A0A2K6RCS6_RHIRO Loading...

HDGF like 3

AlphaFold DB , UniProt , Accession A0A2K6RCS6, Species RHIRO (Rhinopithecus roxellana, Golden snub-nosed monkey), Gene HDGFL3, Length 212 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
1M46.7Very low68.7Low233 Ų233139.6 Ų139.6100%1.14870%0.696SS**  0121.60-75.274.2-177.600109R3M1-R3 PolarHBondContact O-N 3.32Å
2A50Low70.4Confident103 Ų103132.2 Ų132.285%0.85168%0.681SS**PPolyproline II helixtrans-65.3123.4174.700000108.9
3R56.2Low72.1Confident230 Ų230127.1 Ų127.187%0.86866%0.656SS**PPolyproline II helixtrans-63.2127.9166.8-65.3-175.9176.5-140.4-0.3106.5M1 R5M1-R3 PolarHBondContact O-N 3.32Å; R3-R5 PolarHBondContact O-N 3.18Å
4P63.1Low73.6Confident124 Ų124122 Ų12281%0.80563%0.63SS**PPolyproline II helixtrans-57.1128.1174.522.9-30.5000107.9
5R56.8Low75Confident225 Ų225113.9 Ų113.985%0.84959%0.588SS**PPolyproline II helixtrans-56.7143178.5-69-120.8-79.6165.6-5.4108.7R3 R7R3-R5 PolarHBondContact O-N 3.18Å; R5-R7 PolarHBondContact O-N 2.93Å
6P62.4Low76.3Confident121 Ų121106.8 Ų106.879%0.78655%0.552SS**  trans-51.4113.9168.7-20.130.7000107.5E8P6-E8 PolarHBondContact O-N 2.7Å
7R71.4Confident77.4Confident126 Ų126100.5 Ų100.548%0.47552%0.519SS..  trans-82.2113.3175.3-91.5178.5-179.5-128.29.3107.4R5 Y9 E67R5-R7 PolarHBondContact O-N 2.93Å; R7-Y9 HydrophobicContact CB-CE2 4.18Å; R7-E67 IonicContact CZ-OE1 3Å; R7-E67 IonicContact CZ-OE2 3.75Å; R7-E67 IonicContact NH1-OE1 2.61Å; R7-E67 PolarHBondContact NH1-OE1 3.09Å; R7-E67 IonicContact NH2-OE1 2.64Å; R7-E67 PolarHBondContact NH2-OE1 2.96Å; R7-E67 IonicContact NH2-OE2 2.96Å; R7-E67 PolarHBondContact NH2-OE2 2.64Å
8E82.9Confident78.4Confident155 Ų15598.4 Ų98.472%0.72451%0.505SS*.  trans-79.9136.8165.2-67.9171.8-15400107.8P6P6-E8 PolarHBondContact O-N 2.7Å
9Y87.4Confident79.1Confident20 Ų2095.8 Ų95.88%0.07849%0.491CS..  trans-114.9143-177.1-77.3-66.1000108.6R7 V15 I29 Y44 P59 L62 P64R7-Y9 HydrophobicContact CB-CE2 4.18Å; Y9-V15 HydrophobicContact CD1-CG1 3.86Å; Y9-V15 HydrophobicContact CE1-CG1 3.57Å; Y9-I29 HydrophobicContact CD1-CD1 3.6Å; Y9-I29 HydrophobicContact CG-CD1 3.73Å; Y9-Y44 HydrophobicContact CD2-CE2 4.27Å; Y9-Y44 VanDerWaalsContact O-CE1 3.24Å; Y9-Y44 WeakPolarHBondContact O-CE1 3.32Å; Y9-P59 HydrophobicContact CD2-CB 4.03Å; Y9-P59 HydrophobicContact CE2-CB 4.02Å; Y9-L62 HydrophobicContact CD2-CB 4.12Å; Y9-L62 HydrophobicContact CD2-CD1 3.75Å; Y9-L62 HydrophobicContact CE1-CB 4.48Å; Y9-L62 HydrophobicContact CE2-CB 3.51Å; Y9-L62 HydrophobicContact CE2-CD1 4.04Å; Y9-L62 HydrophobicContact CE2-CG 4.4Å; Y9-L62 HydrophobicContact CG-CD1 4.24Å; Y9-L62 PolarHBondContact OH-O 3.16Å; Y9-P64 WeakPolarHBondContact OH-CD 3.35Å
10K89.6Confident79.8Confident146 Ų146101.2 Ų101.264%0.63551%0.511SS*.  trans-116.9158179.1-63.6-174-177-66.70110.9G12 D13 I29K10-G12 PolarHBondContact O-N 3.24Å; K10-D13 PolarHBondContact N-OD2 2.76Å; K10-D13 VanDerWaalsContact O-CB 3.27Å; K10-D13 WeakPolarHBondContact O-CB 3.4Å; K10-D13 PolarHBondContact O-N 3.22Å; K10-I29 WeakPolarHBondContact O-CB 3.46Å
11A88.9Confident80.4Confident53 Ų5399.2 Ų99.244%0.43852%0.516SS..THydrogen-bonded Turntrans-56135.4171.400000110.6D13 E31A11-D13 VanDerWaalsContact C-N 3.35Å; A11-E31 HydrophobicContact CB-CB 3.72Å; A11-E31 HydrophobicContact CB-CG 4.06Å
12G89.5Confident82.6Confident50 Ų5093.3 Ų93.352%0.51548%0.482SS..THydrogen-bonded Turntrans87.7-9.9-174.300000115K10 L14 I29K10-G12 PolarHBondContact O-N 3.24Å; G12-L14 PolarHBondContact O-N 3.21Å; G12-I29 PolarHBondContact N-O 2.83Å
