHBondContact O-N 3.1Å; N270-H272 VanDerWaalsContact C-N 3.32Å; N270-H272 PolarHBondContact O-N 3.14Å; H272-S275 PolarHBondContact O-N 2.7Å; H272-L276 WeakPolarHBondContact O-CB 3.28Å; H272-L276 PolarHBondContact O-N 3.1Å
273I98.4Very high95.4Very high5 Ų537.5 Ų37.53%0.02618%0.183CC..Hα-helixtrans-72.5-37.8175.2-60.8-56.5000111.5I44 A45 C131 F256 A269 N270 S275 L276 Y277I44-I273 HydrophobicContact CG2-CB 4.45Å; I44-I273 HydrophobicContact CG2-CG1 4.26Å; A45-I273 HydrophobicContact CB-CB 3.89Å; A45-I273 HydrophobicContact CB-CG2 3.52Å; C131-I273 WeakPolarHBondContact SG-CG1 3.35Å; F256-I273 HydrophobicContact CE1-CD1 4.4Å; A269-I273 WeakPolarHBondContact O-CG1 3.32Å; A269-I273 PolarHBondContact O-N 3.11Å; N270-I273 PolarHBondContact O-N 2.56Å; I273-S275 VanDerWaalsContact C-N 3.31Å; I273-S275 PolarHBondContact O-N 2.8Å; I273-L276 HydrophobicContact CD1-CD2 4.07Å; I273-L276 CarbonylContact O-C 3.47Å; I273-L276 WeakPolarHBondContact O-CB 3.22Å; I273-L276 PolarHBondContact O-N 3.42Å; I273-L276 VanDerWaalsContact O-N 3.13Å; I273-Y277 HydrophobicContact CG2-CD1 4.25Å; I273-Y277 HydrophobicContact CG2-CE1 3.84Å; I273-Y277 WeakPolarHBondContact O-CD1 3.5Å; I273-Y277 PolarHBondContact O-N 3.24Å
274L98.5Very high95.9Very high0 Ų038.1 Ų38.10%018%0.184CC..Hα-helixtrans-60.3-41.9171.8-73.6173.1000111.7A45 N270 R271 Y277 L285 H326 F328A45-L274 HydrophobicContact CB-CD2 3.82Å; A45-L274 HydrophobicContact CB-CG 3.89Å; N270-L274 VanDerWaalsContact ND2-CD1 3.34Å; N270-L274 WeakPolarHBondContact ND2-CD1 3.13Å; N270-L274 VanDerWaalsContact O-CB 3.3Å; N270-L274 WeakPolarHBondContact O-CB 3.3Å; N270-L274 WeakPolarHBondContact O-CG 3.45Å; N270-L274 PolarHBondContact O-N 3.16Å; R271-L274 PolarHBondContact O-N 3.23Å; L274-Y277 HydrophobicContact CD2-CD2 4.44Å; L274-Y277 WeakPolarHBondContact O-CB 3.37Å; L274-Y277 PolarHBondContact O-N 2.9Å; L274-L285 HydrophobicContact CB-CD2 4.44Å; L274-L285 HydrophobicContact CD2-CD2 3.84Å; L274-H326 HydrophobicContact CB-CB 3.72Å; L274-F328 HydrophobicContact CD2-CB 3.63Å
275S97.4Very high96.4Very high41 Ų4139 Ų3929%0.28719%0.187SC..Hα-helixtrans-65.8-36.9172.8174.40000112.6R271 H272 I273 Y277 E278 H326R271-S275 PolarHBondContact O-N 3.38Å; H272-S275 PolarHBondContact O-N 2.7Å; I273-S275 VanDerWaalsContact C-N 3.31Å; I273-S275 PolarHBondContact O-N 2.8Å; S275-Y277 VanDerWaalsContact C-N 3.27Å; S275-Y277 PolarHBondContact O-N 3.38Å; S275-E278 WeakPolarHBondContact O-CB 3.37Å; S275-E278 PolarHBondContact O-N 3.3Å; S275-H326 WeakPolarHBondContact CA-ND1 3.35Å
276L97.3Very high96.5Very high21 Ų2140.3 Ų40.311%0.1120%0.198CC..Hα-helixtrans-62.8-34.3173.217562.8000111.9D133 H272 I273 E278 R279 T280D133-L276 HydrophobicContact CB-CD1 4.29Å; D133-L276 HydrophobicContact CB-CD2 4.15Å; H272-L276 WeakPolarHBondContact O-CB 3.28Å; H272-L276 PolarHBondContact O-N 3.1Å; I273-L276 HydrophobicContact CD1-CD2 4.07Å; I273-L276 CarbonylContact O-C 3.47Å; I273-L276 WeakPolarHBondContact O-CB 3.22Å; I273-L276 PolarHBondContact O-N 3.42Å; I273-L276 VanDerWaalsContact O-N 3.13Å; L276-E278 VanDerWaalsContact C-N 3.28Å; L276-E278 PolarHBondContact O-N 2.82Å; L276-R279 HydrophobicContact CD1-CG 4.21Å; L276-R279 VanDerWaalsContact CD1-NE 3.29Å; L276-R279 VanDerWaalsContact CD1-NH2 3.27Å; L276-R279 WeakPolarHBondContact O-CG 3.43Å; L276-R279 PolarHBondContact O-N 2.76Å; L276-T280 HydrophobicContact CD1-CG2 3.63Å; L276-T280 HydrophobicContact CG-CG2 4.11Å; L276-T280 PolarHBondContact O-N 3.41Å; L276-T280 PolarHBondContact O-OG1 3.45Å
277Y98Very high96Very high3 Ų348.2 Ų48.21%0.01223%0.232CC..Hα-helixtrans-63.8-30.1176.9-74.1-7.8000113.6A45 F47 H52 I273 L274 S275 R279 T280 H281 P282 R284 L285A45-Y277 HydrophobicContact CB-CD2 4.36Å; A45-Y277 HydrophobicContact CB-CE2 3.77Å; A45-Y277 VanDerWaalsContact O-CE2 3.28Å; A45-Y277 WeakPolarHBondContact O-CE2 3.25Å; F47-Y277 HydrophobicContact CD2-CE2 4.48Å; F47-Y277 WeakPolarHBondContact CD2-OH 3.4Å; H52-Y277 AromaticContact CE1-CZ 3.89Å; H52-Y277 PolarHBondContact CE1-OH 3.01Å; I273-Y277 HydrophobicContact CG2-CD1 4.25Å; I273-Y277 HydrophobicContact CG2-CE1 3.84Å; I273-Y277 WeakPolarHBondContact O-CD1 3.5Å; I273-Y277 PolarHBondContact O-N 3.24Å; L274-Y277 HydrophobicContact CD2-CD2 4.44Å; L274-Y277 WeakPolarHBondContact O-CB 3.37Å; L274-Y277 PolarHBondContact O-N 2.9Å; S275-Y277 VanDerWaalsContact C-N 3.27Å; S275-Y277 PolarHBondContact O-N 3.38Å; Y277-R279 PolarHBondContact O-N 3.28Å; Y277-T280 PolarHBondContact O-N 2.89Å; Y277-H281 HydrophobicContact CD1-CB 4.24Å; Y277-H281 AromaticContact CD1-ND1 3.95Å; Y277-H281 HydrophobicContact CG-CB 4.47Å; Y277-H281 CarbonylContact O-C 3.59Å; Y277-H281 WeakPolarHBondContact O-CA 3.21Å; Y277-H281 PolarHBondContact O-N 3.44Å; Y277-P282 WeakPolarHBondContact O-CA 3.4Å; Y277-R284 HydrophobicContact CD2-CB 3.76Å; Y277-R284 HydrophobicContact CE2-CB 3.9Å; Y277-R284 HydrophobicContact CE2-CG 4.39Å; Y277-R284 HydrophobicContact CG-CB 4.42Å; Y277-R284 PolarHBondContact OH-NH1 3.26Å; Y277-R284 VanDerWaalsContact OH-NH1 3.16Å; Y277-L285 HydrophobicContact CD2-CD2 4.32Å
278E96.1Very high95Very high118 Ų11853 Ų5355%0.55126%0.256SS*.Hα-helixtrans-54.6-40.3176.1-176.7172.1-15500111.9S275 L276 L285 H326S275-E278 WeakPolarHBondContact O-CB 3.37Å; S275-E278 PolarHBondContact O-N 3.3Å; L276-E278 VanDerWaalsContact C-N 3.28Å; L276-E278 PolarHBondContact O-N 2.82Å; E278-L285 HydrophobicContact CB-CD1 3.99Å; E278-H326 IonicContact OE1-NE2 2.77Å; E278-H326 IonicContact OE2-CD2 3.33Å; E278-H326 IonicContact OE2-CE1 3.32Å; E278-H326 PolarHBondContact OE2-CE1 3.36Å; E278-H326 IonicContact OE2-NE2 3.57Å; E278-H326 PolarHBondContact OE2-NE2 3.01Å
279R95.1Very high93.3Very high151 Ų15154.7 Ų54.757%0.5727%0.27SS*.Hα-helixtrans-90.9-29.3178.161.3172.7-178.9-91.38.9114.5D133 L276 Y277D133-R279 IonicContact OD2-CZ 3.85Å; D133-R279 IonicContact OD2-NE 2.82Å; D133-R279 IonicContact OD2-NH2 3.53Å; D133-R279 PolarHBondContact OD2-NH2 2.76Å; L276-R279 HydrophobicContact CD1-CG 4.21Å; L276-R279 VanDerWaalsContact CD1-NE 3.29Å; L276-R279 VanDerWaalsContact CD1-NH2 3.27Å; L276-R279 WeakPolarHBondContact O-CG 3.43Å; L276-R279 PolarHBondContact O-N 2.76Å; Y277-R279 PolarHBondContact O-N 3.28Å
280T95.6Very high91.1Very high59 Ų5960.3 Ų60.336%0.36230%0.298SS..Hα-helixtrans-102.1-39.7-172.456.30000114.4L276 Y277L276-T280 HydrophobicContact CD1-CG2 3.63Å; L276-T280 HydrophobicContact CG-CG2 4.11Å; L276-T280 PolarHBondContact O-N 3.41Å; L276-T280 PolarHBondContact O-OG1 3.45Å; Y277-T280 PolarHBondContact O-N 2.89Å
281H96.1Very high88.5Confident19 Ų1962.5 Ų62.59%0.08831%0.312CS..  trans-143.960.9-174.1-54.193.4000110.3E55 K59 Y277 H283 R284E55-H281 IonicContact OE1-CD2 3.43Å; E55-H281 IonicContact OE1-CE1 3.01Å; E55-H281 IonicContact OE1-NE2 3.18Å; E55-H281 PolarHBondContact OE1-NE2 2.93Å; E55-H281 IonicContact OE2-CE1 3.2Å; E55-H281 PolarHBondContact OE2-CE1 3.03Å; E55-H281 VanDerWaalsContact OE2-CE1 3.32Å; E55-H281 IonicContact OE2-NE2 2.71Å; K59-H281 PolarHBondContact NZ-CE1 3.43Å; K59-H281 VanDerWaalsContact NZ-CE1 3.27Å; K59-H281 PolarHBondContact NZ-NE2 3.25Å; K59-H281 VanDerWaalsContact NZ-NE2 3.12Å; Y277-H281 HydrophobicContact CD1-CB 4.24Å; Y277-H281 AromaticContact CD1-ND1 3.95Å; Y277-H281 HydrophobicContact CG-CB 4.47Å; Y277-H281 CarbonylContact O-C 3.59Å; Y277-H281 WeakPolarHBondContact O-CA 3.21Å; Y277-H281 PolarHBondContact O-N 3.44Å; H281-H283 AromaticContact CD2-CE1 3.95Å; H281-H283 PolarHBondContact O-N 3.38Å; H281-R284 HydrophobicContact CB-CB 4.42Å; H281-R284 HydrophobicContact CB-CG 3.93Å; H281-R284 WeakPolarHBondContact O-CB 3.41Å; H281-R284 PolarHBondContact O-N 2.93Å
282P96.7Very high85.7Confident70 Ų7065.1 Ų65.146%0.45534%0.339SS..G310 helixtrans-60.4-21-173.421.7-33.7000113.2Y277 R284 L285Y277-P282 WeakPolarHBondContact O-CA 3.4Å; P282-R284 VanDerWaalsContact C-N 3.25Å; P282-R284 PolarHBondContact O-N 3.37Å; P282-L285 PolarHBondContact O-N 3.13Å
283H95.8Very high83Confident143 Ų14365.7 Ų65.766%0.66235%0.349SS*.G310 helixtrans-68.2-18.7174.263.6-89.4000114H281 L285H281-H283 AromaticContact CD2-CE1 3.95Å; H281-H283 PolarHBondContact O-N 3.38Å; H283-L285 VanDerWaalsContact C-N 3.35Å
284R97.4Very high80Confident23 Ų2370 Ų709%0.08738%0.38CS..G310 helixtrans-80.3-18.2175-66.3-179176.8164.27112.7F47 E55 Y277 H281 P282 F328F47-R284 HydrophobicContact CE2-CG 4.26Å; E55-R284 IonicContact OE1-CZ 3.94Å; E55-R284 IonicContact OE1-NH1 3.43Å; E55-R284 PolarHBondContact OE1-NH1 3.31Å; E55-R284 IonicContact OE1-NH2 2.74Å; E55-R284 PolarHBondContact OE1-NH2 3.04Å; E55-R284 IonicContact OE2-CZ 3.29Å; E55-R284 IonicContact OE2-NH1 3.11Å; E55-R284 PolarHBondContact OE2-NH1 3.14Å; E55-R284 IonicContact OE2-NH2 3.66Å; E55-R284 PolarHBondContact OE2-NH2 3.12Å; Y277-R284 HydrophobicContact CD2-CB 3.76Å; Y277-R284 HydrophobicContact CE2-CB 3.9Å; Y277-R284 HydrophobicContact CE2-CG 4.39Å; Y277-R284 HydrophobicContact CG-CB 4.42Å; Y277-R284 PolarHBondContact OH-NH1 3.26Å; Y277-R284 VanDerWaalsContact OH-NH1 3.16Å; H281-R284 HydrophobicContact CB-CB 4.42Å; H281-R284 HydrophobicContact CB-CG 3.93Å; H281-R284 WeakPolarHBondContact O-CB 3.41Å; H281-R284 PolarHBondContact O-N 2.93Å; P282-R284 VanDerWaalsContact C-N 3.25Å; P282-R284 PolarHBondContact O-N 3.37Å; R284-F328 HydrophobicContact CB-CD2 4.36Å; R284-F328 VanDerWaalsContact O-CD2 3.24Å; R284-F328 WeakPolarHBondContact O-CD2 3.3Å
285L97.8Very high76.9Confident24 Ų2477.1 Ų77.113%0.12642%0.418CS..SBendtrans-85.1134.2178.5-64.5179000110.4L274 Y277 E278 P282 H283 K287 H326 V327L274-L285 HydrophobicContact CB-CD2 4.44Å; L274-L285 HydrophobicContact CD2-CD2 3.84Å; Y277-L285 HydrophobicContact CD2-CD2 4.32Å; E278-L285 HydrophobicContact CB-CD1 3.99Å; P282-L285 PolarHBondContact O-N 3.13Å; H283-L285 VanDerWaalsContact C-N 3.35Å; L285-K287 PolarHBondContact O-N 3.5Å; L285-H326 HydrophobicContact CD2-CB 4.12Å; L285-V327 CarbonylContact C-O 3.58Å; L285-V327 WeakPolarHBondContact CA-O 3.38Å
286A94.7Very high73.9Confident27 Ų2781.8 Ų81.822%0.22344%0.439CS..PPolyproline II helixtrans-62.8132.4170.600000109.6I323 V327 I329A286-I323 HydrophobicContact CB-CG1 4.43Å; A286-I323 HydrophobicContact CB-CG2 4.32Å; A286-V327 HydrophobicContact CB-CB 4.31Å; A286-V327 HydrophobicContact CB-CG1 4.28Å; A286-V327 PolarHBondContact N-O 3.29Å; A286-I329 HydrophobicContact CB-CB 4.46Å; A286-I329 HydrophobicContact CB-CD1 3.68Å; A286-I329 HydrophobicContact CB-CG1 4.06Å
287K84Confident70.7Confident165 Ų16588.2 Ų88.272%0.71747%0.468SS*.PPolyproline II helixtrans-96144.8175.1-64.8-177180-179.50109.5L285 T289L285-K287 PolarHBondContact O-N 3.5Å; K287-T289 PolarHBondContact O-N 2.91Å
288M73.8Confident67.3Low107 Ų10795.8 Ų95.853%0.52751%0.505SS..PPolyproline II helixtrans-62.8127.3170.4-165.8163.287.400108.9I290M288-I290 VanDerWaalsContact C-N 3.27Å; M288-I290 HydrophobicContact CB-CG1 4.46Å; M288-I290 HydrophobicContact CE-CD1 3.75Å; M288-I290 HydrophobicContact CE-CG1 3.45Å; M288-I290 VanDerWaalsContact CE-CG1 3.45Å; M288-I290 HydrophobicContact CG-CG1 4.27Å; M288-I290 PolarHBondContact O-N 3.46Å
289T59Low64.1Low67 Ų6797 Ų9741%0.41152%0.515SS..  trans-80.683.6170.6-520000107.2K287 C319K287-T289 PolarHBondContact O-N 2.91Å; T289-C319 HydrophobicContact CG2-CB 4.13Å
290I50.7Low61Low118 Ų11896.6 Ų96.661%0.60552%0.524SS*.  trans-69.6128.7167.3-52.7179000105.8M288 S292M288-I290 VanDerWaalsContact C-N 3.27Å; M288-I290 HydrophobicContact CB-CG1 4.46Å; M288-I290 HydrophobicContact CE-CD1 3.75Å; M288-I290 HydrophobicContact CE-CG1 3.45Å; M288-I290 VanDerWaalsContact CE-CG1 3.45Å; M288-I290 HydrophobicContact CG-CG1 4.27Å; M288-I290 PolarHBondContact O-N 3.46Å; I290-S292 PolarHBondContact O-N 2.7Å
291P42.9Very low57.8Low45 Ų45100.3 Ų100.329%0.29254%0.542SS..  trans-55.8122.1169.2-919.1000107.2S293P291-S293 PolarHBondContact O-N 2.7Å
292S38.4Very low54.7Low107 Ų107105 Ų10575%0.74857%0.574SS**  trans-64.682.5161.950.80000107.3I290 S294I290-S292 PolarHBondContact O-N 2.7Å; S292-S294 WeakPolarHBondContact O-CB 3.11Å; S292-S294 PolarHBondContact O-N 2.89Å; S292-S294 PolarHBondContact O-OG 2.95Å
293S39.4Very low51.6Low67 Ų67108.5 Ų108.547%0.46959%0.587SS.*  trans-60.691.4145.351.50000104.4P291P291-S293 PolarHBondContact O-N 2.7Å
294S34.9Very low48.4Very low96 Ų96109 Ų10967%0.67160%0.595SS**THydrogen-bonded Turn31.485.170.280.50000108.9S292S292-S294 WeakPolarHBondContact O-CB 3.11Å; S292-S294 PolarHBondContact O-N 2.89Å; S292-S294 PolarHBondContact O-OG 2.95Å
295N34.4Very low45Very low149 Ų149112.2 Ų112.280%0.79762%0.621SS**THydrogen-bonded Turntrans82.326.8164-49.3-22.9000119.1Q297N295-Q297 PolarHBondContact O-N 3.04Å
296L34.9Very low41.7Very low139 Ų139116.2 Ų116.273%0.72865%0.651SS**  trans-77.668.1149.7-78.3166.2000108.7M298L296-M298 PolarHBondContact O-N 3.35Å