13D92.6Very high84.7Confident66 Ų6689.8 Ų89.835%0.35345%0.451SS..  trans-66.5130.5177-79.3-18.4000111.1K10 A11 R28 I29K10-D13 PolarHBondContact N-OD2 2.76Å; K10-D13 VanDerWaalsContact O-CB 3.27Å; K10-D13 WeakPolarHBondContact O-CB 3.4Å; K10-D13 PolarHBondContact O-N 3.22Å; A11-D13 VanDerWaalsContact C-N 3.35Å; D13-R28 CarbonylContact O-C 3.58Å; D13-R28 VanDerWaalsContact O-CA 3.27Å; D13-R28 WeakPolarHBondContact O-CA 3.3Å; D13-I29 HydrophobicContact CB-CD1 3.62Å; D13-I29 PolarHBondContact O-N 3.39Å
14L93.2Very high86.6Confident56 Ų5680.8 Ų80.829%0.29342%0.418SS..EExtended strand (participates in β ladder)trans-83.1126.6176.7-58.2-175.9000110.3G12 R28 F49 Y65 I88 P92G12-L14 PolarHBondContact O-N 3.21Å; L14-R28 HydrophobicContact CD2-CB 3.93Å; L14-F49 HydrophobicContact CD2-CE2 4.13Å; L14-F49 HydrophobicContact CD2-CZ 4.2Å; L14-Y65 VanDerWaalsContact C-CB 3.49Å; L14-Y65 HydrophobicContact CB-CD1 4.41Å; L14-Y65 HydrophobicContact CB-CG 4.26Å; L14-Y65 WeakPolarHBondContact O-CB 3.43Å; L14-Y65 PolarHBondContact O-N 3.36Å; L14-I88 HydrophobicContact CB-CD1 4.2Å; L14-I88 HydrophobicContact CB-CG1 4.37Å; L14-I88 HydrophobicContact CD1-CG1 4.01Å; L14-I88 HydrophobicContact CD2-CD1 4.43Å; L14-I88 HydrophobicContact CD2-CG1 4.03Å; L14-I88 HydrophobicContact CG-CG1 4.36Å; L14-P92 HydrophobicContact CD1-CB 4.41Å; L14-P92 HydrophobicContact CD2-CB 4.14Å
15V94.7Very high88.1Confident1 Ų175.3 Ų75.31%0.00638%0.381CS..EExtended strand (participates in β ladder)trans-141.4155.9-174-680000111.6Y9 A27 I29 L62 F63Y9-V15 HydrophobicContact CD1-CG1 3.86Å; Y9-V15 HydrophobicContact CE1-CG1 3.57Å; V15-A27 HydrophobicContact CG2-CB 4.3Å; V15-A27 PolarHBondContact N-O 3.3Å; V15-A27 CarbonylContact O-C 3.54Å; V15-A27 WeakPolarHBondContact O-CA 3.38Å; V15-A27 PolarHBondContact O-N 2.82Å; V15-I29 HydrophobicContact CB-CD1 4.46Å; V15-I29 HydrophobicContact CG1-CD1 3.62Å; V15-I29 HydrophobicContact CG2-CD1 3.95Å; V15-I29 HydrophobicContact CG2-CG1 4.31Å; V15-L62 HydrophobicContact CG2-CD2 4.2Å; V15-F63 CarbonylContact C-O 3.4Å; V15-F63 WeakPolarHBondContact CA-O 3.26Å; V15-F63 WeakPolarHBondContact CB-O 3.47Å
16F94.9Very high89.9Confident0 Ų064.6 Ų64.60%034%0.341CS..EExtended strand (participates in β ladder)trans-90.7125.2156.9-70.6-79.1000108.9H24 W25 P26 F63 Y65 F72 L85F16-H24 HydrophobicContact CB-CB 4.13Å; F16-H24 HydrophobicContact CD1-CB 4.4Å; F16-H24 WeakPolarHBondContact CD1-O 3.29Å; F16-H24 HydrophobicContact CG-CB 4.49Å; F16-W25 CarbonylContact C-O 3.6Å; F16-W25 VanDerWaalsContact CA-O 3.27Å; F16-W25 WeakPolarHBondContact CA-O 2.96Å; F16-P26 HydrophobicContact CE1-CB 4.25Å; F16-F63 HydrophobicContact CB-CB 4.18Å; F16-F63 PolarHBondContact N-O 3.46Å; F16-F63 PolarHBondContact O-N 2.85Å; F16-Y65 HydrophobicContact CD2-CD2 4.03Å; F16-Y65 HydrophobicContact CE1-CD2 4.27Å; F16-Y65 HydrophobicContact CE1-CE2 4.4Å; F16-Y65 AromaticContact CE2-CD2 3.32Å; F16-Y65 HydrophobicContact CE2-CD2 3.32Å; F16-Y65 AromaticContact CE2-CE2 3.85Å; F16-Y65 HydrophobicContact CE2-CE2 3.85Å; F16-Y65 HydrophobicContact CE2-CG 4.16Å; F16-Y65 AromaticContact CZ-CD2 3.47Å; F16-Y65 HydrophobicContact CZ-CD2 3.47Å; F16-Y65 VanDerWaalsContact CZ-CD2 3.47Å; F16-Y65 AromaticContact CZ-CE2 3.57Å; F16-Y65 HydrophobicContact CZ-CE2 3.57Å; F16-F72 HydrophobicContact CB-CD2 4.45Å; F16-F72 HydrophobicContact CD1-CB 4.04Å; F16-F72 HydrophobicContact CD2-CB 4.26Å; F16-F72 HydrophobicContact CD2-CD2 4.38Å; F16-F72 HydrophobicContact CE1-CB 4Å; F16-F72 HydrophobicContact CE2-CB 4.23Å; F16-F72 HydrophobicContact CG-CB 4.16Å; F16-F72 HydrophobicContact CG-CD2 4.36Å; F16-F72 HydrophobicContact CZ-CB 4.09Å; F16-L85 HydrophobicContact CE1-CD2 4.21Å
17A95.5Very high91.5Very high0 Ų058.8 Ų58.80%030%0.303CS..EExtended strand (participates in β ladder)trans-96.2135.1175.800000110.3W25 A27 I46 F48 L57 L62A17-W25 PolarHBondContact N-O 3.37Å; A17-W25 PolarHBondContact O-N 3.03Å; A17-A27 HydrophobicContact CB-CB 3.84Å; A17-I46 HydrophobicContact CB-CG2 3.89Å; A17-F48 HydrophobicContact CB-CD1 4.3Å; A17-F48 HydrophobicContact CB-CE1 3.44Å; A17-F48 VanDerWaalsContact CB-CE1 3.44Å; A17-F48 HydrophobicContact CB-CZ 3.96Å; A17-L57 HydrophobicContact CB-CD1 3.73Å; A17-L62 HydrophobicContact CB-CD2 4.24Å
18K94.7Very high92.6Very high62 Ų6253.3 Ų53.327%0.2728%0.283SS..EExtended strand (participates in β ladder)trans-107.7121.5176.6-174.967.1-179.991.60110.6Y22 D61 F63K18-Y22 PolarHBondContact NZ-O 2.78Å; K18-D61 PolarHBondContact N-O 2.88Å; K18-D61 WeakPolarHBondContact O-CB 3.24Å; K18-F63 HydrophobicContact CB-CD2 4.3Å; K18-F63 HydrophobicContact CB-CE2 3.68Å
19M92.8Very high93Very high49 Ų4946.1 Ų46.124%0.24125%0.249CC..  trans-122.4164.9170.163.6169.772.700111.1G21 Y22 F48M19-G21 PolarHBondContact O-N 2.82Å; M19-Y22 HydrophobicContact CG-CD2 3.55Å; M19-Y22 HydrophobicContact CG-CG 3.74Å; M19-Y22 HydrophobicContact SD-CD1 4.22Å; M19-Y22 HydrophobicContact SD-CD2 3.24Å; M19-Y22 WeakPolarHBondContact SD-CD2 3.17Å; M19-Y22 HydrophobicContact SD-CE2 3.69Å; M19-Y22 HydrophobicContact SD-CG 3.55Å; M19-Y22 VanDerWaalsContact SD-CG 3.55Å; M19-F48 HydrophobicContact CE-CD1 4.18Å; M19-F48 HydrophobicContact CE-CD2 4.34Å; M19-F48 HydrophobicContact CE-CE1 3.42Å; M19-F48 VanDerWaalsContact CE-CE1 3.42Å; M19-F48 HydrophobicContact CE-CE2 3.64Å; M19-F48 HydrophobicContact CE-CZ 3.12Å
20K92.8Very high93.1Very high204 Ų20446.2 Ų46.289%0.88725%0.251SS*.THydrogen-bonded Turntrans-69.5127-178.7-171.6175.5174.578.10110Y22K20-Y22 VanDerWaalsContact C-N 3.33Å; K20-Y22 WeakPolarHBondContact O-CD2 3.32Å; K20-Y22 PolarHBondContact O-N 3.22Å
21G92.4Very high92.9Very high60 Ų6046 Ų4662%0.61925%0.253SS*.THydrogen-bonded Turntrans86.6-10178.500000116.2M19 R78M19-G21 PolarHBondContact O-N 2.82Å; G21-R78 PolarHBondContact O-NH2 2.61Å
22Y92.1Very high92.1Very high108 Ų10845 Ų4542%0.42424%0.24SC..SBendtrans-111.7154.7178.3-64-103.4000111.9K18 M19 K20 W25K18-Y22 PolarHBondContact NZ-O 2.78Å; M19-Y22 HydrophobicContact CG-CD2 3.55Å; M19-Y22 HydrophobicContact CG-CG 3.74Å; M19-Y22 HydrophobicContact SD-CD1 4.22Å; M19-Y22 HydrophobicContact SD-CD2 3.24Å; M19-Y22 WeakPolarHBondContact SD-CD2 3.17Å; M19-Y22 HydrophobicContact SD-CE2 3.69Å; M19-Y22 HydrophobicContact SD-CG 3.55Å; M19-Y22 VanDerWaalsContact SD-CG 3.55Å; K20-Y22 VanDerWaalsContact C-N 3.33Å; K20-Y22 WeakPolarHBondContact O-CD2 3.32Å; K20-Y22 PolarHBondContact O-N 3.22Å; Y22-W25 HydrophobicContact CD1-CE3 4.19Å; Y22-W25 AromaticContact CD1-CZ3 3.95Å; Y22-W25 HydrophobicContact CD1-CZ3 3.95Å
23P94.3Very high91.1Very high30 Ų3045.9 Ų45.920%0.19524%0.236CC..  trans-63.1174.4168.630.6-37000111.2W25 N76 R78 F81P23-W25 HydrophobicContact CG-CE3 4.08Å; P23-W25 HydrophobicContact CG-CZ3 4.34Å; P23-W25 PolarHBondContact O-N 2.93Å; P23-W25 VanDerWaalsContact O-N 3.09Å; P23-N76 WeakPolarHBondContact CB-ND2 3.41Å; P23-R78 HydrophobicContact CG-CG 4.3Å; P23-F81 HydrophobicContact CB-CE2 4.1Å; P23-F81 HydrophobicContact CG-CD2 3.85Å; P23-F81 HydrophobicContact CG-CE2 3.74Å