297Q28.9Very low38.3Very low155 Ų155122.4 Ų122.472%0.72468%0.679SS**  trans-60.3118149.6-80.9177.1-11.700105.4N295 L299N295-Q297 PolarHBondContact O-N 3.04Å; Q297-L299 VanDerWaalsContact C-N 3.28Å; Q297-L299 PolarHBondContact O-N 2.76Å
298M27.4Very low35.6Very low162 Ų162120.6 Ų120.680%0.79868%0.682SS**  trans-53.996.1168.4-59.9-70-69.900107L296 D300L296-M298 PolarHBondContact O-N 3.35Å; M298-D300 PolarHBondContact O-N 3.22Å
299L28.6Very low33.2Very low144 Ų144119.6 Ų119.675%0.75468%0.682SS**  trans-83.791.9171.4-84.5157.1000106.2Q297 D301Q297-L299 VanDerWaalsContact C-N 3.28Å; Q297-L299 PolarHBondContact O-N 2.76Å; L299-D301 PolarHBondContact O-N 3.44Å
300D29.6Very low31.6Very low143 Ų143123.8 Ų123.877%0.76570%0.698SS**  trans-64.880.7165.3-71.7-31.4000109M298M298-D300 PolarHBondContact O-N 3.22Å
301D28.2Very low30.7Very low136 Ų136125.3 Ų125.373%0.72771%0.708SS**  trans-138.2106.6168.7-91.7-36.4000111L299 I303L299-D301 PolarHBondContact O-N 3.44Å; D301-I303 PolarHBondContact O-N 3.44Å
302P30.9Very low30.1Very low117 Ų117126.8 Ų126.876%0.7673%0.731SS**  trans-95.348.1-175.437.6-33.6000112.3
303I32.7Very low29.9Very low144 Ų144129 Ų12974%0.73873%0.734SS**  trans-151.185.6167.5-60.692.8000109.8D301D301-I303 PolarHBondContact O-N 3.44Å
304N28.4Very low29.7Very low154 Ų154130.3 Ų130.382%0.82474%0.742SS**  trans170.6128.1137.5-111.1-33000113.1
305S26.3Very low30Very low90 Ų90134.1 Ų134.163%0.62975%0.75SS**  trans50.8101.7133.9-163.90000119.7
306S27.4Very low30.5Very low108 Ų108131.2 Ų131.276%0.75574%0.739SS**  48.983.3122.6-46.30000118.1
307L24Very low31.4Very low158 Ų158129 Ų12983%0.82774%0.736SS**  trans-13568.9152-122.8105.4000110.2V309L307-V309 HydrophobicContact CD2-CG2 3.72Å; L307-V309 HydrophobicContact CG-CG2 4.38Å; L307-V309 PolarHBondContact O-N 3.03Å
308V26.2Very low32.5Very low127 Ų127125 Ų12577%0.7772%0.718SS**  trans-82.495.5156.8-179.90000105.3M310V308-M310 VanDerWaalsContact C-N 3.33Å; V308-M310 HydrophobicContact CG1-CG 4.46Å; V308-M310 PolarHBondContact O-N 3.23Å
309V23.9Very low34.3Very low86 Ų86122.1 Ų122.152%0.52171%0.713SS.*  trans-6996.6174.9-178.20000107.8L307L307-V309 HydrophobicContact CD2-CG2 3.72Å; L307-V309 HydrophobicContact CG-CG2 4.38Å; L307-V309 PolarHBondContact O-N 3.03Å
310M25.6Very low36.9Very low155 Ų155115.6 Ų115.676%0.76468%0.68SS**  trans-76.7140.2156.7-65.9-160.1171.900108.3V308V308-M310 VanDerWaalsContact C-N 3.33Å; V308-M310 HydrophobicContact CG1-CG 4.46Å; V308-M310 PolarHBondContact O-N 3.23Å
311N30.8Very low39.8Very low150 Ų150110 Ų11080%0.80265%0.651SS**SBendtrans81.8105.8175.9-57.1-20.3000117.2D313N311-D313 PolarHBondContact O-N 3.25Å
312G31.4Very low43Very low76 Ų76106.3 Ų106.378%0.78463%0.631SS**SBend88.6-49.2121.700000119.1
313D32.9Very low46.1Very low153 Ų153101.4 Ų101.482%0.81860%0.598SS**  trans-125.611.6-156.6-73.1-25.9000116.8N311 Q315N311-D313 PolarHBondContact O-N 3.25Å; D313-Q315 VanDerWaalsContact C-N 3.25Å; D313-Q315 PolarHBondContact O-N 3.47Å
314C36.6Very low49.1Very low94 Ų9498.3 Ų98.364%0.63558%0.583SS**  trans-78.883.3160.4-67.40000108.1P316C314-P316 VanDerWaalsContact C-CD 3.47Å; C314-P316 WeakPolarHBondContact O-CD 3.36Å
315Q40.4Very low52.2Low176 Ų17693.5 Ų93.582%0.82257%0.57SS**  trans-75.999.2155.9-72-165-7.100106.3D313 S317D313-Q315 VanDerWaalsContact C-N 3.25Å; D313-Q315 PolarHBondContact O-N 3.47Å; Q315-S317 PolarHBondContact O-N 3.5Å
316P46.3Very low55.6Low88 Ų8891.1 Ų91.157%0.57155%0.548SS*.  trans-53.5120.6151.925.9-30.3000103.9C314 I318C314-P316 VanDerWaalsContact C-CD 3.47Å; C314-P316 WeakPolarHBondContact O-CD 3.36Å; P316-I318 HydrophobicContact CG-CG1 4.34Å; P316-I318 VanDerWaalsContact O-CG1 3.26Å; P316-I318 WeakPolarHBondContact O-CG1 3.39Å; P316-I318 PolarHBondContact O-N 2.84Å
317S51.8Low59Low94 Ų9486 Ų8666%0.65751%0.512SS*.  trans-64.383.5178.341.70000107.5Q315 C319Q315-S317 PolarHBondContact O-N 3.5Å; S317-C319 PolarHBondContact O-N 3.26Å
318I53Low62.5Low71 Ų7179 Ų7936%0.36448%0.475SS..  trans-64.4108.1-179.8-45.8-173.9000105.3P316 G320 I322P316-I318 HydrophobicContact CG-CG1 4.34Å; P316-I318 VanDerWaalsContact O-CG1 3.26Å; P316-I318 WeakPolarHBondContact O-CG1 3.39Å; P316-I318 PolarHBondContact O-N 2.84Å; I318-G320 WeakPolarHBondContact CG2-O 3.37Å; I318-G320 PolarHBondContact O-N 3.36Å; I318-I322 HydrophobicContact CD1-CD1 3.87Å; I318-I322 HydrophobicContact CD1-CG1 4.13Å; I318-I322 HydrophobicContact CG2-CG1 4.38Å
319C64.7Low66Low101 Ų10174.9 Ų74.968%0.68245%0.449SS*.  trans-76.2-15-171.1-166.40000111.9T289 S317T289-C319 HydrophobicContact CG2-CB 4.13Å; S317-C319 PolarHBondContact O-N 3.26Å
320G83.3Confident69.5Low7 Ų773 Ų737%0.07243%0.434CS..SBendtrans-149.1-179178.100000112.5I318 R337I318-G320 WeakPolarHBondContact CG2-O 3.37Å; I318-G320 PolarHBondContact O-N 3.36Å; G320-R337 CarbonylContact C-O 3.58Å; G320-R337 VanDerWaalsContact O-O 3.09Å
321P91.9Very high72.9Confident24 Ų2471.3 Ų71.316%0.15644%0.435CS..  trans-61.2153.7178.726.9-35.5000112I323 I335P321-I323 HydrophobicContact CB-CD1 4.39Å; P321-I323 HydrophobicContact CG-CD1 4.21Å; P321-I323 PolarHBondContact O-N 3.05Å; P321-I335 HydrophobicContact CB-CG2 3.73Å; P321-I335 HydrophobicContact CG-CB 4.37Å; P321-I335 HydrophobicContact CG-CG2 3.81Å
322I94.5Very high76.1Confident59 Ų5967.8 Ų67.830%0.30342%0.419SS..EExtended strand (participates in β ladder)trans-80.2117.9173.4-59.5175.9000108.2I318 I324 A339 V340 I341I318-I322 HydrophobicContact CD1-CD1 3.87Å; I318-I322 HydrophobicContact CD1-CG1 4.13Å; I318-I322 HydrophobicContact CG2-CG1 4.38Å; I322-I324 HydrophobicContact CG2-CG1 4.19Å; I322-A339 PolarHBondContact N-O 3.09Å; I322-V340 HydrophobicContact CB-CB 4.46Å; I322-V340 HydrophobicContact CB-CG1 4.33Å; I322-V340 HydrophobicContact CB-CG2 4.06Å; I322-V340 HydrophobicContact CD1-CG2 4.1Å; I322-V340 HydrophobicContact CG2-CG1 4.23Å; I322-V340 WeakPolarHBondContact O-CA 3.01Å; I322-I341 PolarHBondContact O-N 3.44Å
323I95.6Very high79.3Confident14 Ų1465 Ų657%0.07239%0.389CS..EExtended strand (participates in β ladder)trans-104.3125.7177.8-55-56.4000109.2A286 P321 V327 I329 I341A286-I323 HydrophobicContact CB-CG1 4.43Å; A286-I323 HydrophobicContact CB-CG2 4.32Å; P321-I323 HydrophobicContact CB-CD1 4.39Å; P321-I323 HydrophobicContact CG-CD1 4.21Å; P321-I323 PolarHBondContact O-N 3.05Å; I323-V327 HydrophobicContact CG2-CB 3.83Å; I323-V327 HydrophobicContact CG2-CG2 3.83Å; I323-I329 HydrophobicContact CD1-CD1 3.83Å; I323-I341 WeakPolarHBondContact CA-O 3.35Å; I323-I341 HydrophobicContact CD1-CB 3.89Å; I323-I341 HydrophobicContact CD1-CG1 4.19Å
324I95.1Very high82.4Confident80 Ų8061.3 Ų61.341%0.4137%0.374SS..  trans-115.7123.5179.4-58.6177.3000108.8I322 V340 I341 G342 P343I322-I324 HydrophobicContact CG2-CG1 4.19Å; I324-V340 HydrophobicContact CD1-CG1 3.59Å; I324-V340 HydrophobicContact CG1-CG1 4.24Å; I324-I341 PolarHBondContact N-O 3.06Å; I324-G342 WeakPolarHBondContact O-CA 3.31Å; I324-P343 WeakPolarHBondContact O-CA 3.46Å
325G94.8Very high85.3Confident53 Ų5358.3 Ų58.355%0.54635%0.352SS..SBendtrans63.1-150.8178.200000113.3
326H97.3Very high88Confident39 Ų3952.4 Ų52.418%0.18133%0.326CS..SBendtrans-81.6121.7-177.9-47.8125.1000111.3L274 S275 E278 L285 N344L274-H326 HydrophobicContact CB-CB 3.72Å; S275-H326 WeakPolarHBondContact CA-ND1 3.35Å; E278-H326 IonicContact OE1-NE2 2.77Å; E278-H326 IonicContact OE2-CD2 3.33Å; E278-H326 IonicContact OE2-CE1 3.32Å; E278-H326 PolarHBondContact OE2-CE1 3.36Å; E278-H326 IonicContact OE2-NE2 3.57Å; E278-H326 PolarHBondContact OE2-NE2 3.01Å; L285-H326 HydrophobicContact CD2-CB 4.12Å; H326-N344 VanDerWaalsContact O-CA 3.3Å; H326-N344 WeakPolarHBondContact O-CA 3.13Å; H326-N344 PolarHBondContact O-N 3.27Å
327V98.5Very high90.2Very high0 Ų056.2 Ų56.20%033%0.329CS..EExtended strand (participates in β ladder)trans-137.8137.8178.7174.70000109.2L285 A286 I323 I329 I341 V345L285-V327 CarbonylContact C-O 3.58Å; L285-V327 WeakPolarHBondContact CA-O 3.38Å; A286-V327 HydrophobicContact CB-CB 4.31Å; A286-V327 HydrophobicContact CB-CG1 4.28Å; A286-V327 PolarHBondContact N-O 3.29Å; I323-V327 HydrophobicContact CG2-CB 3.83Å; I323-V327 HydrophobicContact CG2-CG2 3.83Å; V327-I329 HydrophobicContact CG1-CD1 4.22Å; V327-I329 HydrophobicContact CG1-CG1 3.95Å; V327-I341 HydrophobicContact CG1-CB 4.49Å; V327-I341 HydrophobicContact CG1-CG2 3.62Å; V327-I341 HydrophobicContact CG2-CG2 4.18Å; V327-V345 CarbonylContact C-O 3.59Å; V327-V345 VanDerWaalsContact CA-O 3.29Å; V327-V345 WeakPolarHBondContact CA-O 3.42Å; V327-V345 HydrophobicContact CG1-CB 4.32Å; V327-V345 HydrophobicContact CG2-CB 4.29Å
328F98.6Very high92.3Very high11 Ų1154.9 Ų54.95%0.04832%0.317CS..EExtended strand (participates in β ladder)trans-106.1131.5168173.4-86.6000109.6G46 F47 L274 R284 H330 V345 S346 I347G46-F328 VanDerWaalsContact CA-CD1 3.45Å; F47-F328 HydrophobicContact CD2-CE2 4.45Å; F47-F328 AromaticContact CE2-CE2 3.73Å; F47-F328 HydrophobicContact CE2-CE2 3.73Å; F47-F328 HydrophobicContact CE2-CZ 4.23Å; F47-F328 HydrophobicContact CZ-CE2 4.47Å; L274-F328 HydrophobicContact CD2-CB 3.63Å; R284-F328 HydrophobicContact CB-CD2 4.36Å; R284-F328 VanDerWaalsContact O-CD2 3.24Å; R284-F328 WeakPolarHBondContact O-CD2 3.3Å; F328-H330 HydrophobicContact CE1-CB 4.05Å; F328-H330 HydrophobicContact CZ-CB 4.48Å; F328-V345 PolarHBondContact N-O 3.4Å; F328-S346 WeakPolarHBondContact O-CA 3.19Å; F328-I347 PolarHBondContact O-N 2.94Å
329I98.4Very high94.4Very high42 Ų4251.5 Ų51.522%0.21530%0.3CS..EExtended strand (participates in β ladder)trans-126119.4173.7-65.2166.3000107.9A286 I323 V327 A333 I335 I347A286-I329 HydrophobicContact CB-CB 4.46Å; A286-I329 HydrophobicContact CB-CD1 3.68Å; A286-I329 HydrophobicContact CB-CG1 4.06Å; I323-I329 HydrophobicContact CD1-CD1 3.83Å; V327-I329 HydrophobicContact CG1-CD1 4.22Å; V327-I329 HydrophobicContact CG1-CG1 3.95Å; I329-A333 HydrophobicContact CG2-CB 4.08Å; I329-I335 HydrophobicContact CB-CD1 4.28Å; I329-I335 HydrophobicContact CD1-CD1 3.37Å; I329-I335 HydrophobicContact CG1-CD1 3.65Å; I329-I335 HydrophobicContact CG2-CD1 3.58Å; I329-I347 HydrophobicContact CG1-CD1 4.23Å
330H98.3Very high95.9Very high46 Ų4647.9 Ų47.921%0.21327%0.274CS..  trans-62.7138.4173.1-168.8-88.3000110.4F328 T332 A333 I347 E349F328-H330 HydrophobicContact CE1-CB 4.05Å; F328-H330 HydrophobicContact CZ-CB 4.48Å; H330-T332 PolarHBondContact CE1-OG1 3.18Å; H330-T332 PolarHBondContact ND1-N 2.71Å; H330-T332 PolarHBondContact ND1-OG1 3.2Å; H330-T332 PolarHBondContact O-N 3.11Å; H330-A333 VanDerWaalsContact O-CB 3.31Å; H330-A333 WeakPolarHBondContact O-CB 3.45Å; H330-A333 PolarHBondContact O-N 3.34Å; H330-I347 WeakPolarHBondContact CB-O 3.42Å; H330-I347 PolarHBondContact N-O 2.96Å; H330-E349 WeakPolarHBondContact CE1-CG 2.94Å; H330-E349 WeakPolarHBondContact ND1-CG 3.36Å; H330-E349 WeakPolarHBondContact NE2-CG 3.18Å
331P96.4Very high96.6Very high120 Ų12047.6 Ų47.678%0.77927%0.271SS*.THydrogen-bonded Turntrans-57.1-24-176.6-28.935.5000115.9
332T98.1Very high96.9Very high76 Ų7646.7 Ų46.747%0.46627%0.266SS..THydrogen-bonded Turntrans-90.3-3178.564.70000114H330 E349 R350H330-T332 PolarHBondContact CE1-OG1 3.18Å; H330-T332 PolarHBondContact ND1-N 2.71Å; H330-T332 PolarHBondContact ND1-OG1 3.2Å; H330-T332 PolarHBondContact O-N 3.11Å; T332-E349 WeakPolarHBondContact OG1-CA 3.46Å; T332-R350 WeakPolarHBondContact O-CA 3.41Å; T332-R350 PolarHBondContact OG1-N 3.01Å
333A98.3Very high97Very high18 Ų1845.9 Ų45.915%0.14927%0.265CS..  trans-74.9143.9175.800000110.6I329 H330 I347 A351I329-A333 HydrophobicContact CG2-CB 4.08Å; H330-A333 VanDerWaalsContact O-CB 3.31Å; H330-A333 WeakPolarHBondContact O-CB 3.45Å; H330-A333 PolarHBondContact O-N 3.34Å; A333-I347 HydrophobicContact CB-CG2 3.77Å; A333-A351 CarbonylContact C-O 3.52Å; A333-A351 WeakPolarHBondContact CA-O 3.47Å; A333-A351 HydrophobicContact CB-CB 4.49Å
334S98Very high97.1Very high74 Ų7446 Ų4652%0.51727%0.265SS..EExtended strand (participates in β ladder)trans-106.8123.8175.2179.70000109.3A351 V352 I353S334-A351 PolarHBondContact N-O 2.83Å; S334-V352 CarbonylContact O-C 3.58Å; S334-V352 WeakPolarHBondContact O-CA 3.13Å; S334-I353 PolarHBondContact O-N 3.43Å
335I97.4Very high97.2Very high32 Ų3242.1 Ų42.116%0.16425%0.246CC..EExtended strand (participates in β ladder)trans-129.7125.8-177.4-55.1175.8000109.3P321 I329 A339 I341 I347 I353P321-I335 HydrophobicContact CB-CG2 3.73Å; P321-I335 HydrophobicContact CG-CB 4.37Å; P321-I335 HydrophobicContact CG-CG2 3.81Å; I329-I335 HydrophobicContact CB-CD1 4.28Å; I329-I335 HydrophobicContact CD1-CD1 3.37Å; I329-I335 HydrophobicContact CG1-CD1 3.65Å; I329-I335 HydrophobicContact CG2-CD1 3.58Å; I335-A339 HydrophobicContact CG2-CB 4Å; I335-I341 HydrophobicContact CG2-CD1 4.48Å; I335-I341 HydrophobicContact CG2-CG1 4.39Å; I335-I347 HydrophobicContact CD1-CD1 3.67Å; I335-I347 HydrophobicContact CG1-CD1 4.46Å; I335-I353 HydrophobicContact CB-CB 4.32Å; I335-I353 HydrophobicContact CG1-CB 4.11Å; I335-I353 HydrophobicContact CG1-CG1 4.02Å; I335-I353 HydrophobicContact CG2-CB 4.08Å; I335-I353 HydrophobicContact CG2-CG2 4.24Å