24H95.9Very high89.5Confident40 Ų4052.6 Ų52.619%0.18527%0.265CS..EExtended strand (participates in β ladder)trans-67105.7169.3-67.289.9000108.4F16 F63 F72 F81F16-H24 HydrophobicContact CB-CB 4.13Å; F16-H24 HydrophobicContact CD1-CB 4.4Å; F16-H24 WeakPolarHBondContact CD1-O 3.29Å; F16-H24 HydrophobicContact CG-CB 4.49Å; H24-F63 AromaticContact CD2-CD2 3.82Å; H24-F63 AromaticContact CD2-CE2 3.91Å; H24-F63 AromaticContact NE2-CE2 3.96Å; H24-F72 HydrophobicContact CB-CB 3.82Å; H24-F72 HydrophobicContact CB-CD1 4.04Å; H24-F72 HydrophobicContact CB-CD2 3.61Å; H24-F72 HydrophobicContact CB-CE2 4.17Å; H24-F72 HydrophobicContact CB-CG 3.56Å; H24-F72 AromaticContact CD2-CD2 3.78Å; H24-F72 AromaticContact CD2-CE2 3.43Å; H24-F72 VanDerWaalsContact CD2-CE2 3.43Å; H24-F72 WeakPolarHBondContact CD2-CE2 3.4Å; H24-F72 AromaticContact CD2-CZ 3.78Å; H24-F72 AromaticContact CE1-CE1 3.51Å; H24-F72 AromaticContact CE1-CE2 3.81Å; H24-F72 AromaticContact CE1-CZ 3.3Å; H24-F72 WeakPolarHBondContact CE1-CZ 3.48Å; H24-F72 AromaticContact CG-CD1 3.86Å; H24-F72 AromaticContact CG-CD2 3.54Å; H24-F72 AromaticContact CG-CE1 3.89Å; H24-F72 AromaticContact CG-CE2 3.56Å; H24-F72 AromaticContact CG-CG 3.72Å; H24-F72 AromaticContact CG-CZ 3.76Å; H24-F72 AromaticContact ND1-CD1 3.55Å; H24-F72 AromaticContact ND1-CE1 3.32Å; H24-F72 VanDerWaalsContact ND1-CE1 3.32Å; H24-F72 WeakPolarHBondContact ND1-CE1 3.44Å; H24-F72 AromaticContact ND1-CE2 3.8Å; H24-F72 AromaticContact ND1-CG 3.92Å; H24-F72 AromaticContact ND1-CZ 3.46Å; H24-F72 WeakPolarHBondContact ND1-CZ 3.41Å; H24-F72 AromaticContact NE2-CE2 3.63Å; H24-F72 AromaticContact NE2-CZ 3.51Å; H24-F81 WeakPolarHBondContact O-CE2 3.27Å; H24-F81 WeakPolarHBondContact O-CZ 3.48Å
25W95.8Very high87.8Confident9 Ų953.6 Ų53.63%0.03429%0.289CS..EExtended strand (participates in β ladder)trans-92.3135.1-168.5-156.3-76.9000111.3F16 A17 Y22 P23 A27 F48 F49 T51 R78 K79 F81F16-W25 CarbonylContact C-O 3.6Å; F16-W25 VanDerWaalsContact CA-O 3.27Å; F16-W25 WeakPolarHBondContact CA-O 2.96Å; A17-W25 PolarHBondContact N-O 3.37Å; A17-W25 PolarHBondContact O-N 3.03Å; Y22-W25 HydrophobicContact CD1-CE3 4.19Å; Y22-W25 AromaticContact CD1-CZ3 3.95Å; Y22-W25 HydrophobicContact CD1-CZ3 3.95Å; P23-W25 HydrophobicContact CG-CE3 4.08Å; P23-W25 HydrophobicContact CG-CZ3 4.34Å; P23-W25 PolarHBondContact O-N 2.93Å; P23-W25 VanDerWaalsContact O-N 3.09Å; W25-A27 PolarHBondContact O-N 3.41Å; W25-F48 HydrophobicContact CB-CD1 3.85Å; W25-F48 HydrophobicContact CB-CE1 4.13Å; W25-F48 AromaticContact CD1-CD1 3.69Å; W25-F48 AromaticContact CG-CD1 3.85Å; W25-F48 HydrophobicContact CG-CD1 3.85Å; W25-F49 PolarHBondContact NE1-O 2.96Å; W25-T51 HydrophobicContact CH2-CG2 4.18Å; W25-T51 HydrophobicContact CZ2-CG2 3.59Å; W25-R78 HydrophobicContact CH2-CB 3.92Å; W25-R78 HydrophobicContact CZ3-CB 3.83Å; W25-R78 HydrophobicContact CZ3-CG 4.27Å; W25-K79 VanDerWaalsContact CH2-O 3.28Å; W25-K79 WeakPolarHBondContact CH2-O 3.43Å; W25-F81 AromaticContact CD2-CD2 3.8Å; W25-F81 HydrophobicContact CD2-CD2 3.8Å; W25-F81 HydrophobicContact CD2-CE2 4.41Å; W25-F81 AromaticContact CE3-CD2 3.71Å; W25-F81 HydrophobicContact CE3-CD2 3.71Å; W25-F81 HydrophobicContact CE3-CE2 4.39Å; W25-F81 HydrophobicContact CG-CD2 4.35Å; W25-F81 HydrophobicContact CH2-CB 3.92Å; W25-F81 HydrophobicContact CH2-CD2 4.31Å; W25-F81 HydrophobicContact CZ2-CB 3.99Å; W25-F81 HydrophobicContact CZ2-CD2 4.36Å; W25-F81 HydrophobicContact CZ3-CB 4.33Å; W25-F81 AromaticContact CZ3-CD2 3.99Å; W25-F81 HydrophobicContact CZ3-CD2 3.99Å
26P94.9Very high86.1Confident0 Ų055 Ų550%030%0.3CS..EExtended strand (participates in β ladder)trans-63.5122.9175.726.2-34.3000110.4F16 F49 G84 L85 I88F16-P26 HydrophobicContact CE1-CB 4.25Å; P26-F49 WeakPolarHBondContact O-CB 3.27Å; P26-F49 PolarHBondContact O-N 2.84Å; P26-G84 VanDerWaalsContact CG-C 3.46Å; P26-L85 HydrophobicContact CB-CD2 4.19Å; P26-L85 HydrophobicContact CG-CD2 4.09Å; P26-L85 HydrophobicContact CG-CG 4.34Å; P26-I88 HydrophobicContact CB-CB 4.35Å; P26-I88 HydrophobicContact CB-CD1 3.97Å; P26-I88 HydrophobicContact CB-CG2 4.11Å
27A95.6Very high84.4Confident0 Ų061.4 Ų61.40%034%0.339CS..EExtended strand (participates in β ladder)trans-144.7170.4-174.300000111.4V15 A17 W25 I46 F47 F48 F49V15-A27 HydrophobicContact CG2-CB 4.3Å; V15-A27 PolarHBondContact N-O 3.3Å; V15-A27 CarbonylContact O-C 3.54Å; V15-A27 WeakPolarHBondContact O-CA 3.38Å; V15-A27 PolarHBondContact O-N 2.82Å; A17-A27 HydrophobicContact CB-CB 3.84Å; W25-A27 PolarHBondContact O-N 3.41Å; A27-I46 HydrophobicContact CB-CG2 3.56Å; A27-F47 CarbonylContact C-O 3.36Å; A27-F47 WeakPolarHBondContact CA-O 3.44Å; A27-F47 VanDerWaalsContact CB-O 3.24Å; A27-F47 WeakPolarHBondContact CB-O 3.37Å; A27-F48 HydrophobicContact CB-CD1 4.22Å; A27-F49 VanDerWaalsContact C-CE2 3.47Å
28R93.8Very high82.9Confident11 Ų1170.4 Ų70.44%0.04238%0.378CS..EExtended strand (participates in β ladder)trans-130.9156.3165.268.1170.5-171.1-118.1-19.3110.5D13 L14 D30 I46 F47 F49 P92 V94D13-R28 CarbonylContact O-C 3.58Å; D13-R28 VanDerWaalsContact O-CA 3.27Å; D13-R28 WeakPolarHBondContact O-CA 3.3Å; L14-R28 HydrophobicContact CD2-CB 3.93Å; R28-D30 PolarHBondContact O-N 3.02Å; R28-I46 WeakPolarHBondContact O-CA 3.19Å; R28-F47 HydrophobicContact CG-CB 3.98Å; R28-F47 HydrophobicContact CG-CD1 4.03Å; R28-F47 HydrophobicContact CG-CG 4.47Å; R28-F47 PolarHBondContact N-O 2.91Å; R28-F47 PolarHBondContact O-N 3.06Å; R28-F49 HydrophobicContact CB-CE2 3.84Å; R28-F49 HydrophobicContact CB-CZ 3.92Å; R28-F49 HydrophobicContact CG-CE2 4.11Å; R28-F49 HydrophobicContact CG-CZ 3.84Å; R28-P92 PolarHBondContact NH1-O 3.19Å; R28-V94 PolarHBondContact NH1-O 3.17Å; R28-V94 PolarHBondContact NH2-O 3.2Å
29I92.2Very high81.6Confident3 Ų370 Ų702%0.01538%0.382CS..EExtended strand (participates in β ladder)trans-76.8121.6165.6-65.9118.9000107.7Y9 K10 G12 D13 V15 Y44 P45 I46 L62Y9-I29 HydrophobicContact CD1-CD1 3.6Å; Y9-I29 HydrophobicContact CG-CD1 3.73Å; K10-I29 WeakPolarHBondContact O-CB 3.46Å; G12-I29 PolarHBondContact N-O 2.83Å; D13-I29 HydrophobicContact CB-CD1 3.62Å; D13-I29 PolarHBondContact O-N 3.39Å; V15-I29 HydrophobicContact CB-CD1 4.46Å; V15-I29 HydrophobicContact CG1-CD1 3.62Å; V15-I29 HydrophobicContact CG2-CD1 3.95Å; V15-I29 HydrophobicContact CG2-CG1 4.31Å; I29-Y44 HydrophobicContact CG2-CD1 4.32Å; I29-P45 CarbonylContact C-O 3.51Å; I29-P45 WeakPolarHBondContact CA-O 3.5Å; I29-I46 HydrophobicContact CB-CD1 4.48Å; I29-I46 HydrophobicContact CG1-CD1 3.63Å; I29-L62 HydrophobicContact CD1-CD1 4.49Å; I29-L62 HydrophobicContact CG1-CD1 4.35Å