336D97Very high97.4Very high51 Ų5139.8 Ų39.827%0.27322%0.221SC..  trans-66.4141.5176-172.8-91.4000111.9T338 A339 I353 Q354 A355D336-T338 PolarHBondContact O-N 2.88Å; D336-T338 VanDerWaalsContact O-N 3.09Å; D336-T338 WeakPolarHBondContact OD1-CB 3.28Å; D336-T338 PolarHBondContact OD1-N 2.99Å; D336-T338 PolarHBondContact OD1-OG1 2.84Å; D336-A339 VanDerWaalsContact O-CB 3.32Å; D336-A339 WeakPolarHBondContact O-CB 3.41Å; D336-A339 PolarHBondContact O-N 3.4Å; D336-I353 PolarHBondContact N-O 3.02Å; D336-Q354 VanDerWaalsContact CB-C 3.49Å; D336-A355 HydrophobicContact CB-CB 4.45Å; D336-A355 WeakPolarHBondContact OD1-CA 3.44Å
337R94Very high97.5Very high169 Ų16938 Ų3864%0.63821%0.212SC*.THydrogen-bonded Turntrans-57.9-22.4-179.661.3-175.2159.9-175.7-4.8114.8G320G320-R337 CarbonylContact C-O 3.58Å; G320-R337 VanDerWaalsContact O-O 3.09Å
338T95.2Very high97.5Very high66 Ų6638.8 Ų38.841%0.40522%0.221SC..THydrogen-bonded Turntrans-93.7-2.8-179.566.30000113.6D336 A355 G356 R358D336-T338 PolarHBondContact O-N 2.88Å; D336-T338 VanDerWaalsContact O-N 3.09Å; D336-T338 WeakPolarHBondContact OD1-CB 3.28Å; D336-T338 PolarHBondContact OD1-N 2.99Å; D336-T338 PolarHBondContact OD1-OG1 2.84Å; T338-A355 WeakPolarHBondContact OG1-CA 3.48Å; T338-G356 PolarHBondContact OG1-N 2.91Å; T338-R358 PolarHBondContact O-NH1 3.23Å
339A97Very high97.5Very high0 Ų041 Ų410%023%0.231CC..  trans-71.7149.6176.800000111.4I322 I335 D336 I341 I353 V357I322-A339 PolarHBondContact N-O 3.09Å; I335-A339 HydrophobicContact CG2-CB 4Å; D336-A339 VanDerWaalsContact O-CB 3.32Å; D336-A339 WeakPolarHBondContact O-CB 3.41Å; D336-A339 PolarHBondContact O-N 3.4Å; A339-I341 HydrophobicContact CB-CD1 4.01Å; A339-I353 HydrophobicContact CB-CG2 4.01Å; A339-V357 WeakPolarHBondContact CA-O 3.49Å; A339-V357 HydrophobicContact CB-CB 4.45Å
340V97.2Very high97.5Very high25 Ų2544.5 Ų44.515%0.15224%0.242CC..EExtended strand (participates in β ladder)trans-119.4119.3173.5-178.20000108.1I322 I324 V357 R358 L359I322-V340 HydrophobicContact CB-CB 4.46Å; I322-V340 HydrophobicContact CB-CG1 4.33Å; I322-V340 HydrophobicContact CB-CG2 4.06Å; I322-V340 HydrophobicContact CD1-CG2 4.1Å; I322-V340 HydrophobicContact CG2-CG1 4.23Å; I322-V340 WeakPolarHBondContact O-CA 3.01Å; I324-V340 HydrophobicContact CD1-CG1 3.59Å; I324-V340 HydrophobicContact CG1-CG1 4.24Å; V340-V357 PolarHBondContact N-O 2.74Å; V340-R358 WeakPolarHBondContact O-CA 3.28Å; V340-L359 PolarHBondContact O-N 3.21Å
341I97.9Very high97.5Very high0 Ų042.3 Ų42.30%023%0.232CC..EExtended strand (participates in β ladder)trans-122.2121.6-171.5-44.7-62.4000108.8I322 I323 I324 V327 I335 A339 V345 I347 I353 L359I322-I341 PolarHBondContact O-N 3.44Å; I323-I341 WeakPolarHBondContact CA-O 3.35Å; I323-I341 HydrophobicContact CD1-CB 3.89Å; I323-I341 HydrophobicContact CD1-CG1 4.19Å; I324-I341 PolarHBondContact N-O 3.06Å; V327-I341 HydrophobicContact CG1-CB 4.49Å; V327-I341 HydrophobicContact CG1-CG2 3.62Å; V327-I341 HydrophobicContact CG2-CG2 4.18Å; I335-I341 HydrophobicContact CG2-CD1 4.48Å; I335-I341 HydrophobicContact CG2-CG1 4.39Å; A339-I341 HydrophobicContact CB-CD1 4.01Å; I341-V345 HydrophobicContact CG2-CB 3.8Å; I341-V345 HydrophobicContact CG2-CG1 3.61Å; I341-V345 HydrophobicContact CG2-CG2 4.25Å; I341-I347 HydrophobicContact CD1-CD1 4.44Å; I341-I347 HydrophobicContact CG2-CD1 3.96Å; I341-I353 HydrophobicContact CD1-CG2 4.1Å; I341-L359 HydrophobicContact CD1-CB 4.12Å; I341-L359 HydrophobicContact CD1-CD1 3.83Å; I341-L359 HydrophobicContact CD1-CG 3.89Å; I341-L359 HydrophobicContact CG2-CB 4.33Å
342G96.6Very high97.6Very high6 Ų639.1 Ų39.16%0.06221%0.21CC..  trans116.1174.4171.800000115.2I324 L359I324-G342 WeakPolarHBondContact O-CA 3.31Å; G342-L359 PolarHBondContact N-O 2.97Å
343P96.7Very high97.6Very high41 Ų4135.6 Ų35.627%0.26619%0.188SC..SBendcis-73.8166.5-2.432.1-39000114.5I324 R360 E361I324-P343 WeakPolarHBondContact O-CA 3.46Å; P343-R360 HydrophobicContact CG-CG 4.36Å; P343-E361 PolarHBondContact O-N 2.86Å
344N97.7Very high97.7Very high16 Ų1637.5 Ų37.59%0.08619%0.194CC..SBendtrans65.441.5166.8-53.3-44.7000114.6N270 R271 H326 E361 C362N270-N344 PolarHBondContact ND2-O 3.25Å; N270-N344 VanDerWaalsContact ND2-O 3.15Å; R271-N344 HydrophobicContact CB-CB 3.97Å; R271-N344 HydrophobicContact CG-CB 4.26Å; R271-N344 PolarHBondContact NE-ND2 3.28Å; H326-N344 VanDerWaalsContact O-CA 3.3Å; H326-N344 WeakPolarHBondContact O-CA 3.13Å; H326-N344 PolarHBondContact O-N 3.27Å; N344-E361 WeakPolarHBondContact CB-OE2 3.17Å; N344-E361 PolarHBondContact ND2-OE1 3.21Å; N344-C362 PolarHBondContact O-N 2.8Å
345V98.7Very high97.7Very high0 Ų035.6 Ų35.60%018%0.183CC..EExtended strand (participates in β ladder)trans-106.5140.6-178.4176.30000110.9V327 F328 I341 I347 L359 C362V327-V345 CarbonylContact C-O 3.59Å; V327-V345 VanDerWaalsContact CA-O 3.29Å; V327-V345 WeakPolarHBondContact CA-O 3.42Å; V327-V345 HydrophobicContact CG1-CB 4.32Å; V327-V345 HydrophobicContact CG2-CB 4.29Å; F328-V345 PolarHBondContact N-O 3.4Å; I341-V345 HydrophobicContact CG2-CB 3.8Å; I341-V345 HydrophobicContact CG2-CG1 3.61Å; I341-V345 HydrophobicContact CG2-CG2 4.25Å; V345-I347 HydrophobicContact CG1-CD1 4.28Å; V345-I347 HydrophobicContact CG1-CG1 3.86Å; V345-L359 HydrophobicContact CG1-CB 4.18Å; V345-L359 HydrophobicContact CG1-CD1 4.11Å; V345-L359 HydrophobicContact CG2-CB 3.99Å; V345-C362 VanDerWaalsContact CA-O 3.3Å; V345-C362 WeakPolarHBondContact CA-O 3.39Å
346S98.8Very high97.7Very high3 Ų334.5 Ų34.52%0.02118%0.179CC..EExtended strand (participates in β ladder)trans-127.8128169.4-60.50000110.6A45 N270 F328 C362 V364A45-S346 WeakPolarHBondContact CA-OG 3.46Å; N270-S346 PolarHBondContact ND2-OG 3.46Å; N270-S346 VanDerWaalsContact ND2-OG 3.12Å; N270-S346 PolarHBondContact OD1-OG 3.37Å; F328-S346 WeakPolarHBondContact O-CA 3.19Å; S346-C362 PolarHBondContact N-O 2.82Å; S346-V364 PolarHBondContact O-N 3.49Å
347I98.8Very high97.8Very high1 Ų132 Ų321%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-115.5120.9-176.6-57.5-179.4000108.9F328 I329 H330 A333 I335 I341 V345 A351 I353 L359 V364F328-I347 PolarHBondContact O-N 2.94Å; I329-I347 HydrophobicContact CG1-CD1 4.23Å; H330-I347 WeakPolarHBondContact CB-O 3.42Å; H330-I347 PolarHBondContact N-O 2.96Å; A333-I347 HydrophobicContact CB-CG2 3.77Å; I335-I347 HydrophobicContact CD1-CD1 3.67Å; I335-I347 HydrophobicContact CG1-CD1 4.46Å; I341-I347 HydrophobicContact CD1-CD1 4.44Å; I341-I347 HydrophobicContact CG2-CD1 3.96Å; V345-I347 HydrophobicContact CG1-CD1 4.28Å; V345-I347 HydrophobicContact CG1-CG1 3.86Å; I347-A351 HydrophobicContact CG2-CB 3.62Å; I347-I353 HydrophobicContact CD1-CG1 4.05Å; I347-L359 HydrophobicContact CD1-CD1 4.06Å; I347-L359 HydrophobicContact CG1-CD1 4.49Å; I347-V364 HydrophobicContact CG1-CB 4.38Å
348G98.2Very high98Very high17 Ų1728.9 Ų28.918%0.17515%0.154CC..  trans-80.5179.2-176.100000114.4A351 V364G348-A351 WeakPolarHBondContact O-CB 3.45Å; G348-A351 PolarHBondContact O-N 2.87Å; G348-V364 PolarHBondContact N-O 2.69Å
349E98Very high98.2Very high58 Ų5825.9 Ų25.927%0.27114%0.136SC..THydrogen-bonded Turntrans-53.2135.6179.3-74165.1-113.500113.3H330 T332 A351 R366 D367H330-E349 WeakPolarHBondContact CE1-CG 2.94Å; H330-E349 WeakPolarHBondContact ND1-CG 3.36Å; H330-E349 WeakPolarHBondContact NE2-CG 3.18Å; T332-E349 WeakPolarHBondContact OG1-CA 3.46Å; E349-A351 PolarHBondContact O-N 2.84Å; E349-R366 HydrophobicContact CB-CB 4.12Å; E349-R366 HydrophobicContact CB-CG 3.9Å; E349-R366 CarbonylContact O-C 3.51Å; E349-R366 WeakPolarHBondContact O-CA 3.41Å; E349-R366 WeakPolarHBondContact O-CG 3.41Å; E349-R366 IonicContact OE1-CZ 3.96Å; E349-R366 IonicContact OE1-NE 3.48Å; E349-R366 PolarHBondContact OE1-NE 3.18Å; E349-R366 IonicContact OE1-NH2 3.49Å; E349-R366 PolarHBondContact OE1-NH2 2.6Å; E349-R366 IonicContact OE2-CZ 2.84Å; E349-R366 IonicContact OE2-NE 3.32Å; E349-R366 PolarHBondContact OE2-NE 3.32Å; E349-R366 IonicContact OE2-NH2 3.04Å; E349-R366 PolarHBondContact OE2-NH2 3.44Å; E349-D367 PolarHBondContact O-N 2.93Å
350R98.6Very high98.2Very high115 Ų11531.2 Ų31.243%0.43416%0.156SC..THydrogen-bonded Turntrans55.413174.1-57.8-174.4-60.4-84.90.6115.1T332 D367T332-R350 WeakPolarHBondContact O-CA 3.41Å; T332-R350 PolarHBondContact OG1-N 3.01Å; R350-D367 WeakPolarHBondContact CB-OD1 3.24Å; R350-D367 IonicContact CZ-OD1 3.92Å; R350-D367 VanDerWaalsContact CZ-OD1 3.29Å; R350-D367 IonicContact CZ-OD2 3.7Å; R350-D367 IonicContact NE-OD1 3.91Å; R350-D367 PolarHBondContact NE-OD1 3.01Å; R350-D367 IonicContact NE-OD2 3.98Å; R350-D367 VanDerWaalsContact NH2-CG 3.33Å; R350-D367 IonicContact NH2-OD1 2.57Å; R350-D367 PolarHBondContact NH2-OD1 2.81Å; R350-D367 VanDerWaalsContact NH2-OD1 3.11Å; R350-D367 IonicContact NH2-OD2 3.56Å; R350-D367 PolarHBondContact NH2-OD2 2.96Å
351A98.8Very high98.2Very high0 Ų030.7 Ų30.70%015%0.152CC..  trans-64.2142.7173.100000109.9A333 S334 I347 G348 E349 V364 V368A333-A351 CarbonylContact C-O 3.52Å; A333-A351 WeakPolarHBondContact CA-O 3.47Å; A333-A351 HydrophobicContact CB-CB 4.49Å; S334-A351 PolarHBondContact N-O 2.83Å; I347-A351 HydrophobicContact CG2-CB 3.62Å; G348-A351 WeakPolarHBondContact O-CB 3.45Å; G348-A351 PolarHBondContact O-N 2.87Å; E349-A351 PolarHBondContact O-N 2.84Å; A351-V364 HydrophobicContact CB-CG1 4.01Å; A351-V368 CarbonylContact C-O 3.53Å; A351-V368 WeakPolarHBondContact CA-O 3.19Å
352V98.8Very high98.2Very high54 Ų5430.7 Ų30.733%0.32715%0.152SC..EExtended strand (participates in β ladder)trans-117.5114.7-178.4-179.10000108.7S334 Q354 V368 E369 I370S334-V352 CarbonylContact O-C 3.58Å; S334-V352 WeakPolarHBondContact O-CA 3.13Å; V352-Q354 HydrophobicContact CG1-CG 4.25Å; V352-V368 PolarHBondContact N-O 3.15Å; V352-E369 HydrophobicContact CB-CG 4.3Å; V352-E369 CarbonylContact O-C 3.56Å; V352-E369 WeakPolarHBondContact O-CA 3.23Å; V352-I370 PolarHBondContact O-N 2.84Å
353I98.7Very high98.3Very high2 Ų230.6 Ų30.61%0.0115%0.15CC..EExtended strand (participates in β ladder)trans-110.1111.5177.3-52-55.3000108.5S334 I335 D336 A339 I341 I347 V357 L359 V364 I370S334-I353 PolarHBondContact O-N 3.43Å; I335-I353 HydrophobicContact CB-CB 4.32Å; I335-I353 HydrophobicContact CG1-CB 4.11Å; I335-I353 HydrophobicContact CG1-CG1 4.02Å; I335-I353 HydrophobicContact CG2-CB 4.08Å; I335-I353 HydrophobicContact CG2-CG2 4.24Å; D336-I353 PolarHBondContact N-O 3.02Å; A339-I353 HydrophobicContact CB-CG2 4.01Å; I341-I353 HydrophobicContact CD1-CG2 4.1Å; I347-I353 HydrophobicContact CD1-CG1 4.05Å; I353-V357 HydrophobicContact CG2-CB 3.67Å; I353-V357 HydrophobicContact CG2-CG1 3.67Å; I353-V357 HydrophobicContact CG2-CG2 4.15Å; I353-L359 HydrophobicContact CD1-CD1 4.08Å; I353-V364 HydrophobicContact CD1-CG1 4.34Å; I353-I370 HydrophobicContact CD1-CB 3.97Å; I353-I370 HydrophobicContact CD1-CD1 3.83Å; I353-I370 HydrophobicContact CD1-CG1 3.9Å
354Q98.8Very high98.4Very high58 Ų5828.7 Ų28.727%0.27114%0.137SC..  trans-85.2-178.6-175.3-63.7-172.7-9.300113D336 V352 V357 E369 I370 A372D336-Q354 VanDerWaalsContact CB-C 3.49Å; V352-Q354 HydrophobicContact CG1-CG 4.25Å; Q354-V357 VanDerWaalsContact O-CG2 3.24Å; Q354-V357 WeakPolarHBondContact O-CG2 3.26Å; Q354-V357 PolarHBondContact O-N 3.12Å; Q354-E369 PolarHBondContact NE2-OE1 2.86Å; Q354-I370 WeakPolarHBondContact CB-O 3.18Å; Q354-I370 PolarHBondContact N-O 3.05Å; Q354-A372 VanDerWaalsContact OE1-N 3.13Å
355A98.3Very high98.5Very high34 Ų3428 Ų2828%0.28113%0.134SC..THydrogen-bonded Turntrans-56.8139.4-173.800000113.2D336 T338 V357 A372 H373D336-A355 HydrophobicContact CB-CB 4.45Å; D336-A355 WeakPolarHBondContact OD1-CA 3.44Å; T338-A355 WeakPolarHBondContact OG1-CA 3.48Å; A355-V357 PolarHBondContact O-N 3.15Å; A355-V357 VanDerWaalsContact O-N 3.08Å; A355-A372 CarbonylContact O-C 3.48Å; A355-A372 WeakPolarHBondContact O-CA 3.48Å; A355-H373 PolarHBondContact O-N 3.37Å
356G97.7Very high98.4Very high8 Ų832.9 Ų32.98%0.08215%0.152CC..THydrogen-bonded Turntrans69.33.8173.400000115.9T338 R358T338-G356 PolarHBondContact OG1-N 2.91Å; G356-R358 PolarHBondContact O-NH1 3.43Å