30D89.1Confident80.5Confident22 Ų2270.5 Ų70.512%0.11839%0.389CS..PPolyproline II helixtrans-84.8168.3174.4-146-8.8000110.5R28 P45 F47R28-D30 PolarHBondContact O-N 3.02Å; D30-P45 HydrophobicContact CB-CB 4.5Å; D30-P45 PolarHBondContact N-O 3.12Å; D30-P45 VanDerWaalsContact O-CG 3.31Å; D30-P45 WeakPolarHBondContact O-CG 3.4Å; D30-F47 HydrophobicContact CB-CB 4.41Å
31E84.4Confident79.5Confident143 Ų14364.9 Ų64.967%0.66838%0.381SS*.PPolyproline II helixtrans-94.4122170.4-162.5170176.300108.8A11A11-E31 HydrophobicContact CB-CB 3.72Å; A11-E31 HydrophobicContact CB-CG 4.06Å
32L73.9Confident79Confident32 Ų3268.7 Ų68.717%0.16839%0.387CS..PPolyproline II helixtrans-78.5129.9170.1-141.275.8000108.2E34 P39 P45 F56 Y99L32-E34 PolarHBondContact O-N 2.95Å; L32-P39 HydrophobicContact CD2-CB 3.93Å; L32-P39 HydrophobicContact CD2-CG 4Å; L32-P45 HydrophobicContact CB-CG 4.11Å; L32-P45 HydrophobicContact CD1-CB 3.67Å; L32-P45 HydrophobicContact CD1-CG 3.89Å; L32-F56 HydrophobicContact CD1-CE1 3.83Å; L32-F56 HydrophobicContact CD1-CZ 3.85Å; L32-F56 HydrophobicContact CD2-CE1 4.11Å; L32-F56 HydrophobicContact CD2-CZ 4.31Å; L32-Y99 HydrophobicContact CD1-CE1 4.19Å
33P68.6Low78.8Confident67 Ų6768.4 Ų68.444%0.43539%0.388SS..PPolyproline II helixtrans-59.6127.1172.523.1-32.3000109.8G35 A36P33-G35 PolarHBondContact O-N 2.9Å; P33-A36 HydrophobicContact CG-CB 4.12Å; P33-A36 PolarHBondContact O-N 3.38Å; P33-A36 VanDerWaalsContact O-N 3.17Å
34E57.6Low78.6Confident208 Ų20869.8 Ų69.897%0.97239%0.39SS*.THydrogen-bonded Turntrans-70.227-173-167.8139.4-158.900114.8L32L32-E34 PolarHBondContact O-N 2.95Å
35G57.9Low78.3Confident76 Ų7668.4 Ų68.478%0.78438%0.384SS*.THydrogen-bonded Turntrans-142.3-4.8176.100000114.4P33P33-G35 PolarHBondContact O-N 2.9Å
36A59.7Low78.2Confident30 Ų3068 Ų6825%0.24838%0.382CS..SBendtrans-84.7157.7167.600000109.4P33 K38P33-A36 HydrophobicContact CG-CB 4.12Å; P33-A36 PolarHBondContact O-N 3.38Å; P33-A36 VanDerWaalsContact O-N 3.17Å; A36-K38 PolarHBondContact O-N 3.03Å
37V58.8Low78.1Confident136 Ų13668 Ų6882%0.82438%0.382SS*.SBendtrans-29.1118.6-179-176.80000112.3
38K64.8Low78Confident188 Ų18868.1 Ų68.182%0.81738%0.383SS*.PPolyproline II helixtrans-46.4123.9-174.7-168.4174-177.4168.30110.3A36A36-K38 PolarHBondContact O-N 3.03Å
39P65.8Low78Confident53 Ų5367.6 Ų67.634%0.34438%0.381SS..PPolyproline II helixtrans-57.5146.2-178.917.1-26.1000110L32 A41 F56L32-P39 HydrophobicContact CD2-CB 3.93Å; L32-P39 HydrophobicContact CD2-CG 4Å; P39-A41 PolarHBondContact O-N 3.27Å; P39-F56 HydrophobicContact CB-CE1 4.34Å
40P70.4Confident78Confident61 Ų6168 Ų6840%0.39639%0.386SS..PPolyproline II helixtrans-52.9127.8172.6-22.331.5000109.3N42 K43P40-N42 PolarHBondContact O-N 2.85Å; P40-K43 HydrophobicContact CB-CB 4.36Å; P40-K43 HydrophobicContact CB-CD 3.9Å; P40-K43 HydrophobicContact CB-CG 4.16Å; P40-K43 HydrophobicContact CG-CD 4.27Å; P40-K43 PolarHBondContact O-N 2.7Å
41A72.6Confident78.1Confident86 Ų8669.4 Ų69.471%0.71140%0.396SS*.THydrogen-bonded Turntrans-51.9129.6-17700000110.4P39P39-A41 PolarHBondContact O-N 3.27Å
42N81.1Confident78.4Confident140 Ų14065.1 Ų65.175%0.74938%0.376SS*.THydrogen-bonded Turntrans71.819.1-178-44.2-70.5000116.4P40 P59P40-N42 PolarHBondContact O-N 2.85Å; N42-P59 WeakPolarHBondContact O-CD 3.45Å
43K88Confident79.2Confident101 Ų10168.7 Ų68.744%0.43939%0.391SS..  trans-115.7145.7168.3-59.2-169.4-171.6176.50110.8P40 F56 L57P40-K43 HydrophobicContact CB-CB 4.36Å; P40-K43 HydrophobicContact CB-CD 3.9Å; P40-K43 HydrophobicContact CB-CG 4.16Å; P40-K43 HydrophobicContact CG-CD 4.27Å; P40-K43 PolarHBondContact O-N 2.7Å; K43-F56 HydrophobicContact CB-CB 4.14Å; K43-F56 HydrophobicContact CD-CB 4.02Å; K43-L57 WeakPolarHBondContact CA-O 3.19Å
44Y89.2Confident80.2Confident60 Ų6067.9 Ų67.924%0.23539%0.385CS..EExtended strand (participates in β ladder)trans-107.2142.3175.2-61.9-81.5000109.3Y9 I29 I46 F56 L57 P59 L62Y9-Y44 HydrophobicContact CD2-CE2 4.27Å; Y9-Y44 VanDerWaalsContact O-CE1 3.24Å; Y9-Y44 WeakPolarHBondContact O-CE1 3.32Å; I29-Y44 HydrophobicContact CG2-CD1 4.32Å; Y44-I46 PolarHBondContact O-N 3.33Å; Y44-F56 WeakPolarHBondContact O-CA 3.27Å; Y44-L57 PolarHBondContact N-O 2.87Å; Y44-L57 PolarHBondContact O-N 2.78Å; Y44-P59 HydrophobicContact CE2-CB 4.17Å; Y44-P59 HydrophobicContact CE2-CG 4.31Å; Y44-L62 HydrophobicContact CD2-CD1 3.9Å; Y44-L62 HydrophobicContact CG-CD1 4.42Å
45P91.1Very high81.8Confident10 Ų1059.5 Ų59.57%0.06535%0.352CS..EExtended strand (participates in β ladder)trans-71.3125.416830.7-33.2000109.3I29 D30 L32 F56I29-P45 CarbonylContact C-O 3.51Å; I29-P45 WeakPolarHBondContact CA-O 3.5Å; D30-P45 HydrophobicContact CB-CB 4.5Å; D30-P45 PolarHBondContact N-O 3.12Å; D30-P45 VanDerWaalsContact O-CG 3.31Å; D30-P45 WeakPolarHBondContact O-CG 3.4Å; L32-P45 HydrophobicContact CB-CG 4.11Å; L32-P45 HydrophobicContact CD1-CB 3.67Å; L32-P45 HydrophobicContact CD1-CG 3.89Å; P45-F56 HydrophobicContact CB-CD1 4.31Å; P45-F56 HydrophobicContact CB-CE1 3.97Å
46I92.8Very high83.3Confident0 Ų060 Ų600%033%0.332CS..EExtended strand (participates in β ladder)trans-114129.9-177.1-53.2-54.2000108A17 A27 R28 I29 Y44 F48 T54 A55 L57 L62A17-I46 HydrophobicContact CB-CG2 3.89Å; A27-I46 HydrophobicContact CB-CG2 3.56Å; R28-I46 WeakPolarHBondContact O-CA 3.19Å; I29-I46 HydrophobicContact CB-CD1 4.48Å; I29-I46 HydrophobicContact CG1-CD1 3.63Å; Y44-I46 PolarHBondContact O-N 3.33Å; I46-F48 HydrophobicContact CG2-CE1 4.44Å; I46-F48 HydrophobicContact CG2-CE2 4.3Å; I46-F48 HydrophobicContact CG2-CZ 4.15Å; I46-T54 CarbonylContact O-C 2.9Å; I46-T54 VanDerWaalsContact O-CA 3.25Å; I46-T54 WeakPolarHBondContact O-CA 3.21Å; I46-A55 WeakPolarHBondContact CB-O 3.4Å; I46-A55 PolarHBondContact N-O 3.49Å; I46-A55 PolarHBondContact O-N 2.94Å; I46-L57 HydrophobicContact CG1-CB 3.85Å; I46-L57 HydrophobicContact CG1-CD1 4.21Å; I46-L57 HydrophobicContact CG1-CG 4.18Å; I46-L62 HydrophobicContact CD1-CD1 3.75Å; I46-L62 HydrophobicContact CD1-CD2 3.48Å; I46-L62 VanDerWaalsContact CD1-CD2 3.48Å; I46-L62 HydrophobicContact CD1-CG 4.25Å; I46-L62 HydrophobicContact CG1-CD2 3.84Å
47F92.6Very high84.8Confident0 Ų059.8 Ų59.80%033%0.327CS..EExtended strand (participates in β ladder)trans-102.6121.7171174.2-98.6000109.3A27 R28 D30 F49 H52 T54 V94 F96A27-F47 CarbonylContact C-O 3.36Å; A27-F47 WeakPolarHBondContact CA-O 3.44Å; A27-F47 VanDerWaalsContact CB-O 3.24Å; A27-F47 WeakPolarHBondContact CB-O 3.37Å; R28-F47 HydrophobicContact CG-CB 3.98Å; R28-F47 HydrophobicContact CG-CD1 4.03Å; R28-F47 HydrophobicContact CG-CG 4.47Å; R28-F47 PolarHBondContact N-O 2.91Å; R28-F47 PolarHBondContact O-N 3.06Å; D30-F47 HydrophobicContact CB-CB 4.41Å; F47-F49 HydrophobicContact CD1-CD1 4.14Å; F47-F49 HydrophobicContact CD1-CE1 4.13Å; F47-F49 AromaticContact CE1-CD1 3.69Å; F47-F49 HydrophobicContact CE1-CD1 3.69Å; F47-F49 AromaticContact CE1-CE1 3.89Å; F47-F49 HydrophobicContact CE1-CE1 3.89Å; F47-F49 