357V98.8Very high98.4Very high0 Ų035.1 Ų35.10%016%0.164CC..  trans-62.3147179.5170.80000111.6A339 V340 I353 Q354 A355 L359 I370 R371 A374A339-V357 WeakPolarHBondContact CA-O 3.49Å; A339-V357 HydrophobicContact CB-CB 4.45Å; V340-V357 PolarHBondContact N-O 2.74Å; I353-V357 HydrophobicContact CG2-CB 3.67Å; I353-V357 HydrophobicContact CG2-CG1 3.67Å; I353-V357 HydrophobicContact CG2-CG2 4.15Å; Q354-V357 VanDerWaalsContact O-CG2 3.24Å; Q354-V357 WeakPolarHBondContact O-CG2 3.26Å; Q354-V357 PolarHBondContact O-N 3.12Å; A355-V357 PolarHBondContact O-N 3.15Å; A355-V357 VanDerWaalsContact O-N 3.08Å; V357-L359 HydrophobicContact CG1-CD2 3.75Å; V357-L359 HydrophobicContact CG1-CG 3.89Å; V357-I370 HydrophobicContact CB-CG2 4.44Å; V357-I370 HydrophobicContact CG1-CB 4.43Å; V357-I370 HydrophobicContact CG1-CG2 3.66Å; V357-I370 HydrophobicContact CG2-CB 4.49Å; V357-I370 HydrophobicContact CG2-CG2 3.81Å; V357-R371 WeakPolarHBondContact CG2-O 3.21Å; V357-A374 WeakPolarHBondContact CA-O 3.41Å
358R98.6Very high98.4Very high103 Ų10335.1 Ų35.139%0.38916%0.164SC..EExtended strand (participates in β ladder)trans-126115.6178.1-56.2-62.4177.3-111.16.3111T338 V340 G356 A374 C375 C376T338-R358 PolarHBondContact O-NH1 3.23Å; V340-R358 WeakPolarHBondContact O-CA 3.28Å; G356-R358 PolarHBondContact O-NH1 3.43Å; R358-A374 PolarHBondContact N-O 2.97Å; R358-C375 HydrophobicContact CB-CB 4.34Å; R358-C375 CarbonylContact O-C 3.54Å; R358-C375 WeakPolarHBondContact O-CA 3.34Å; R358-C376 PolarHBondContact O-N 2.85Å
359L98.7Very high98.4Very high3 Ų336.9 Ų36.92%0.01617%0.167CC..EExtended strand (participates in β ladder)trans-120.1133.2-179.3-60.6-169.8000111.2V340 I341 G342 V345 I347 I353 V357 V364 I370 C376V340-L359 PolarHBondContact O-N 3.21Å; I341-L359 HydrophobicContact CD1-CB 4.12Å; I341-L359 HydrophobicContact CD1-CD1 3.83Å; I341-L359 HydrophobicContact CD1-CG 3.89Å; I341-L359 HydrophobicContact CG2-CB 4.33Å; G342-L359 PolarHBondContact N-O 2.97Å; V345-L359 HydrophobicContact CG1-CB 4.18Å; V345-L359 HydrophobicContact CG1-CD1 4.11Å; V345-L359 HydrophobicContact CG2-CB 3.99Å; I347-L359 HydrophobicContact CD1-CD1 4.06Å; I347-L359 HydrophobicContact CG1-CD1 4.49Å; I353-L359 HydrophobicContact CD1-CD1 4.08Å; V357-L359 HydrophobicContact CG1-CD2 3.75Å; V357-L359 HydrophobicContact CG1-CG 3.89Å; L359-V364 HydrophobicContact CD1-CG2 3.89Å; L359-I370 HydrophobicContact CD1-CD1 4.35Å; L359-I370 HydrophobicContact CD2-CD1 3.75Å; L359-C376 WeakPolarHBondContact CA-O 3.12Å; L359-C376 HydrophobicContact CD2-CB 3.64Å
360R98.1Very high98.5Very high111 Ų11134.1 Ų34.142%0.41915%0.154SC..EExtended strand (participates in β ladder)trans-151.6138.7172.7175-177.178.5170.92.7110.5P343 C362 C376 L377 N378P343-R360 HydrophobicContact CG-CG 4.36Å; R360-C362 VanDerWaalsContact C-N 3.29Å; R360-C362 PolarHBondContact O-N 3.21Å; R360-C376 PolarHBondContact N-O 3.28Å; R360-C376 VanDerWaalsContact N-O 3.09Å; R360-L377 HydrophobicContact CB-CD2 3.66Å; R360-L377 VanDerWaalsContact O-CA 3.3Å; R360-L377 WeakPolarHBondContact O-CA 3.46Å; R360-N378 PolarHBondContact O-N 2.83Å; R360-N378 VanDerWaalsContact O-N 3.08Å
361E97.7Very high98.5Very high15 Ų1532.7 Ų32.77%0.0715%0.149CC..EExtended strand (participates in β ladder)trans51.848.6179.4-61.9-68.4164.400111.7I267 R271 P343 N344 N378 A379I267-E361 HydrophobicContact CG2-CB 4.02Å; R271-E361 IonicContact CZ-OE1 3.12Å; R271-E361 IonicContact CZ-OE2 2.71Å; R271-E361 IonicContact NE-OE1 2.76Å; R271-E361 PolarHBondContact NE-OE1 2.9Å; R271-E361 VanDerWaalsContact NE-OE1 3.1Å; R271-E361 IonicContact NE-OE2 3.84Å; R271-E361 PolarHBondContact NE-OE2 3.23Å; R271-E361 VanDerWaalsContact NE-OE2 3.16Å; R271-E361 IonicContact NH2-OE1 3.34Å; R271-E361 PolarHBondContact NH2-OE1 2.88Å; R271-E361 IonicContact NH2-OE2 3.1Å; R271-E361 PolarHBondContact NH2-OE2 3.43Å; P343-E361 PolarHBondContact O-N 2.86Å; N344-E361 WeakPolarHBondContact CB-OE2 3.17Å; N344-E361 PolarHBondContact ND2-OE1 3.21Å; E361-N378 VanDerWaalsContact CB-OD1 3.28Å; E361-N378 WeakPolarHBondContact CB-OD1 3.18Å; E361-N378 CarbonylContact O-C 3.52Å; E361-N378 WeakPolarHBondContact O-CA 3.38Å; E361-N378 PolarHBondContact O-N 2.87Å; E361-A379 PolarHBondContact O-N 2.91Å
362C97.6Very high98.5Very high0 Ų033.4 Ų33.40%016%0.155CC..EExtended strand (participates in β ladder)trans-136.9152.2-174.870.60000113.5N344 V345 S346 R360 A379N344-C362 PolarHBondContact O-N 2.8Å; V345-C362 VanDerWaalsContact CA-O 3.3Å; V345-C362 WeakPolarHBondContact CA-O 3.39Å; S346-C362 PolarHBondContact N-O 2.82Å; R360-C362 VanDerWaalsContact C-N 3.29Å; R360-C362 PolarHBondContact O-N 3.21Å; C362-A379 CarbonylContact C-O 3.47Å; C362-A379 WeakPolarHBondContact CA-O 3.09Å; C362-A379 WeakPolarHBondContact CB-O 3.15Å
363I98.7Very high98.5Very high4 Ų434.8 Ų34.82%0.02116%0.158CC..EExtended strand (participates in β ladder)trans-113.7116.4170.5-61.8172.4000106.8F42 V266 I267 N270 L365 A379 V380 I381F42-I363 HydrophobicContact CE1-CD1 4.1Å; F42-I363 HydrophobicContact CZ-CG2 4.49Å; V266-I363 HydrophobicContact CB-CD1 3.88Å; V266-I363 HydrophobicContact CG2-CD1 3.58Å; I267-I363 HydrophobicContact CD1-CD1 4.16Å; I267-I363 HydrophobicContact CD1-CG1 3.93Å; N270-I363 HydrophobicContact CB-CD1 3.96Å; N270-I363 HydrophobicContact CB-CG1 4.13Å; I363-L365 HydrophobicContact CG2-CD2 3.6Å; I363-L365 HydrophobicContact CG2-CG 4.29Å; I363-A379 PolarHBondContact N-O 3.16Å; I363-V380 HydrophobicContact CB-CG1 4.45Å; I363-V380 HydrophobicContact CB-CG2 4.45Å; I363-V380 WeakPolarHBondContact O-CA 3.27Å; I363-I381 PolarHBondContact O-N 2.8Å
364V98.8Very high98.5Very high1 Ų134.7 Ų34.71%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-101.8112.1175.2177.80000107.2S346 I347 G348 A351 I353 L359 V368 I370 I381S346-V364 PolarHBondContact O-N 3.49Å; I347-V364 HydrophobicContact CG1-CB 4.38Å; G348-V364 PolarHBondContact N-O 2.69Å; A351-V364 HydrophobicContact CB-CG1 4.01Å; I353-V364 HydrophobicContact CD1-CG1 4.34Å; L359-V364 HydrophobicContact CD1-CG2 3.89Å; V364-V368 HydrophobicContact CG1-CB 3.65Å; V364-V368 HydrophobicContact CG1-CG1 3.65Å; V364-V368 HydrophobicContact CG1-CG2 4.27Å; V364-I370 HydrophobicContact CG1-CD1 4.27Å; V364-I370 HydrophobicContact CG2-CD1 3.83Å; V364-I381 HydrophobicContact CG2-CG1 4.46Å
365L98.5Very high98.5Very high2 Ų232.9 Ų32.91%0.0115%0.151CC..  trans-80.5176.7-175.7-62179.8000112.1F42 P43 I363 V368 V380 I381 W383F42-L365 HydrophobicContact CE2-CD1 3.91Å; F42-L365 HydrophobicContact CE2-CD2 4.32Å; F42-L365 HydrophobicContact CZ-CD1 4.37Å; F42-L365 HydrophobicContact CZ-CD2 4.24Å; P43-L365 HydrophobicContact CG-CD2 3.44Å; P43-L365 VanDerWaalsContact CG-CD2 3.44Å; I363-L365 HydrophobicContact CG2-CD2 3.6Å; I363-L365 HydrophobicContact CG2-CG 4.29Å; L365-V368 HydrophobicContact CB-CG2 4.49Å; L365-V368 WeakPolarHBondContact O-CB 3.42Å; L365-V368 VanDerWaalsContact O-CG2 3.25Å; L365-V368 WeakPolarHBondContact O-CG2 3.29Å; L365-V368 PolarHBondContact O-N 3.05Å; L365-V380 HydrophobicContact CD1-CG1 4.4Å; L365-I381 VanDerWaalsContact CB-O 3.29Å; L365-I381 WeakPolarHBondContact CB-O 3.25Å; L365-I381 VanDerWaalsContact CG-O 3.27Å; L365-I381 WeakPolarHBondContact CG-O 3.24Å; L365-I381 PolarHBondContact N-O 3.38Å; L365-W383 HydrophobicContact CB-CD2 4.24Å; L365-W383 HydrophobicContact CB-CG 4.14Å; L365-W383 HydrophobicContact CD1-CD2 3.64Å; L365-W383 HydrophobicContact CD1-CE3 3.69Å; L365-W383 HydrophobicContact CD1-CG 4.38Å; L365-W383 HydrophobicContact CD1-CH2 3.7Å; L365-W383 HydrophobicContact CD1-CZ2 3.63Å; L365-W383 HydrophobicContact CD1-CZ3 3.72Å
366R98Very high98.5Very high101 Ų10131.3 Ų31.338%0.38114%0.138SC..THydrogen-bonded Turntrans-58.7143.3-177.3164.4-163.2-64-1695.2111.2E349 V368 W383 N384E349-R366 HydrophobicContact CB-CB 4.12Å; E349-R366 HydrophobicContact CB-CG 3.9Å; E349-R366 CarbonylContact O-C 3.51Å; E349-R366 WeakPolarHBondContact O-CA 3.41Å; E349-R366 WeakPolarHBondContact O-CG 3.41Å; E349-R366 IonicContact OE1-CZ 3.96Å; E349-R366 IonicContact OE1-NE 3.48Å; E349-R366 PolarHBondContact OE1-NE 3.18Å; E349-R366 IonicContact OE1-NH2 3.49Å; E349-R366 PolarHBondContact OE1-NH2 2.6Å; E349-R366 IonicContact OE2-CZ 2.84Å; E349-R366 IonicContact OE2-NE 3.32Å; E349-R366 PolarHBondContact OE2-NE 3.32Å; E349-R366 IonicContact OE2-NH2 3.04Å; E349-R366 PolarHBondContact OE2-NH2 3.44Å; R366-V368 PolarHBondContact O-N 3.4Å; R366-W383 WeakPolarHBondContact O-CA 3.5Å; R366-N384 PolarHBondContact O-N 3.2Å
367D98.6Very high98.5Very high51 Ų5131.8 Ų31.827%0.27314%0.139SC..THydrogen-bonded Turntrans6020.3177.9-59.5-47.7000114.3E349 R350 N384E349-D367 PolarHBondContact O-N 2.93Å; R350-D367 WeakPolarHBondContact CB-OD1 3.24Å; R350-D367 IonicContact CZ-OD1 3.92Å; R350-D367 VanDerWaalsContact CZ-OD1 3.29Å; R350-D367 IonicContact CZ-OD2 3.7Å; R350-D367 IonicContact NE-OD1 3.91Å; R350-D367 PolarHBondContact NE-OD1 3.01Å; R350-D367 IonicContact NE-OD2 3.98Å; R350-D367 VanDerWaalsContact NH2-CG 3.33Å; R350-D367 IonicContact NH2-OD1 2.57Å; R350-D367 PolarHBondContact NH2-OD1 2.81Å; R350-D367 VanDerWaalsContact NH2-OD1 3.11Å; R350-D367 IonicContact NH2-OD2 3.56Å; R350-D367 PolarHBondContact NH2-OD2 2.96Å; D367-N384 WeakPolarHBondContact CB-OD1 3.33Å; D367-N384 WeakPolarHBondContact O-CA 3.22Å
368V98.8Very high98.5Very high1 Ų132.2 Ų32.21%0.00614%0.141CC..  trans-78.5135.8173.11710000110.9A351 V352 V364 L365 R366 I370 I381 G382 T385A351-V368 CarbonylContact C-O 3.53Å; A351-V368 WeakPolarHBondContact CA-O 3.19Å; V352-V368 PolarHBondContact N-O 3.15Å; V364-V368 HydrophobicContact CG1-CB 3.65Å; V364-V368 HydrophobicContact CG1-CG1 3.65Å; V364-V368 HydrophobicContact CG1-CG2 4.27Å; L365-V368 HydrophobicContact CB-CG2 4.49Å; L365-V368 WeakPolarHBondContact O-CB 3.42Å; L365-V368 VanDerWaalsContact O-CG2 3.25Å; L365-V368 WeakPolarHBondContact O-CG2 3.29Å; L365-V368 PolarHBondContact O-N 3.05Å; R366-V368 PolarHBondContact O-N 3.4Å; V368-I370 HydrophobicContact CG1-CD1 4.34Å; V368-I370 HydrophobicContact CG1-CG1 3.8Å; V368-I381 HydrophobicContact CB-CG2 4.47Å; V368-I381 HydrophobicContact CG1-CB 4.32Å; V368-I381 HydrophobicContact CG1-CG2 3.58Å; V368-I381 HydrophobicContact CG2-CB 4.48Å; V368-I381 HydrophobicContact CG2-CG2 3.99Å; V368-G382 WeakPolarHBondContact CG2-O 3.39Å; V368-T385 WeakPolarHBondContact CA-O 3.34Å
369E98.9Very high98.4Very high53 Ų5327.3 Ų27.325%0.24812%0.122CC..EExtended strand (participates in β ladder)trans-109.8120.9170.2-173.7-173.7152.300109.8V352 Q354 R371 T385 V386 I387V352-E369 HydrophobicContact CB-CG 4.3Å; V352-E369 CarbonylContact O-C 3.56Å; V352-E369 WeakPolarHBondContact O-CA 3.23Å; Q354-E369 PolarHBondContact NE2-OE1 2.86Å; E369-R371 HydrophobicContact CG-CG 4.21Å; E369-R371 WeakPolarHBondContact OE1-CG 3.34Å; E369-R371 IonicContact OE1-CZ 2.68Å; E369-R371 IonicContact OE1-NE 3.7Å; E369-R371 PolarHBondContact OE1-NE 3.1Å; E369-R371 IonicContact OE1-NH2 3.48Å; E369-R371 IonicContact OE2-NH2 2.65Å; E369-T385 PolarHBondContact N-O 2.95Å; E369-V386 HydrophobicContact CB-CG1 4.48Å; E369-V386 HydrophobicContact CB-CG2 4.32Å; E369-V386 CarbonylContact O-C 3.59Å; E369-V386 WeakPolarHBondContact O-CA 3.42Å; E369-I387 PolarHBondContact O-N 3.43Å
370I98.9Very high98.4Very high0 Ų027.1 Ų27.10%012%0.121CC..EExtended strand (participates in β ladder)trans-111.9110.6172.3-53.7-173.7000108.1V352 I353 Q354 V357 L359 V364 V368 A374 I387V352-I370 PolarHBondContact O-N 2.84Å; I353-I370 HydrophobicContact CD1-CB 3.97Å; I353-I370 HydrophobicContact CD1-CD1 3.83Å; I353-I370 HydrophobicContact CD1-CG1 3.9Å; Q354-I370 WeakPolarHBondContact CB-O 3.18Å; Q354-I370 PolarHBondContact N-O 3.05Å; V357-I370 HydrophobicContact CB-CG2 4.44Å; V357-I370 HydrophobicContact CG1-CB 4.43Å; V357-I370 HydrophobicContact CG1-CG2 3.66Å; V357-I370 HydrophobicContact CG2-CB 4.49Å; V357-I370 HydrophobicContact CG2-CG2 3.81Å; L359-I370 HydrophobicContact CD1-CD1 4.35Å; L359-I370 HydrophobicContact CD2-CD1 3.75Å; V364-I370 HydrophobicContact CG1-CD1 4.27Å; V364-I370 HydrophobicContact CG2-CD1 3.83Å; V368-I370 HydrophobicContact CG1-CD1 4.34Å; V368-I370 HydrophobicContact CG1-CG1 3.8Å; I370-A374 HydrophobicContact CG2-CB 3.73Å; I370-I387 HydrophobicContact CB-CB 4.45Å; I370-I387 HydrophobicContact CG1-CB 4.34Å; I370-I387 HydrophobicContact CG1-CG1 4.12Å; I370-I387 HydrophobicContact CG2-CB 4.16Å; I370-I387 HydrophobicContact CG2-CG2 4.35Å
371R98.9Very high98.4Very high85 Ų8521.9 Ų21.932%0.32110%0.101SC..  trans-79.8169.6-173-63.8-172176.6151.84.9113.4V357 E369 H373 A374 I387 E389V357-R371 WeakPolarHBondContact CG2-O 3.21Å; E369-R371 HydrophobicContact CG-CG 4.21Å; E369-R371 WeakPolarHBondContact OE1-CG 3.34Å; E369-R371 IonicContact OE1-CZ 2.68Å; E369-R371 IonicContact OE1-NE 3.7Å; E369-R371 PolarHBondContact OE1-NE 3.1Å; E369-R371 IonicContact OE1-NH2 3.48Å; E369-R371 IonicContact OE2-NH2 2.65Å; R371-H373 PolarHBondContact O-N 3.49Å; R371-A374 VanDerWaalsContact O-CB 3.28Å; R371-A374 WeakPolarHBondContact O-CB 3.14Å; R371-A374 PolarHBondContact O-N 3.04Å; R371-I387 VanDerWaalsContact CB-O 3.23Å; R371-I387 WeakPolarHBondContact CB-O 3.49Å; R371-I387 WeakPolarHBondContact CG-O 3.48Å; R371-I387 PolarHBondContact N-O 2.93Å; R371-E389 HydrophobicContact CB-CG 3.77Å
372A98.8Very high98.4Very high16 Ų1621.1 Ų21.113%0.13210%0.098CC..THydrogen-bonded Turntrans-50.4136.2-168.300000113.2Q354 A355 A374 E389 W390Q354-A372 VanDerWaalsContact OE1-N 3.13Å; A355-A372 CarbonylContact O-C 3.48Å; A355-A372 WeakPolarHBondContact O-CA 3.48Å; A372-A374 PolarHBondContact O-N 3.41Å; A372-E389 HydrophobicContact CB-CG 4.29Å; A372-E389 CarbonylContact O-C 3.58Å; A372-E389 VanDerWaalsContact O-CA 3.24Å; A372-E389 WeakPolarHBondContact O-CA 3.3Å; A372-W390 PolarHBondContact O-N 2.86Å
373H98.6Very high98.4Very high83 Ų8322.8 Ų22.838%0.38410%0.104SC..THydrogen-bonded Turntrans61.57.5176.3-51.7-71.6000116.2A355 R371 W390A355-H373 PolarHBondContact O-N 3.37Å; R371-H373 PolarHBondContact O-N 3.49Å; H373-W390 HydrophobicContact CB-CD2 3.58Å; H373-W390 HydrophobicContact CB-CE3 3.72Å; H373-W390 HydrophobicContact CB-CG 4.19Å; H373-W390 HydrophobicContact CB-CH2 3.93Å; H373-W390 HydrophobicContact CB-CZ2 3.79Å; H373-W390 HydrophobicContact CB-CZ3 3.9Å; H373-W390 AromaticContact CD2-CE2 3.77Å; H373-W390 AromaticContact CD2-CZ2 3.6Å; H373-W390 AromaticContact CD2-NE1 3.94Å; H373-W390 AromaticContact CG-CE2 3.79Å; H373-W390 AromaticContact CG-CH2 3.87Å; H373-W390 AromaticContact CG-CZ2 3.57Å
374A98.8Very high98.3Very high0 Ų026 Ų260%012%0.122CC..  trans-67.6154.5173.400000112V357 R358 I370 R371 A372 I387 A391V357-A374 WeakPolarHBondContact CA-O 3.41Å; R358-A374 PolarHBondContact N-O 2.97Å; I370-A374 HydrophobicContact CG2-CB 3.73Å; R371-A374 VanDerWaalsContact O-CB 3.28Å; R371-A374 WeakPolarHBondContact O-CB 3.14Å; R371-A374 PolarHBondContact O-N 3.04Å; A372-A374 PolarHBondContact O-N 3.41Å; A374-I387 HydrophobicContact CB-CG2 3.88Å; A374-A391 CarbonylContact C-O 3.57Å; A374-A391 WeakPolarHBondContact CA-O 3.44Å; A374-A391 WeakPolarHBondContact CB-O 3.24Å
375C98.7Very high98.3Very high20 Ų2026 Ų2614%0.13512%0.122CC..EExtended strand (participates in β ladder)trans-130.3124.2-179.2-177.30000111.1R358 A391 R392 V393R358-C375 HydrophobicContact CB-CB 4.34Å; R358-C375 CarbonylContact O-C 3.54Å; R358-C375 WeakPolarHBondContact O-CA 3.34Å; C375-A391 PolarHBondContact N-O 3.44Å; C375-R392 CarbonylContact O-C 3.54Å; C375-R392 WeakPolarHBondContact O-CA 3.5Å; C375-R392 PolarHBondContact SG-NH1 2.82Å; C375-V393 PolarHBondContact O-N 2.71Å
376C98.7Very high98.3Very high0 Ų027.1 Ų27.10%013%0.128CC..EExtended strand (participates in β ladder)trans-121.4123.7175.7-580000111.4R358 L359 R360 V393R358-C376 PolarHBondContact O-N 2.85Å; L359-C376 WeakPolarHBondContact CA-O 3.12Å; L359-C376 HydrophobicContact CD2-CB 3.64Å; R360-C376 PolarHBondContact N-O 3.28Å; R360-C376 VanDerWaalsContact N-O 3.09Å; C376-V393 CarbonylContact C-O 3.56Å; C376-V393 WeakPolarHBondContact CA-O 3.38Å; C376-V393 HydrophobicContact CB-CB 4.49Å
377L98.1Very high98.4Very high19 Ų1922.3 Ų22.310%0.09911%0.11CC..EExtended strand (participates in β ladder)trans-134.7128.6-175.6-54.6174.4000110.5R360 A379 R392 V393 E394 G395R360-L377 HydrophobicContact CB-CD2 3.66Å; R360-L377 VanDerWaalsContact O-CA 3.3Å; R360-L377 WeakPolarHBondContact O-CA 3.46Å; L377-A379 PolarHBondContact O-N 2.71Å; L377-R392 VanDerWaalsContact CD1-NH2 3.31Å; L377-V393 PolarHBondContact N-O 2.88Å; L377-E394 HydrophobicContact CB-CG 4.22Å; L377-E394 CarbonylContact O-C 3.55Å; L377-E394 VanDerWaalsContact O-CA 3.29Å; L377-E394 WeakPolarHBondContact O-CA 3.33Å; L377-G395 PolarHBondContact O-N 2.87Å
378N97.3Very high98.4Very high8 Ų819.9 Ų19.94%0.04310%0.097CC..EExtended strand (participates in β ladder)trans53.151.9179.4-54.1-64.1000112.1R360 E361 G395 I425 T426R360-N378 PolarHBondContact O-N 2.83Å; R360-N378 VanDerWaalsContact O-N 3.08Å; E361-N378 VanDerWaalsContact CB-OD1 3.28Å; E361-N378 WeakPolarHBondContact CB-OD1 3.18Å; E361-N378 CarbonylContact O-C 3.52Å; E361-N378 WeakPolarHBondContact O-CA 3.38Å; E361-N378 PolarHBondContact O-N 2.87Å; N378-G395 WeakPolarHBondContact CB-O 3.39Å; N378-G395 PolarHBondContact ND2-O 2.98Å; N378-G395 VanDerWaalsContact ND2-O 3.08Å; N378-G395 WeakPolarHBondContact O-CA 3.37Å; N378-I425 HydrophobicContact CB-CG2 4.44Å; N378-I425 WeakPolarHBondContact O-CA 3.29Å; N378-I425 VanDerWaalsContact O-CB 3.25Å; N378-I425 WeakPolarHBondContact O-CB 3.32Å; N378-T426 PolarHBondContact O-N 2.76Å; N378-T426 VanDerWaalsContact O-N 3.15Å
379A98.1Very high98.4Very high0 Ų024.1 Ų24.10%012%0.117CC..EExtended strand (participates in β ladder)trans-140.6147.5-170.400000113.2E361 C362 I363 L377 I381 V393 T426E361-A379 PolarHBondContact O-N 2.91Å; C362-A379 CarbonylContact C-O 3.47Å; C362-A379 WeakPolarHBondContact CA-O 3.09Å; C362-A379 WeakPolarHBondContact CB-O 3.15Å; I363-A379 PolarHBondContact N-O 3.16Å; L377-A379 PolarHBondContact O-N 2.71Å; A379-I381 HydrophobicContact CB-CD1 4.03Å; A379-V393 HydrophobicContact CB-CG1 3.99Å; A379-T426 CarbonylContact C-O 3.51Å; A379-T426 WeakPolarHBondContact CA-O 3.44Å
380V97.9Very high98.4Very high0 Ų029 Ų290%013%0.133CC..EExtended strand (participates in β ladder)trans-106.6120.5166.1-179.40000107.7L33 F42 V266 I267 I363 L365 I425 T426 I428L33-V380 HydrophobicContact CD1-CB 4.39Å; L33-V380 HydrophobicContact CD1-CG1 3.91Å; L33-V380 HydrophobicContact CD1-CG2 4.46Å; L33-V380 HydrophobicContact CD2-CG1 3.72Å; L33-V380 HydrophobicContact CG-CG1 4.48Å; F42-V380 HydrophobicContact CE2-CG1 4.49Å; F42-V380 HydrophobicContact CZ-CG1 3.96Å; V266-V380 HydrophobicContact CG2-CG2 3.49Å; V266-V380 VanDerWaalsContact CG2-CG2 3.49Å; I267-V380 HydrophobicContact CD1-CG2 3.83Å; I267-V380 HydrophobicContact CG1-CG2 4.26Å; I363-V380 HydrophobicContact CB-CG1 4.45Å; I363-V380 HydrophobicContact CB-CG2 4.45Å; I363-V380 WeakPolarHBondContact O-CA 3.27Å; L365-V380 HydrophobicContact CD1-CG1 4.4Å; V380-I425 HydrophobicContact CG2-CD1 3.91Å; V380-T426 PolarHBondContact N-O 2.72Å; V380-I428 PolarHBondContact O-N 2.85Å
381I98.4Very high98.4Very high0 Ų029 Ų290%013%0.133CC..EExtended strand (participates in β ladder)trans-101.3111178.3-45.4-57000108.3I363 V364 L365 V368 A379 T385 I387 V393 I428I363-I381 PolarHBondContact O-N 2.8Å; V364-I381 HydrophobicContact CG2-CG1 4.46Å; L365-I381 VanDerWaalsContact CB-O 3.29Å; L365-I381 WeakPolarHBondContact CB-O 3.25Å; L365-I381 VanDerWaalsContact CG-O 3.27Å; L365-I381 WeakPolarHBondContact CG-O 3.24Å; L365-I381 PolarHBondContact N-O 3.38Å; V368-I381 HydrophobicContact CB-CG2 4.47Å; V368-I381 HydrophobicContact CG1-CB 4.32Å; V368-I381 HydrophobicContact CG1-CG2 3.58Å; V368-I381 HydrophobicContact CG2-CB 4.48Å; V368-I381 HydrophobicContact CG2-CG2 3.99Å; A379-I381 HydrophobicContact CB-CD1 4.03Å; I381-T385 HydrophobicContact CG2-CG2 3.66Å; I381-I387 HydrophobicContact CG2-CD1 4.17Å; I381-I387 HydrophobicContact CG2-CG1 4.17Å; I381-V393 HydrophobicContact CD1-CB 4.4Å; I381-V393 HydrophobicContact CD1-CG1 3.89Å; I381-I428 HydrophobicContact CD1-CG1 4Å
382G97.1Very high98.3Very high0 Ų028.8 Ų28.80%013%0.133CC..  trans-68.2162.4-174.400000113.9V368 T385 I428 G429V368-G382 WeakPolarHBondContact CG2-O 3.39Å; G382-T385 WeakPolarHBondContact O-CB 3.08Å; G382-T385 PolarHBondContact O-N 3.01Å; G382-T385 PolarHBondContact O-OG1 2.91Å; G382-I428 WeakPolarHBondContact CA-O 3.23Å; G382-I428 PolarHBondContact N-O 3.09Å; G382-G429 WeakPolarHBondContact CA-O 3.45Å
383W97.6Very high98.3Very high34 Ų3428 Ų2813%0.12913%0.126CC..THydrogen-bonded Turntrans-52.6146.3-176.8-59.2-94.2000114.1E36 L37 F42 L365 R366 T385 S430 N431E36-W383 HydrophobicContact CB-CE3 4.24Å; E36-W383 HydrophobicContact CB-CZ3 4.1Å; E36-W383 HydrophobicContact CG-CE3 4.38Å; L37-W383 HydrophobicContact CB-CH2 3.9Å; L37-W383 HydrophobicContact CB-CZ2 4.06Å; L37-W383 HydrophobicContact CD2-CH2 4.28Å; L37-W383 HydrophobicContact CD2-CZ2 3.72Å; F42-W383 AromaticContact CD2-CH2 3.95Å; F42-W383 HydrophobicContact CD2-CH2 3.95Å; F42-W383 HydrophobicContact CD2-CZ2 4.43Å; F42-W383 HydrophobicContact CE2-CH2 4.06Å; L365-W383 HydrophobicContact CB-CD2 4.24Å; L365-W383 HydrophobicContact CB-CG 4.14Å; L365-W383 HydrophobicContact CD1-CD2 3.64Å; L365-W383 HydrophobicContact CD1-CE3 3.69Å; L365-W383 HydrophobicContact CD1-CG 4.38Å; L365-W383 HydrophobicContact CD1-CH2 3.7Å; L365-W383 HydrophobicContact CD1-CZ2 3.63Å; L365-W383 HydrophobicContact CD1-CZ3 3.72Å; R366-W383 WeakPolarHBondContact O-CA 3.5Å; W383-T385 PolarHBondContact O-N 3.01Å; W383-T385 VanDerWaalsContact O-N 3.09Å; W383-S430 CarbonylContact O-C 3.45Å; W383-S430 WeakPolarHBondContact O-CA 3.39Å; W383-N431 PolarHBondContact O-N 3.45Å
384N98Very high98.3Very high73 Ų7326.4 Ų26.439%0.3912%0.119SC..THydrogen-bonded Turntrans53.828.4176.2-49.3-65.8000113.8R366 D367 N431R366-N384 PolarHBondContact O-N 3.2Å; D367-N384 WeakPolarHBondContact CB-OD1 3.33Å; D367-N384 WeakPolarHBondContact O-CA 3.22Å; N384-N431 VanDerWaalsContact CB-OD1 3.26Å; N384-N431 WeakPolarHBondContact CB-OD1 3.49Å; N384-N431 WeakPolarHBondContact O-CA 3.07Å
385T98.6Very high98.1Very high0 Ų026.5 Ų26.50%012%0.12CC..  trans-93142.1-180-69.20000110V368 E369 I381 G382 W383 I387 I428 G429 V432V368-T385 WeakPolarHBondContact CA-O 3.34Å; E369-T385 PolarHBondContact N-O 2.95Å; I381-T385 HydrophobicContact CG2-CG2 3.66Å; G382-T385 WeakPolarHBondContact O-CB 3.08Å; G382-T385 PolarHBondContact O-N 3.01Å; G382-T385 PolarHBondContact O-OG1 2.91Å; W383-T385 PolarHBondContact O-N 3.01Å; W383-T385 VanDerWaalsContact O-N 3.09Å; T385-I387 HydrophobicContact CG2-CD1 3.76Å; T385-I387 HydrophobicContact CG2-CG1 4.42Å; T385-I428 HydrophobicContact CG2-CG2 3.74Å; T385-G429 PolarHBondContact OG1-O 3.43Å; T385-V432 CarbonylContact C-O 3.6Å; T385-V432 VanDerWaalsContact CA-O 3.23Å; T385-V432 WeakPolarHBondContact CA-O 3.35Å; T385-V432 HydrophobicContact CG2-CB 4.1Å; T385-V432 VanDerWaalsContact CG2-O 3.27Å; T385-V432 WeakPolarHBondContact CG2-O 3.47Å; T385-V432 PolarHBondContact OG1-N 2.81Å
386V98.8Very high97.9Very high25 Ų2528.1 Ų28.115%0.15213%0.129CC..EExtended strand (participates in β ladder)trans-111.1124.5173.7-177.40000109.3E369 V432 E433 I434E369-V386 HydrophobicContact CB-CG1 4.48Å; E369-V386 HydrophobicContact CB-CG2 4.32Å; E369-V386 CarbonylContact O-C 3.59Å; E369-V386 WeakPolarHBondContact O-CA 3.42Å; V386-V432 PolarHBondContact N-O 2.98Å; V386-E433 HydrophobicContact CB-CG 4.43Å; V386-I434 PolarHBondContact O-N 3.22Å
387I98.8Very high97.4Very high0 Ų031.4 Ų31.40%015%0.151CC..EExtended strand (participates in β ladder)trans-103.9115.6171.1-51.8-57.6000108.1E369 I370 R371 A374 I381 T385 A391 V393 I434E369-I387 PolarHBondContact O-N 3.43Å; I370-I387 HydrophobicContact CB-CB 4.45Å; I370-I387 HydrophobicContact CG1-CB 4.34Å; I370-I387 HydrophobicContact CG1-CG1 4.12Å; I370-I387 HydrophobicContact CG2-CB 4.16Å; I370-I387 HydrophobicContact CG2-CG2 4.35Å; R371-I387 VanDerWaalsContact CB-O 3.23Å; R371-I387 WeakPolarHBondContact CB-O 3.49Å; R371-I387 WeakPolarHBondContact CG-O 3.48Å; R371-I387 PolarHBondContact N-O 2.93Å; A374-I387 HydrophobicContact CB-CG2 3.88Å; I381-I387 HydrophobicContact CG2-CD1 4.17Å; I381-I387 HydrophobicContact CG2-CG1 4.17Å; T385-I387 HydrophobicContact CG2-CD1 3.76Å; T385-I387 HydrophobicContact CG2-CG1 4.42Å; I387-A391 HydrophobicContact CG2-CB 3.82Å; I387-V393 HydrophobicContact CD1-CG2 3.97Å; I387-V393 HydrophobicContact CG2-CG2 4.21Å; I387-I434 HydrophobicContact CD1-CB 4.05Å; I387-I434 HydrophobicContact CD1-CD1 3.59Å; I387-I434 HydrophobicContact CD1-CG1 3.97Å
388G98.5Very high96.6Very high0 Ų031.9 Ų31.90%015%0.154CC..  trans-66.3166.4-176.300000114.4A391 I434G388-A391 WeakPolarHBondContact O-CB 3.28Å; G388-A391 PolarHBondContact O-N 3.3Å; G388-I434 VanDerWaalsContact CA-O 3.3Å; G388-I434 WeakPolarHBondContact CA-O 3.25Å; G388-I434 PolarHBondContact N-O 2.94Å
389E98.8Very high96Very high90 Ų9034.3 Ų34.342%0.42117%0.167SC..THydrogen-bonded Turntrans-60138.8-179.2-64.1176.7-156.700111.1R371 A372 A391 P436 E437R371-E389 HydrophobicContact CB-CG 3.77Å; A372-E389 HydrophobicContact CB-CG 4.29Å; A372-E389 CarbonylContact O-C 3.58Å; A372-E389 VanDerWaalsContact O-CA 3.24Å; A372-E389 WeakPolarHBondContact O-CA 3.3Å; E389-A391 PolarHBondContact O-N 2.91Å; E389-P436 HydrophobicContact CB-CB 4.38Å; E389-P436 CarbonylContact O-C 3.45Å; E389-P436 WeakPolarHBondContact O-CA 3.22Å; E389-P436 WeakPolarHBondContact O-CB 3.2Å; E389-E437 PolarHBondContact O-N 3.48Å
390W98.5Very high95.5Very high155 Ų15535.4 Ų35.459%0.58717%0.173SC*.THydrogen-bonded Turntrans58.77.4-178.2-58.994.8000115.7A372 H373 E437A372-W390 PolarHBondContact O-N 2.86Å; H373-W390 HydrophobicContact CB-CD2 3.58Å; H373-W390 HydrophobicContact CB-CE3 3.72Å; H373-W390 HydrophobicContact CB-CG 4.19Å; H373-W390 HydrophobicContact CB-CH2 3.93Å; H373-W390 HydrophobicContact CB-CZ2 3.79Å; H373-W390 HydrophobicContact CB-CZ3 3.9Å; H373-W390 AromaticContact CD2-CE2 3.77Å; H373-W390 AromaticContact CD2-CZ2 3.6Å; H373-W390 AromaticContact CD2-NE1 3.94Å; H373-W390 AromaticContact CG-CE2 3.79Å; H373-W390 AromaticContact CG-CH2 3.87Å; H373-W390 AromaticContact CG-CZ2 3.57Å; W390-E437 HydrophobicContact CB-CG 4.09Å
391A98.6Very high94.8Very high1 Ų138.4 Ų38.41%0.00819%0.189CC..  trans-68.9150.4176.200000111.1A374 C375 I387 G388 E389 I434 V438A374-A391 CarbonylContact C-O 3.57Å; A374-A391 WeakPolarHBondContact CA-O 3.44Å; A374-A391 WeakPolarHBondContact CB-O 3.24Å; C375-A391 PolarHBondContact N-O 3.44Å; I387-A391 HydrophobicContact CG2-CB 3.82Å; G388-A391 WeakPolarHBondContact O-CB 3.28Å; G388-A391 PolarHBondContact O-N 3.3Å; E389-A391 PolarHBondContact O-N 2.91Å; A391-I434 HydrophobicContact CB-CG2 4.01Å; A391-V438 CarbonylContact C-O 3.45Å; A391-V438 VanDerWaalsContact CA-O 3.28Å; A391-V438 WeakPolarHBondContact CA-O 3.32Å; A391-V438 WeakPolarHBondContact CB-O 3.42Å
392R98.6Very high93.9Very high81 Ų8144.1 Ų44.131%0.30623%0.227SC..EExtended strand (participates in β ladder)trans-124.6115.1177.9-173.8178.8178.185.2-3.8110.8C375 L377 E394 V438 I439 V440C375-R392 CarbonylContact O-C 3.54Å; C375-R392 WeakPolarHBondContact O-CA 3.5Å; C375-R392 PolarHBondContact SG-NH1 2.82Å; L377-R392 VanDerWaalsContact CD1-NH2 3.31Å; R392-E394 HydrophobicContact CG-CB 4.47Å; R392-E394 IonicContact CZ-OE2 3.49Å; R392-E394 IonicContact NE-OE2 3.67Å; R392-E394 PolarHBondContact NE-OE2 3.46Å; R392-E394 IonicContact NH2-OE1 2.72Å; R392-E394 PolarHBondContact NH2-OE1 2.79Å; R392-E394 IonicContact NH2-OE2 2.82Å; R392-E394 PolarHBondContact NH2-OE2 2.83Å; R392-V438 PolarHBondContact N-O 3.08Å; R392-I439 HydrophobicContact CB-CG1 4.26Å; R392-I439 HydrophobicContact CB-CG2 4.38Å; R392-I439 CarbonylContact O-C 3.55Å; R392-I439 WeakPolarHBondContact O-CA 3.35Å; R392-V440 PolarHBondContact O-N 3.04Å
393V98.6Very high93.3Very high0 Ų051.3 Ų51.30%027%0.265CS..EExtended strand (participates in β ladder)trans-110.7106175.4-175.30000108.8C375 C376 L377 A379 I381 I387 T426 I428 I434 V440C375-V393 PolarHBondContact O-N 2.71Å; C376-V393 CarbonylContact C-O 3.56Å; C376-V393 WeakPolarHBondContact CA-O 3.38Å; C376-V393 HydrophobicContact CB-CB 4.49Å; L377-V393 PolarHBondContact N-O 2.88Å; A379-V393 HydrophobicContact CB-CG1 3.99Å; I381-V393 HydrophobicContact CD1-CB 4.4Å; I381-V393 HydrophobicContact CD1-CG1 3.89Å; I387-V393 HydrophobicContact CD1-CG2 3.97Å; I387-V393 HydrophobicContact CG2-CG2 4.21Å; V393-T426 HydrophobicContact CG1-CG2 3.46Å; V393-T426 VanDerWaalsContact CG1-CG2 3.46Å; V393-I428 HydrophobicContact CG1-CD1 4.23Å; V393-I428 HydrophobicContact CG1-CG1 4.12Å; V393-I434 HydrophobicContact CG2-CD1 3.74Å; V393-V440 WeakPolarHBondContact CA-O 3.13Å
394E97.8Very high92.4Very high48 Ų4855 Ų5522%0.22428%0.282CS..EExtended strand (participates in β ladder)trans-128.9141.4-172.1178.9168.7-150.900111.7L377 R392 T426 V440 L441 N442L377-E394 HydrophobicContact CB-CG 4.22Å; L377-E394 CarbonylContact O-C 3.55Å; L377-E394 VanDerWaalsContact O-CA 3.29Å; L377-E394 WeakPolarHBondContact O-CA 3.33Å; R392-E394 HydrophobicContact CG-CB 4.47Å; R392-E394 IonicContact CZ-OE2 3.49Å; R392-E394 IonicContact NE-OE2 3.67Å; R392-E394 PolarHBondContact NE-OE2 3.46Å; R392-E394 IonicContact NH2-OE1 2.72Å; R392-E394 PolarHBondContact NH2-OE1 2.79Å; R392-E394 IonicContact NH2-OE2 2.82Å; R392-E394 PolarHBondContact NH2-OE2 2.83Å; E394-T426 PolarHBondContact O-OG1 2.82Å; E394-V440 PolarHBondContact N-O 2.93Å; E394-L441 HydrophobicContact CB-CD1 3.92Å; E394-L441 HydrophobicContact CG-CD1 3.81Å; E394-L441 CarbonylContact O-C 3.52Å; E394-L441 VanDerWaalsContact O-CA 3.26Å; E394-L441 WeakPolarHBondContact O-CA 3.45Å; E394-L441 WeakPolarHBondContact O-CD1 3.47Å; E394-N442 PolarHBondContact O-N 2.88Å
395G95.8Very high91.5Very high3 Ų358.7 Ų58.73%0.03130%0.297CS..  trans-124.7167172.100000112.9L377 N378 S424 N442L377-G395 PolarHBondContact O-N 2.87Å; N378-G395 WeakPolarHBondContact CB-O 3.39Å; N378-G395 PolarHBondContact ND2-O 2.98Å; N378-G395 VanDerWaalsContact ND2-O 3.08Å; N378-G395 WeakPolarHBondContact O-CA 3.37Å; G395-S424 WeakPolarHBondContact CA-O 3.2Å; G395-N442 WeakPolarHBondContact CA-OD1 3.47Å
396T92.9Very high90.7Very high53 Ų5362.5 Ų62.533%0.32531%0.314SS..  trans-89.7126.6174-55.80000109.2P423 S424 I425 N442T396-P423 HydrophobicContact CG2-CB 4.45Å; T396-S424 PolarHBondContact N-O 2.86Å; T396-S424 CarbonylContact O-C 3.49Å; T396-S424 VanDerWaalsContact O-C 3.29Å; T396-I425 PolarHBondContact O-N 3.49Å; T396-N442 PolarHBondContact N-OD1 3Å; T396-N442 VanDerWaalsContact OG1-CG 3.3Å; T396-N442 PolarHBondContact OG1-ND2 3.2Å; T396-N442 PolarHBondContact OG1-OD1 3.07Å
397P88Confident90.1Very high70 Ų7062.1 Ų62.146%0.45531%0.311SS..  trans-55.8142.8173.7-21.430.4000111.3
398N81.6Confident89.7Confident29 Ų2963.6 Ų63.616%0.15532%0.318CS..  trans-118.431.5175.1-168.513.4000111.2F262 L409 E410F262-N398 WeakPolarHBondContact CZ-ND2 3.44Å; N398-L409 WeakPolarHBondContact O-CD1 3.46Å; N398-E410 PolarHBondContact ND2-O 2.87Å
399D86Confident89Confident59 Ų5964.4 Ų64.432%0.31632%0.322SS..  trans-65.5147.7-175.8-69.4-44.8000111.8Y268 R271Y268-D399 WeakPolarHBondContact CD2-OD1 3.31Å; R271-D399 IonicContact CZ-OD1 3.16Å; R271-D399 IonicContact CZ-OD2 3.62Å; R271-D399 IonicContact NH1-OD1 2.86Å; R271-D399 PolarHBondContact NH1-OD1 2.89Å; R271-D399 IonicContact NH1-OD2 3.95Å; R271-D399 PolarHBondContact NH1-OD2 2.96Å; R271-D399 IonicContact NH2-OD1 3.39Å; R271-D399 PolarHBondContact NH2-OD1 2.91Å; R271-D399 IonicContact NH2-OD2 3.04Å; R271-D399 PolarHBondContact NH2-OD2 3.09Å
400P86.1Confident88.1Confident22 Ų2263.9 Ų63.914%0.14332%0.32CS..  trans-54.1142.9172.2-23.233.3000111.7Y268 P402 T407Y268-P400 HydrophobicContact CE1-CG 4.43Å; Y268-P400 HydrophobicContact CE2-CG 3.81Å; P400-P402 VanDerWaalsContact O-CD 3.31Å; P400-P402 WeakPolarHBondContact O-CD 3.39Å; P400-P402 VanDerWaalsContact O-N 3.12Å; P400-T407 HydrophobicContact CB-CG2 3.96Å; P400-T407 VanDerWaalsContact CB-O 3.25Å; P400-T407 WeakPolarHBondContact CB-O 3.03Å
401N83.8Confident87Confident63 Ų6358.2 Ų58.234%0.33730%0.302SS..  trans-62115.7179.5-175.2-27000110.3N403 K404 T407N401-N403 PolarHBondContact O-N 3.36Å; N401-N403 WeakPolarHBondContact OD1-CB 3.36Å; N401-N403 PolarHBondContact OD1-N 3.08Å; N401-K404 HydrophobicContact CB-CB 4.4Å; N401-K404 HydrophobicContact CB-CD 4.45Å; N401-K404 PolarHBondContact O-N 2.91Å; N401-K404 VanDerWaalsContact O-N 3.14Å; N401-T407 HydrophobicContact CB-CG2 4.32Å
402P79.8Confident86Confident120 Ų12062 Ų6278%0.77932%0.322SS*.THydrogen-bonded Turntrans-67.1-20.7-174.727.7-35.5000113.1P400 K404P400-P402 VanDerWaalsContact O-CD 3.31Å; P400-P402 WeakPolarHBondContact O-CD 3.39Å; P400-P402 VanDerWaalsContact O-N 3.12Å; P402-K404 VanDerWaalsContact C-N 3.29Å; P402-K404 PolarHBondContact O-N 2.84Å
403N83.4Confident85.2Confident151 Ų15162.4 Ų62.481%0.80734%0.335SS*.THydrogen-bonded Turntrans-85-2-179.9-60.1-35.4000113.1N401N401-N403 PolarHBondContact O-N 3.36Å; N401-N403 WeakPolarHBondContact OD1-CB 3.36Å; N401-N403 PolarHBondContact OD1-N 3.08Å
404K79.9Confident84.2Confident112 Ų11265.7 Ų65.749%0.48735%0.354SS..SBendtrans-120.6109.6-179.8-72.7-176.2-177.7179.90109.6N401 P402 T407N401-K404 HydrophobicContact CB-CB 4.4Å; N401-K404 HydrophobicContact CB-CD 4.45Å; N401-K404 PolarHBondContact O-N 2.91Å; N401-K404 VanDerWaalsContact O-N 3.14Å; P402-K404 VanDerWaalsContact C-N 3.29Å; P402-K404 PolarHBondContact O-N 2.84Å; K404-T407 WeakPolarHBondContact CB-OG1 3.4Å; K404-T407 WeakPolarHBondContact O-CB 3.23Å; K404-T407 PolarHBondContact O-N 2.79Å; K404-T407 PolarHBondContact O-OG1 2.95Å
405Q77.8Confident83.6Confident150 Ų15068.5 Ų68.570%0.70137%0.366SS*.THydrogen-bonded Turntrans-55.4141.4177.5-162.2172.6-25.600111.1T407Q405-T407 PolarHBondContact O-N 2.83Å; Q405-T407 VanDerWaalsContact O-N 3.1Å
406F83.1Confident83Confident81 Ų8170.6 Ų70.636%0.35538%0.377SS..THydrogen-bonded Turntrans62.211.9179.8-46.1-61000115.9D158 A159 K408D158-F406 HydrophobicContact CB-CB 3.88Å; D158-F406 HydrophobicContact CB-CD1 3.54Å; D158-F406 HydrophobicContact CB-CD2 3.81Å; D158-F406 HydrophobicContact CB-CE1 3.89Å; D158-F406 HydrophobicContact CB-CE2 4.14Å; D158-F406 HydrophobicContact CB-CG 3.47Å; D158-F406 VanDerWaalsContact CB-CG 3.47Å; D158-F406 HydrophobicContact CB-CZ 4.15Å; A159-F406 WeakPolarHBondContact CA-O 3.31Å; F406-K408 PolarHBondContact O-N 2.88Å
407T86Confident82.6Confident17 Ų1775.5 Ų75.510%0.10441%0.406CS..  trans-61.3126.9174.4-55.50000109.7T160 P400 N401 K404 Q405T160-T407 WeakPolarHBondContact CG2-OG1 3.4Å; P400-T407 HydrophobicContact CB-CG2 3.96Å; P400-T407 VanDerWaalsContact CB-O 3.25Å; P400-T407 WeakPolarHBondContact CB-O 3.03Å; N401-T407 HydrophobicContact CB-CG2 4.32Å; K404-T407 WeakPolarHBondContact CB-OG1 3.4Å; K404-T407 WeakPolarHBondContact O-CB 3.23Å; K404-T407 PolarHBondContact O-N 2.79Å; K404-T407 PolarHBondContact O-OG1 2.95Å; Q405-T407 PolarHBondContact O-N 2.83Å; Q405-T407 VanDerWaalsContact O-N 3.1Å
408K89.3Confident82.5Confident30 Ų3080.1 Ų80.113%0.1342%0.419CS..  trans-96.9174.9172-54.6-57.4179.2-175.70109.7T157 D158 A159 Q163 W257 F406 E410T157-K408 PolarHBondContact OG1-NZ 3.08Å; D158-K408 WeakPolarHBondContact O-CE 3.4Å; D158-K408 PolarHBondContact O-NZ 2.88Å; A159-K408 HydrophobicContact CB-CG 4.01Å; Q163-K408 PolarHBondContact NE2-O 3.32Å; W257-K408 HydrophobicContact CE3-CD 4.42Å; W257-K408 HydrophobicContact CZ3-CD 4.46Å; F406-K408 PolarHBondContact O-N 2.88Å; K408-E410 PolarHBondContact O-N 3.04Å
409L85.5Confident82.5Confident18 Ų1881.2 Ų81.29%0.09444%0.438CS..  trans-61127.8178.2-161.977.4000111.5F262 A265 Y268 N398 V411F262-L409 HydrophobicContact CE1-CD2 3.47Å; F262-L409 VanDerWaalsContact CE1-CD2 3.47Å; F262-L409 HydrophobicContact CE1-CG 4.22Å; F262-L409 HydrophobicContact CE2-CD2 4.37Å; F262-L409 HydrophobicContact CZ-CD2 3.31Å; F262-L409 HydrophobicContact CZ-CG 3.88Å; A265-L409 HydrophobicContact CB-CD2 3.45Å; A265-L409 VanDerWaalsContact CB-CD2 3.45Å; Y268-L409 HydrophobicContact CD1-CD1 4.13Å; Y268-L409 HydrophobicContact CD2-CD1 4.4Å; Y268-L409 HydrophobicContact CG-CD1 3.91Å; N398-L409 WeakPolarHBondContact O-CD1 3.46Å; L409-V411 PolarHBondContact O-N 2.81Å
410E78.1Confident82.2Confident79 Ų7984 Ų8437%0.36945%0.448SS..  trans-77.9118.8177.7-73.7-168.1-175.900111.2N398 K408 L412N398-E410 PolarHBondContact ND2-O 2.87Å; K408-E410 PolarHBondContact O-N 3.04Å; E410-L412 PolarHBondContact O-N 2.82Å
411V77Confident82.1Confident35 Ų3583.6 Ų83.621%0.21245%0.445CS..  trans-86.788.4169.2-169.80000108.1F262 L409F262-V411 HydrophobicContact CD1-CG1 4.26Å; F262-V411 HydrophobicContact CD1-CG2 4.08Å; F262-V411 HydrophobicContact CE1-CB 4.39Å; F262-V411 HydrophobicContact CE1-CG1 4.46Å; F262-V411 HydrophobicContact CE1-CG2 3.75Å; L409-V411 PolarHBondContact O-N 2.81Å
412L77.9Confident82.1Confident82 Ų8282.2 Ų82.243%0.42944%0.438SS..  trans-72.1150.1172.2-64.1176.8000110.5E410E410-L412 PolarHBondContact O-N 2.82Å
413P79.8Confident82.3Confident88 Ų8879.5 Ų79.557%0.57142%0.42SS*.  trans-55.8148.2166.1-22.734.1000110.5F415 N422P413-F415 VanDerWaalsContact C-N 3.29Å; P413-F415 WeakPolarHBondContact CB-O 3.27Å; P413-F415 PolarHBondContact O-N 3.32Å; P413-N422 PolarHBondContact O-ND2 2.75Å
414V78.4Confident82.6Confident69 Ų6973.9 Ų73.942%0.41839%0.393SS..SBendtrans-59.8-45.5176.61790000109.9L421 N422 I459V414-L421 HydrophobicContact CG1-CD1 3.44Å; V414-L421 VanDerWaalsContact CG1-CD1 3.44Å; V414-L421 WeakPolarHBondContact O-CA 3.29Å; V414-L421 WeakPolarHBondContact O-CD1 3.3Å; V414-N422 PolarHBondContact O-N 2.82Å; V414-I459 HydrophobicContact CG1-CD1 4.07Å
415F84.8Confident83.2Confident108 Ų10868.9 Ų68.947%0.47437%0.371SS..BIsolated β-bridgetrans-108.7141.1178.1-57.5-76.6000111.4P413 G419 Q420 L421 I459P413-F415 VanDerWaalsContact C-N 3.29Å; P413-F415 WeakPolarHBondContact CB-O 3.27Å; P413-F415 PolarHBondContact O-N 3.32Å; F415-G419 WeakPolarHBondContact CD1-O 3.3Å; F415-Q420 CarbonylContact C-O 3.54Å; F415-Q420 VanDerWaalsContact CA-O 3.27Å; F415-Q420 WeakPolarHBondContact CA-O 3.44Å; F415-L421 HydrophobicContact CE1-CD1 4.44Å; F415-I459 HydrophobicContact CE1-CD1 4.31Å; F415-I459 HydrophobicContact CE2-CD1 4.47Å; F415-I459 HydrophobicContact CZ-CD1 3.69Å
416N84.6Confident84.1Confident46 Ų4661.8 Ų61.825%0.24634%0.338CS..  trans-75.6176.9168.86823.6000111.3K418 G419 Q420 N422N416-K418 PolarHBondContact O-N 2.85Å; N416-K418 VanDerWaalsContact OD1-CA 3.3Å; N416-K418 WeakPolarHBondContact OD1-CA 3.47Å; N416-K418 VanDerWaalsContact OD1-CB 3.3Å; N416-K418 WeakPolarHBondContact OD1-CB 3.16Å; N416-K418 PolarHBondContact OD1-N 3.01Å; N416-G419 PolarHBondContact O-N 2.87Å; N416-G419 PolarHBondContact OD1-N 2.88Å; N416-Q420 PolarHBondContact N-O 2.81Å; N416-Q420 PolarHBondContact OD1-N 2.9Å; N416-Q420 PolarHBondContact OD1-O 2.79Å; N416-N422 WeakPolarHBondContact CB-OD1 3.26Å
417V84.1Confident84.7Confident156 Ų15658 Ų5895%0.94532%0.322SS*.THydrogen-bonded Turntrans-60.8-15.8178.5-63.10000114.1
418K85.2Confident85.2Confident167 Ų16757.2 Ų57.273%0.72632%0.317SS*.THydrogen-bonded Turntrans-92.44.7175-55.8-176.8178.2-178.60112.8N416 Q420N416-K418 PolarHBondContact O-N 2.85Å; N416-K418 VanDerWaalsContact OD1-CA 3.3Å; N416-K418 WeakPolarHBondContact OD1-CA 3.47Å; N416-K418 VanDerWaalsContact OD1-CB 3.3Å; N416-K418 WeakPolarHBondContact OD1-CB 3.16Å; N416-K418 PolarHBondContact OD1-N 3.01Å; K418-Q420 HydrophobicContact CB-CG 4.31Å; K418-Q420 PolarHBondContact O-N 2.84Å
419G81Confident85.5Confident53 Ų5355.9 Ų55.955%0.54631%0.311SS..SBendtrans73.88.9-176.400000114.5F415 N416F415-G419 WeakPolarHBondContact CD1-O 3.3Å; N416-G419 PolarHBondContact O-N 2.87Å; N416-G419 PolarHBondContact OD1-N 2.88Å
420Q80.8Confident86.1Confident116 Ų11655.1 Ų55.154%0.54231%0.307SS..PPolyproline II helixtrans-90146.7178.7-58.9170.7-23.600110.1F415 N416 K418 N422F415-Q420 CarbonylContact C-O 3.54Å; F415-Q420 VanDerWaalsContact CA-O 3.27Å; F415-Q420 WeakPolarHBondContact CA-O 3.44Å; N416-Q420 PolarHBondContact N-O 2.81Å; N416-Q420 PolarHBondContact OD1-N 2.9Å; N416-Q420 PolarHBondContact OD1-O 2.79Å; K418-Q420 HydrophobicContact CB-CG 4.31Å; K418-Q420 PolarHBondContact O-N 2.84Å; Q420-N422 PolarHBondContact O-N 2.89Å
421L82.9Confident87Confident14 Ų1453.9 Ų53.97%0.07330%0.303CS..BIsolated β-bridgetrans-60.9126.3175.8-170.670.5000109.5V414 F415 N442 N457 I459V414-L421 HydrophobicContact CG1-CD1 3.44Å; V414-L421 VanDerWaalsContact CG1-CD1 3.44Å; V414-L421 WeakPolarHBondContact O-CA 3.29Å; V414-L421 WeakPolarHBondContact O-CD1 3.3Å; F415-L421 HydrophobicContact CE1-CD1 4.44Å; L421-N442 VanDerWaalsContact CD2-O 3.28Å; L421-N442 WeakPolarHBondContact CD2-O 3.45Å; L421-N457 WeakPolarHBondContact CB-O 3.42Å; L421-I459 HydrophobicContact CD1-CD1 4.16Å; L421-I459 HydrophobicContact CD1-CG1 3.95Å; L421-I459 HydrophobicContact CD2-CG1 4.33Å
422N84.6Confident88Confident35 Ų3552.2 Ų52.219%0.18729%0.293CS..PPolyproline II helixtrans-65129.5171.5-85.1-45.9000109P413 V414 N416 Q420 S424P413-N422 PolarHBondContact O-ND2 2.75Å; V414-N422 PolarHBondContact O-N 2.82Å; N416-N422 WeakPolarHBondContact CB-OD1 3.26Å; Q420-N422 PolarHBondContact O-N 2.89Å; N422-S424 PolarHBondContact O-N 2.94Å
423P83.9Confident89Confident62 Ų6253.4 Ų53.440%0.40330%0.297SS..PPolyproline II helixtrans-52129.2175.3-28.836.5000111.4T396T396-P423 HydrophobicContact CG2-CB 4.45Å
424S88.7Confident89.9Confident33 Ų3349.3 Ų49.323%0.23127%0.27CS..  trans-150.9-171177.1-158.20000109G395 T396 N422 N442G395-S424 WeakPolarHBondContact CA-O 3.2Å; T396-S424 PolarHBondContact N-O 2.86Å; T396-S424 CarbonylContact O-C 3.49Å; T396-S424 VanDerWaalsContact O-C 3.29Å; N422-S424 PolarHBondContact O-N 2.94Å; S424-N442 PolarHBondContact O-OD1 2.61Å
425I93.3Very high90.8Very high8 Ų847.9 Ų47.94%0.04126%0.262CS..  trans-54.8154171.366.6153.2000110.6A263 G264 I267 N378 V380 T396 V427A263-I425 HydrophobicContact CB-CD1 4.41Å; G264-I425 VanDerWaalsContact CA-CD1 3.46Å; I267-I425 HydrophobicContact CG1-CD1 4Å; I267-I425 HydrophobicContact CG1-CG2 4.13Å; N378-I425 HydrophobicContact CB-CG2 4.44Å; N378-I425 WeakPolarHBondContact O-CA 3.29Å; N378-I425 VanDerWaalsContact O-CB 3.25Å; N378-I425 WeakPolarHBondContact O-CB 3.32Å; V380-I425 HydrophobicContact CG2-CD1 3.91Å; T396-I425 PolarHBondContact O-N 3.49Å; I425-V427 HydrophobicContact CD1-CG2 3.66Å; I425-V427 HydrophobicContact CG1-CG2 3.86Å
426T96.5Very high91.5Very high0 Ų046 Ų460%026%0.261CS..EExtended strand (participates in β ladder)trans-85.4131.6169-72.90000109.8N378 A379 V380 V393 E394 I428 V440 N442 C443N378-T426 PolarHBondContact O-N 2.76Å; N378-T426 VanDerWaalsContact O-N 3.15Å; A379-T426 CarbonylContact C-O 3.51Å; A379-T426 WeakPolarHBondContact CA-O 3.44Å; V380-T426 PolarHBondContact N-O 2.72Å; V393-T426 HydrophobicContact CG1-CG2 3.46Å; V393-T426 VanDerWaalsContact CG1-CG2 3.46Å; E394-T426 PolarHBondContact O-OG1 2.82Å; T426-I428 HydrophobicContact CG2-CD1 3.61Å; T426-I428 HydrophobicContact CG2-CG1 4.19Å; T426-V440 HydrophobicContact CG2-CG1 3.91Å; T426-N442 WeakPolarHBondContact OG1-CA 3.46Å; T426-N442 PolarHBondContact OG1-N 3.29Å; T426-C443 CarbonylContact C-O 3.5Å; T426-C443 WeakPolarHBondContact CA-O 3.34Å; T426-C443 PolarHBondContact OG1-N 2.83Å
427V95.7Very high92.1Very high3 Ų351.1 Ų51.12%0.01828%0.283CS..EExtended strand (participates in β ladder)trans-121.1112.7-179.7-175.20000107.9P32 L33 A263 I425 C443 I444 V445P32-V427 HydrophobicContact CG-CG1 4.16Å; L33-V427 HydrophobicContact CD1-CG1 3.99Å; L33-V427 HydrophobicContact CD2-CG1 3.77Å; L33-V427 HydrophobicContact CG-CG1 3.74Å; A263-V427 HydrophobicContact CB-CG1 4.25Å; A263-V427 HydrophobicContact CB-CG2 3.57Å; I425-V427 HydrophobicContact CD1-CG2 3.66Å; I425-V427 HydrophobicContact CG1-CG2 3.86Å; V427-C443 PolarHBondContact N-O 2.92Å; V427-I444 HydrophobicContact CB-CG1 4.46Å; V427-I444 CarbonylContact O-C 3.57Å; V427-I444 WeakPolarHBondContact O-CA 3.39Å; V427-V445 PolarHBondContact O-N 2.9Å
428I97.3Very high92.7Very high0 Ų044.1 Ų44.10%024%0.241CC..EExtended strand (participates in β ladder)trans-97.7127.5174.6-49.7-56.7000108.3V380 I381 G382 T385 V393 T426 V432 I434 V440 V445V380-I428 PolarHBondContact O-N 2.85Å; I381-I428 HydrophobicContact CD1-CG1 4Å; G382-I428 WeakPolarHBondContact CA-O 3.23Å; G382-I428 PolarHBondContact N-O 3.09Å; T385-I428 HydrophobicContact CG2-CG2 3.74Å; V393-I428 HydrophobicContact CG1-CD1 4.23Å; V393-I428 HydrophobicContact CG1-CG1 4.12Å; T426-I428 HydrophobicContact CG2-CD1 3.61Å; T426-I428 HydrophobicContact CG2-CG1 4.19Å; I428-V432 HydrophobicContact CG2-CB 3.51Å; I428-V432 HydrophobicContact CG2-CG1 3.64Å; I428-V432 HydrophobicContact CG2-CG2 3.75Å; I428-I434 HydrophobicContact CD1-CD1 3.86Å; I428-I434 HydrophobicContact CG1-CD1 4.24Å; I428-V440 HydrophobicContact CD1-CG1 4.23Å; I428-V445 HydrophobicContact CD1-CB 4.01Å; I428-V445 HydrophobicContact CD1-CG2 3.53Å
429G95.7Very high93.3Very high1 Ų140.1 Ų40.11%0.0123%0.227CC..  trans-67.7-174.8174.300000112.6G382 T385 V445G382-G429 WeakPolarHBondContact CA-O 3.45Å; T385-G429 PolarHBondContact OG1-O 3.43Å; G429-V445 WeakPolarHBondContact CA-O 3.37Å; G429-V445 PolarHBondContact N-O 3.06Å
430S96.8Very high94.2Very high2 Ų237.6 Ų37.61%0.01420%0.201CC..SBendtrans-78.6152175.846.70000112.1E36 W383 V432 P447 H448E36-S430 VanDerWaalsContact CD-OG 3.25Å; E36-S430 WeakPolarHBondContact CG-OG 3.42Å; E36-S430 WeakPolarHBondContact OE1-CB 3.44Å; E36-S430 PolarHBondContact OE1-OG 3.03Å; W383-S430 CarbonylContact O-C 3.45Å; W383-S430 WeakPolarHBondContact O-CA 3.39Å; S430-V432 VanDerWaalsContact C-N 3.28Å; S430-V432 PolarHBondContact O-N 3.01Å; S430-P447 CarbonylContact O-C 3.56Å; S430-P447 WeakPolarHBondContact O-CA 3.42Å; S430-P447 WeakPolarHBondContact O-CB 3.32Å; S430-P447 WeakPolarHBondContact OG-CB 2.84Å; S430-H448 PolarHBondContact O-N 3.39Å
431N98Very high94.9Very high53 Ų5333.6 Ų33.628%0.28318%0.183SC..SBendtrans5544.7175.6-47.7-73.8000111.8W383 N384 H448 K449W383-N431 PolarHBondContact O-N 3.45Å; N384-N431 VanDerWaalsContact CB-OD1 3.26Å; N384-N431 WeakPolarHBondContact CB-OD1 3.49Å; N384-N431 WeakPolarHBondContact O-CA 3.07Å; N431-H448 WeakPolarHBondContact CB-ND1 3.2Å; N431-H448 PolarHBondContact ND2-CE1 2.77Å; N431-H448 VanDerWaalsContact O-CA 3.24Å; N431-H448 WeakPolarHBondContact O-CA 3.24Å; N431-H448 PolarHBondContact O-N 3Å; N431-K449 PolarHBondContact O-N 2.66Å
432V98.4Very high95.5Very high0 Ų033.3 Ų33.30%018%0.181CC..EExtended strand (participates in β ladder)trans-101.3139.6175.8175.90000109.3T385 V386 I428 S430 I434 V445 L446 K449 L451T385-V432 CarbonylContact C-O 3.6Å; T385-V432 VanDerWaalsContact CA-O 3.23Å; T385-V432 WeakPolarHBondContact CA-O 3.35Å; T385-V432 HydrophobicContact CG2-CB 4.1Å; T385-V432 VanDerWaalsContact CG2-O 3.27Å; T385-V432 WeakPolarHBondContact CG2-O 3.47Å; T385-V432 PolarHBondContact OG1-N 2.81Å; V386-V432 PolarHBondContact N-O 2.98Å; I428-V432 HydrophobicContact CG2-CB 3.51Å; I428-V432 HydrophobicContact CG2-CG1 3.64Å; I428-V432 HydrophobicContact CG2-CG2 3.75Å; S430-V432 VanDerWaalsContact C-N 3.28Å; S430-V432 PolarHBondContact O-N 3.01Å; V432-I434 HydrophobicContact CG1-CG1 4.11Å; V432-V445 HydrophobicContact CG1-CG1 3.83Å; V432-V445 HydrophobicContact CG2-CG1 3.94Å; V432-L446 WeakPolarHBondContact CG2-O 3.28Å; V432-K449 CarbonylContact C-O 3.45Å; V432-K449 VanDerWaalsContact CA-O 3.23Å; V432-K449 WeakPolarHBondContact CA-O 3.19Å; V432-K449 HydrophobicContact CG1-CB 4.49Å; V432-K449 WeakPolarHBondContact CG1-O 3.15Å; V432-K449 HydrophobicContact CG2-CB 4.38Å; V432-L451 HydrophobicContact CG1-CD1 4.04Å
433E98.5Very high96Very high107 Ų10731.6 Ų31.650%0.517%0.172SC..EExtended strand (participates in β ladder)trans-112.7119.3170.8-67-171.1-168.700109.4V386 K449 E450 L451V386-E433 HydrophobicContact CB-CG 4.43Å; E433-K449 PolarHBondContact N-O 3.01Å; E433-E450 HydrophobicContact CB-CG 4.18Å; E433-L451 PolarHBondContact O-N 3.26Å
434I98.4Very high96.4Very high3 Ų330.5 Ų30.52%0.01516%0.163CC..EExtended strand (participates in β ladder)trans-103.6115.3171.5-62.8-173.3000106.8V386 I387 G388 A391 V393 I428 V432 V438 V440 L451V386-I434 PolarHBondContact O-N 3.22Å; I387-I434 HydrophobicContact CD1-CB 4.05Å; I387-I434 HydrophobicContact CD1-CD1 3.59Å; I387-I434 HydrophobicContact CD1-CG1 3.97Å; G388-I434 VanDerWaalsContact CA-O 3.3Å; G388-I434 WeakPolarHBondContact CA-O 3.25Å; G388-I434 PolarHBondContact N-O 2.94Å; A391-I434 HydrophobicContact CB-CG2 4.01Å; V393-I434 HydrophobicContact CG2-CD1 3.74Å; I428-I434 HydrophobicContact CD1-CD1 3.86Å; I428-I434 HydrophobicContact CG1-CD1 4.24Å; V432-I434 HydrophobicContact CG1-CG1 4.11Å; I434-V438 HydrophobicContact CG2-CB 3.95Å; I434-V438 HydrophobicContact CG2-CG1 3.94Å; I434-V440 HydrophobicContact CD1-CG2 3.81Å; I434-V440 HydrophobicContact CG2-CG2 4.29Å; I434-L451 HydrophobicContact CG1-CD2 4.31Å
435P97.8Very high96.8Very high38 Ų3829 Ų2925%0.24715%0.152CC..  trans-64.2167.6-179.3-19.927.7000113.5V438 L451P435-V438 HydrophobicContact CB-CG2 3.87Å; P435-V438 HydrophobicContact CG-CG2 4.05Å; P435-V438 WeakPolarHBondContact O-CB 3.45Å; P435-L451 WeakPolarHBondContact CD-O 3.42Å; P435-L451 WeakPolarHBondContact CG-O 3.24Å
436P98.3Very high96.9Very high70 Ų7030.6 Ų30.646%0.45516%0.16SC..THydrogen-bonded Turntrans-55147.4170.2-24.435.1000112.9E389 V438E389-P436 HydrophobicContact CB-CB 4.38Å; E389-P436 CarbonylContact O-C 3.45Å; E389-P436 WeakPolarHBondContact O-CA 3.22Å; E389-P436 WeakPolarHBondContact O-CB 3.2Å; P436-V438 PolarHBondContact O-N 2.93Å
437E97.6Very high96.9Very high152 Ų15231.6 Ų31.671%0.7117%0.167SC*.THydrogen-bonded Turntrans61.611.1175-54.8178.9-178.100115.5E389 W390E389-E437 PolarHBondContact O-N 3.48Å; W390-E437 HydrophobicContact CB-CG 4.09Å
438V97.9Very high97Very high10 Ų1037.7 Ų37.76%0.06120%0.195CC..  trans-85.3138.6178.5171.50000111.5A391 R392 I434 P435 P436 V440 L451A391-V438 CarbonylContact C-O 3.45Å; A391-V438 VanDerWaalsContact CA-O 3.28Å; A391-V438 WeakPolarHBondContact CA-O 3.32Å; A391-V438 WeakPolarHBondContact CB-O 3.42Å; R392-V438 PolarHBondContact N-O 3.08Å; I434-V438 HydrophobicContact CG2-CB 3.95Å; I434-V438 HydrophobicContact CG2-CG1 3.94Å; P435-V438 HydrophobicContact CB-CG2 3.87Å; P435-V438 HydrophobicContact CG-CG2 4.05Å; P435-V438 WeakPolarHBondContact O-CB 3.45Å; P436-V438 PolarHBondContact O-N 2.93Å; V438-V440 HydrophobicContact CG1-CG2 4.05Å; V438-L451 HydrophobicContact CG1-CD2 4.44Å
439I97.9Very high96.9Very high82 Ų8240.6 Ų40.642%0.42121%0.208SC..EExtended strand (participates in β ladder)trans-108.7122.5175.8-54.5179000109.9R392 S454 A455R392-I439 HydrophobicContact CB-CG1 4.26Å; R392-I439 HydrophobicContact CB-CG2 4.38Å; R392-I439 CarbonylContact O-C 3.55Å; R392-I439 WeakPolarHBondContact O-CA 3.35Å; I439-S454 PolarHBondContact N-OG 2.96Å; I439-S454 CarbonylContact O-C 3.59Å; I439-S454 WeakPolarHBondContact O-CA 3.33Å; I439-S454 VanDerWaalsContact O-CB 3.23Å; I439-S454 WeakPolarHBondContact O-CB 3.36Å; I439-A455 PolarHBondContact O-N 2.86Å
440V98.1Very high97Very high0 Ų047.8 Ų47.80%024%0.241CC..EExtended strand (participates in β ladder)trans-117.2112.1175.1-174.40000108.9R392 V393 E394 T426 I428 I434 V438 C443 V445 L451 A455R392-V440 PolarHBondContact O-N 3.04Å; V393-V440 WeakPolarHBondContact CA-O 3.13Å; E394-V440 PolarHBondContact N-O 2.93Å; T426-V440 HydrophobicContact CG2-CG1 3.91Å; I428-V440 HydrophobicContact CD1-CG1 4.23Å; I434-V440 HydrophobicContact CD1-CG2 3.81Å; I434-V440 HydrophobicContact CG2-CG2 4.29Å; V438-V440 HydrophobicContact CG1-CG2 4.05Å; V440-C443 HydrophobicContact CG1-CB 3.61Å; V440-V445 HydrophobicContact CG1-CG2 4.39Å; V440-L451 HydrophobicContact CG2-CD2 3.42Å; V440-L451 VanDerWaalsContact CG2-CD2 3.42Å; V440-A455 WeakPolarHBondContact CA-O 3.33Å
441L96.8Very high97Very high33 Ų3348.1 Ų48.117%0.17324%0.242CC..EExtended strand (participates in β ladder)trans-123.4119.3-173.4178.961.4000112.5E394 C443 A455 R456 N457E394-L441 HydrophobicContact CB-CD1 3.92Å; E394-L441 HydrophobicContact CG-CD1 3.81Å; E394-L441 CarbonylContact O-C 3.52Å; E394-L441 VanDerWaalsContact O-CA 3.26Å; E394-L441 WeakPolarHBondContact O-CA 3.45Å; E394-L441 WeakPolarHBondContact O-CD1 3.47Å; L441-C443 VanDerWaalsContact C-N 3.31Å; L441-C443 PolarHBondContact O-N 3.39Å; L441-C443 PolarHBondContact O-SG 2.93Å; L441-C443 VanDerWaalsContact O-SG 3.37Å; L441-A455 PolarHBondContact N-O 2.97Å; L441-R456 HydrophobicContact CB-CB 4.39Å; L441-R456 HydrophobicContact CB-CG 4.09Å; L441-R456 HydrophobicContact CD2-CG 4.01Å; L441-R456 HydrophobicContact CG-CG 4.14Å; L441-R456 CarbonylContact O-C 3.56Å; L441-R456 VanDerWaalsContact O-CA 3.24Å; L441-R456 WeakPolarHBondContact O-CA 3.23Å; L441-N457 PolarHBondContact O-N 3.22Å
442N94.6Very high96.6Very high7 Ų750.8 Ų50.84%0.03727%0.265CS..SBendtrans52.145.1-179.3-50-40.8000113.1E394 G395 T396 L421 S424 T426 N457E394-N442 PolarHBondContact O-N 2.88Å; G395-N442 WeakPolarHBondContact CA-OD1 3.47Å; T396-N442 PolarHBondContact N-OD1 3Å; T396-N442 VanDerWaalsContact OG1-CG 3.3Å; T396-N442 PolarHBondContact OG1-ND2 3.2Å; T396-N442 PolarHBondContact OG1-OD1 3.07Å; L421-N442 VanDerWaalsContact CD2-O 3.28Å; L421-N442 WeakPolarHBondContact CD2-O 3.45Å; S424-N442 PolarHBondContact O-OD1 2.61Å; T426-N442 WeakPolarHBondContact OG1-CA 3.46Å; T426-N442 PolarHBondContact OG1-N 3.29Å; N442-N457 WeakPolarHBondContact CB-OD1 3.34Å; N442-N457 PolarHBondContact ND2-OD1 3.02Å; N442-N457 WeakPolarHBondContact O-CA 3.41Å
443C94.9Very high96.4Very high0 Ų057.6 Ų57.60%030%0.297CS..  trans-108.6153.7-177.5-66.90000111.9T426 V427 V440 L441 V445 A455 Q458T426-C443 CarbonylContact C-O 3.5Å; T426-C443 WeakPolarHBondContact CA-O 3.34Å; T426-C443 PolarHBondContact OG1-N 2.83Å; V427-C443 PolarHBondContact N-O 2.92Å; V440-C443 HydrophobicContact CG1-CB 3.61Å; L441-C443 VanDerWaalsContact C-N 3.31Å; L441-C443 PolarHBondContact O-N 3.39Å; L441-C443 PolarHBondContact O-SG 2.93Å; L441-C443 VanDerWaalsContact O-SG 3.37Å; C443-V445 HydrophobicContact CB-CG2 4.34Å; C443-A455 PolarHBondContact SG-O 2.83Å; C443-Q458 VanDerWaalsContact CA-O 3.22Å; C443-Q458 WeakPolarHBondContact CA-O 3.39Å; C443-Q458 WeakPolarHBondContact CB-O 3.08Å
444I94.1Very high96.4Very high39 Ų3955.6 Ų55.620%0.230%0.295CS..EExtended strand (participates in β ladder)trans-110.8111.1163.2-59.4175000106.5P32 V427 Q458 I459 I460P32-I444 VanDerWaalsContact CD-CG2 3.48Å; P32-I444 HydrophobicContact CG-CG2 4.18Å; V427-I444 HydrophobicContact CB-CG1 4.46Å; V427-I444 CarbonylContact O-C 3.57Å; V427-I444 WeakPolarHBondContact O-CA 3.39Å; I444-Q458 PolarHBondContact N-O 3Å; I444-I459 HydrophobicContact CB-CG1 4.35Å; I444-I459 HydrophobicContact CB-CG2 4.36Å; I444-I459 CarbonylContact O-C 3.5Å; I444-I459 VanDerWaalsContact O-CA 3.28Å; I444-I459 WeakPolarHBondContact O-CA 3.38Å; I444-I460 PolarHBondContact O-N 2.96Å
445V95.8Very high96.2Very high0 Ų056 Ų560%030%0.299CS..EExtended strand (participates in β ladder)trans-99.9121.6178.8-173.10000108.4V427 I428 G429 V432 V440 C443 K449 L451 I460V427-V445 PolarHBondContact O-N 2.9Å; I428-V445 HydrophobicContact CD1-CB 4.01Å; I428-V445 HydrophobicContact CD1-CG2 3.53Å; G429-V445 WeakPolarHBondContact CA-O 3.37Å; G429-V445 PolarHBondContact N-O 3.06Å; V432-V445 HydrophobicContact CG1-CG1 3.83Å; V432-V445 HydrophobicContact CG2-CG1 3.94Å; V440-V445 HydrophobicContact CG1-CG2 4.39Å; C443-V445 HydrophobicContact CB-CG2 4.34Å; V445-K449 HydrophobicContact CG1-CB 3.95Å; V445-K449 HydrophobicContact CG1-CG 4.13Å; V445-L451 HydrophobicContact CG1-CD1 3.78Å; V445-I460 HydrophobicContact CB-CB 4.48Å; V445-I460 HydrophobicContact CG1-CB 4.2Å; V445-I460 HydrophobicContact CG1-CG2 4.41Å; V445-I460 HydrophobicContact CG2-CB 4.32Å; V445-I460 HydrophobicContact CG2-CD1 3.9Å; V445-I460 HydrophobicContact CG2-CG1 4.29Å
446L95.7Very high96Very high43 Ų4361.7 Ų61.723%0.22532%0.315CS..PPolyproline II helixtrans-70.1163176.5-67-163.3000111.5P32 V432 K449 I460 L461P32-L446 HydrophobicContact CB-CD2 3.94Å; P32-L446 HydrophobicContact CG-CD2 4.31Å; V432-L446 WeakPolarHBondContact CG2-O 3.28Å; L446-K449 WeakPolarHBondContact O-CG 3.28Å; L446-I460 WeakPolarHBondContact CB-O 3.03Å; L446-I460 WeakPolarHBondContact CG-O 3.35Å; L446-I460 PolarHBondContact N-O 3.34Å; L446-L461 HydrophobicContact CD1-CB 4.4Å; L446-L461 HydrophobicContact CD1-CD2 3.55Å; L446-L461 HydrophobicContact CG-CD2 4.19Å
447P97.2Very high95.7Very high21 Ų2160.7 Ų60.714%0.13631%0.306CS..SBendtrans-59.8157.1177.4-28.138.6000114.2P32 L35 S430 K449P32-P447 HydrophobicContact CB-CG 4.21Å; L35-P447 HydrophobicContact CD1-CG 4.21Å; S430-P447 CarbonylContact O-C 3.56Å; S430-P447 WeakPolarHBondContact O-CA 3.42Å; S430-P447 WeakPolarHBondContact O-CB 3.32Å; S430-P447 WeakPolarHBondContact OG-CB 2.84Å; P447-K449 WeakPolarHBondContact O-CE 3.3Å
448H96.6Very high95.4Very high130 Ų13058.7 Ų58.760%0.60230%0.297SS*.SBendtrans58.753.2174.9-51.3-75.6000112.9S430 N431S430-H448 PolarHBondContact O-N 3.39Å; N431-H448 WeakPolarHBondContact CB-ND1 3.2Å; N431-H448 PolarHBondContact ND2-CE1 2.77Å; N431-H448 VanDerWaalsContact O-CA 3.24Å; N431-H448 WeakPolarHBondContact O-CA 3.24Å; N431-H448 PolarHBondContact O-N 3Å
449K96.6Very high95Very high62 Ų6260.8 Ų60.827%0.2731%0.307SS..EExtended strand (participates in β ladder)trans-124.2137.3179.9-59.8-65.7151.3174.70110.7N431 V432 E433 V445 L446 P447 L451 L461N431-K449 PolarHBondContact O-N 2.66Å; V432-K449 CarbonylContact C-O 3.45Å; V432-K449 VanDerWaalsContact CA-O 3.23Å; V432-K449 WeakPolarHBondContact CA-O 3.19Å; V432-K449 HydrophobicContact CG1-CB 4.49Å; V432-K449 WeakPolarHBondContact CG1-O 3.15Å; V432-K449 HydrophobicContact CG2-CB 4.38Å; E433-K449 PolarHBondContact N-O 3.01Å; V445-K449 HydrophobicContact CG1-CB 3.95Å; V445-K449 HydrophobicContact CG1-CG 4.13Å; L446-K449 WeakPolarHBondContact O-CG 3.28Å; P447-K449 WeakPolarHBondContact O-CE 3.3Å; K449-L451 HydrophobicContact CB-CD1 4.36Å; K449-L461 WeakPolarHBondContact CD-O 3.4Å; K449-L461 WeakPolarHBondContact CE-O 3.26Å; K449-L461 WeakPolarHBondContact CE-OXT 2.84Å; K449-L461 PolarHBondContact NZ-O 3.36Å; K449-L461 PolarHBondContact NZ-OXT 2.91Å
450E96.3Very high94.8Very high151 Ų15158.6 Ų58.671%0.70630%0.296SS*.EExtended strand (participates in β ladder)trans-108.8117.4164.6-171.6-179.2168.600106.7E433E433-E450 HydrophobicContact CB-CG 4.18Å
451L96.7Very high94.3Very high9 Ų965.5 Ų65.55%0.04733%0.332CS..  trans-75.8138.6177.1-88.466.1000108.6V432 E433 I434 P435 V438 V440 V445 K449 I460V432-L451 HydrophobicContact CG1-CD1 4.04Å; E433-L451 PolarHBondContact O-N 3.26Å; I434-L451 HydrophobicContact CG1-CD2 4.31Å; P435-L451 WeakPolarHBondContact CD-O 3.42Å; P435-L451 WeakPolarHBondContact CG-O 3.24Å; V438-L451 HydrophobicContact CG1-CD2 4.44Å; V440-L451 HydrophobicContact CG2-CD2 3.42Å; V440-L451 VanDerWaalsContact CG2-CD2 3.42Å; V445-L451 HydrophobicContact CG1-CD1 3.78Å; K449-L451 HydrophobicContact CB-CD1 4.36Å; L451-I460 HydrophobicContact CD1-CD1 4.19Å; L451-I460 HydrophobicContact CD2-CD1 3.84Å; L451-I460 HydrophobicContact CG-CD1 3.95Å
452S91Very high94.1Very high110 Ų11067.2 Ų67.277%0.76934%0.34SS*.  trans-101.6-17.617456.60000113.2
453Q94.2Very high94.1Very high143 Ų14370.3 Ų70.367%0.66836%0.356SS*.SBendtrans-154.4162.6-174.361.6-176.8-9.700111.3
454S97.4Very high94.1Very high65 Ų6574.2 Ų74.246%0.45538%0.376SS..  trans-57.1141.2171.9-63.70000111.9I439I439-S454 PolarHBondContact N-OG 2.96Å; I439-S454 CarbonylContact O-C 3.59Å; I439-S454 WeakPolarHBondContact O-CA 3.33Å; I439-S454 VanDerWaalsContact O-CB 3.23Å; I439-S454 WeakPolarHBondContact O-CB 3.36Å
455A94.8Very high94.1Very high11 Ų1176.3 Ų76.39%0.09139%0.386CS..EExtended strand (participates in β ladder)trans-133.4142.4-176.700000110.9I439 V440 L441 C443 I460I439-A455 PolarHBondContact O-N 2.86Å; V440-A455 WeakPolarHBondContact CA-O 3.33Å; L441-A455 PolarHBondContact N-O 2.97Å; C443-A455 PolarHBondContact SG-O 2.83Å; A455-I460 HydrophobicContact CB-CD1 3.66Å; A455-I460 HydrophobicContact CB-CG1 4.49Å
456R94.3Very high94Very high158 Ų15881.1 Ų81.160%0.59641%0.41SS*.EExtended strand (participates in β ladder)trans-139.5131.5179.6-176.8179.5-177.7-178.72.3112.1L441 Q458L441-R456 HydrophobicContact CB-CB 4.39Å; L441-R456 HydrophobicContact CB-CG 4.09Å; L441-R456 HydrophobicContact CD2-CG 4.01Å; L441-R456 HydrophobicContact CG-CG 4.14Å; L441-R456 CarbonylContact O-C 3.56Å; L441-R456 VanDerWaalsContact O-CA 3.24Å; L441-R456 WeakPolarHBondContact O-CA 3.23Å; R456-Q458 VanDerWaalsContact C-N 3.33Å; R456-Q458 WeakPolarHBondContact O-CG 3.39Å; R456-Q458 PolarHBondContact O-N 2.84Å
457N91.4Very high93.8Very high49 Ų4983.6 Ų83.626%0.26242%0.422SS..SBendtrans5444.5175.2-53.9-37.8000112.9L421 L441 N442L421-N457 WeakPolarHBondContact CB-O 3.42Å; L441-N457 PolarHBondContact O-N 3.22Å; N442-N457 WeakPolarHBondContact CB-OD1 3.34Å; N442-N457 PolarHBondContact ND2-OD1 3.02Å; N442-N457 WeakPolarHBondContact O-CA 3.41Å
458Q90.6Very high93.6Very high109 Ų10988.1 Ų88.151%0.50944%0.443SS..  trans-133.4153.7-175.9-72.8172.735.900111.9C443 I444 R456C443-Q458 VanDerWaalsContact CA-O 3.22Å; C443-Q458 WeakPolarHBondContact CA-O 3.39Å; C443-Q458 WeakPolarHBondContact CB-O 3.08Å; I444-Q458 PolarHBondContact N-O 3Å; R456-Q458 VanDerWaalsContact C-N 3.33Å; R456-Q458 WeakPolarHBondContact O-CG 3.39Å; R456-Q458 PolarHBondContact O-N 2.84Å
459I90.8Very high93.4Very high54 Ų5484.8 Ų84.828%0.27743%0.431SS..EExtended strand (participates in β ladder)trans-95.1115.1162.9-53.5-176000106.4V414 F415 L421 I444 L461V414-I459 HydrophobicContact CG1-CD1 4.07Å; F415-I459 HydrophobicContact CE1-CD1 4.31Å; F415-I459 HydrophobicContact CE2-CD1 4.47Å; F415-I459 HydrophobicContact CZ-CD1 3.69Å; L421-I459 HydrophobicContact CD1-CD1 4.16Å; L421-I459 HydrophobicContact CD1-CG1 3.95Å; L421-I459 HydrophobicContact CD2-CG1 4.33Å; I444-I459 HydrophobicContact CB-CG1 4.35Å; I444-I459 HydrophobicContact CB-CG2 4.36Å; I444-I459 CarbonylContact O-C 3.5Å; I444-I459 VanDerWaalsContact O-CA 3.28Å; I444-I459 WeakPolarHBondContact O-CA 3.38Å; I459-L461 HydrophobicContact CG2-CD2 3.73Å; I459-L461 HydrophobicContact CG2-CG 4.4Å; I459-L461 PolarHBondContact O-N 2.99Å
460I92.2Very high93.1Very high36 Ų3686.8 Ų86.819%0.18544%0.444CS..EExtended strand (participates in β ladder)trans-89.7108.1176.6-54.3-176.3000106.7I444 V445 L446 L451 A455I444-I460 PolarHBondContact O-N 2.96Å; V445-I460 HydrophobicContact CB-CB 4.48Å; V445-I460 HydrophobicContact CG1-CB 4.2Å; V445-I460 HydrophobicContact CG1-CG2 4.41Å; V445-I460 HydrophobicContact CG2-CB 4.32Å; V445-I460 HydrophobicContact CG2-CD1 3.9Å; V445-I460 HydrophobicContact CG2-CG1 4.29Å; L446-I460 WeakPolarHBondContact CB-O 3.03Å; L446-I460 WeakPolarHBondContact CG-O 3.35Å; L446-I460 PolarHBondContact N-O 3.34Å; L451-I460 HydrophobicContact CD1-CD1 4.19Å; L451-I460 HydrophobicContact CD2-CD1 3.84Å; L451-I460 HydrophobicContact CG-CD1 3.95Å; A455-I460 HydrophobicContact CB-CD1 3.66Å; A455-I460 HydrophobicContact CB-CG1 4.49Å
461L87.8Confident92.8Very high146 Ų14680.9 Ų80.976%0.76442%0.42SS*.  trans-84.90-173.1-65.9178.8000113.4L446 K449 I459L446-L461 HydrophobicContact CD1-CB 4.4Å; L446-L461 HydrophobicContact CD1-CD2 3.55Å; L446-L461 HydrophobicContact CG-CD2 4.19Å; K449-L461 WeakPolarHBondContact CD-O 3.4Å; K449-L461 WeakPolarHBondContact CE-O 3.26Å; K449-L461 WeakPolarHBondContact CE-OXT 2.84Å; K449-L461 PolarHBondContact NZ-O 3.36Å; K449-L461 PolarHBondContact NZ-OXT 2.91Å; I459-L461 HydrophobicContact CG2-CD2 3.73Å; I459-L461 HydrophobicContact CG2-CG 4.4Å; I459-L461 PolarHBondContact O-N 2.99Å

Retrieved 461 of 461 residues in 176.9 ms (Link to these results)

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