HydrophobicContact CE1-CG 4.37Å; F47-H52 HydrophobicContact CE2-CB 3.63Å; F47-H52 HydrophobicContact CZ-CB 3.77Å; F47-H52 AromaticContact CZ-CD2 3.38Å; F47-H52 WeakPolarHBondContact CZ-CD2 3.3Å; F47-H52 AromaticContact CZ-CG 3.67Å; F47-T54 HydrophobicContact CD2-CG2 4.12Å; F47-V94 HydrophobicContact CE1-CG1 4.08Å; F47-V94 WeakPolarHBondContact CE1-O 3.28Å; F47-V94 HydrophobicContact CZ-CG1 4.42Å; F47-F96 HydrophobicContact CD2-CB 3.88Å; F47-F96 HydrophobicContact CE2-CB 3.56Å; F47-F96 HydrophobicContact CE2-CG 4.39Å
48F93.8Very high86.4Confident4 Ų454 Ų542%0.01830%0.295CS..EExtended strand (participates in β ladder)trans-86.4122.6177.6-66-84.5000110.2A17 M19 W25 A27 I46 H52 E53 A55 L57A17-F48 HydrophobicContact CB-CD1 4.3Å; A17-F48 HydrophobicContact CB-CE1 3.44Å; A17-F48 VanDerWaalsContact CB-CE1 3.44Å; A17-F48 HydrophobicContact CB-CZ 3.96Å; M19-F48 HydrophobicContact CE-CD1 4.18Å; M19-F48 HydrophobicContact CE-CD2 4.34Å; M19-F48 HydrophobicContact CE-CE1 3.42Å; M19-F48 VanDerWaalsContact CE-CE1 3.42Å; M19-F48 HydrophobicContact CE-CE2 3.64Å; M19-F48 HydrophobicContact CE-CZ 3.12Å; W25-F48 HydrophobicContact CB-CD1 3.85Å; W25-F48 HydrophobicContact CB-CE1 4.13Å; W25-F48 AromaticContact CD1-CD1 3.69Å; W25-F48 AromaticContact CG-CD1 3.85Å; W25-F48 HydrophobicContact CG-CD1 3.85Å; A27-F48 HydrophobicContact CB-CD1 4.22Å; I46-F48 HydrophobicContact CG2-CE1 4.44Å; I46-F48 HydrophobicContact CG2-CE2 4.3Å; I46-F48 HydrophobicContact CG2-CZ 4.15Å; F48-H52 WeakPolarHBondContact O-CA 3.4Å; F48-H52 PolarHBondContact O-N 3.38Å; F48-E53 HydrophobicContact CD2-CB 4.21Å; F48-E53 WeakPolarHBondContact CD2-O 3.24Å; F48-E53 PolarHBondContact N-O 3.47Å; F48-A55 HydrophobicContact CE2-CB 3.74Å; F48-A55 HydrophobicContact CZ-CB 4.45Å; F48-L57 HydrophobicContact CZ-CD1 4.08Å
49F93.6Very high87.6Confident0 Ų047.5 Ų47.50%027%0.272CS..THydrogen-bonded Turntrans-69.6149.1174.4-68.3-72.6000110.8L14 W25 P26 A27 R28 F47 T51 G84 E87 I88 V94L14-F49 HydrophobicContact CD2-CE2 4.13Å; L14-F49 HydrophobicContact CD2-CZ 4.2Å; W25-F49 PolarHBondContact NE1-O 2.96Å; P26-F49 WeakPolarHBondContact O-CB 3.27Å; P26-F49 PolarHBondContact O-N 2.84Å; A27-F49 VanDerWaalsContact C-CE2 3.47Å; R28-F49 HydrophobicContact CB-CE2 3.84Å; R28-F49 HydrophobicContact CB-CZ 3.92Å; R28-F49 HydrophobicContact CG-CE2 4.11Å; R28-F49 HydrophobicContact CG-CZ 3.84Å; F47-F49 HydrophobicContact CD1-CD1 4.14Å; F47-F49 HydrophobicContact CD1-CE1 4.13Å; F47-F49 AromaticContact CE1-CD1 3.69Å; F47-F49 HydrophobicContact CE1-CD1 3.69Å; F47-F49 AromaticContact CE1-CE1 3.89Å; F47-F49 HydrophobicContact CE1-CE1 3.89Å; F47-F49 HydrophobicContact CE1-CG 4.37Å; F49-T51 PolarHBondContact O-N 2.99Å; F49-G84 VanDerWaalsContact C-CA 3.43Å; F49-G84 VanDerWaalsContact CB-CA 3.47Å; F49-G84 WeakPolarHBondContact CB-O 3.2Å; F49-E87 WeakPolarHBondContact CA-OE2 3.39Å; F49-E87 HydrophobicContact CB-CB 4.14Å; F49-E87 WeakPolarHBondContact CB-OE2 3.19Å; F49-E87 HydrophobicContact CD1-CB 3.81Å; F49-E87 HydrophobicContact CG-CB 4.25Å; F49-I88 HydrophobicContact CD2-CB 3.75Å; F49-I88 HydrophobicContact CD2-CD1 3.9Å; F49-I88 HydrophobicContact CD2-CG1 3.96Å; F49-I88 HydrophobicContact CE2-CB 3.88Å; F49-I88 HydrophobicContact CE2-CD1 3.8Å; F49-I88 HydrophobicContact CE2-CG1 3.67Å; F49-I88 HydrophobicContact CG-CB 4.33Å; F49-I88 HydrophobicContact CZ-CG1 4.44Å; F49-V94 HydrophobicContact CD1-CG1 3.77Å; F49-V94 HydrophobicContact CE1-CG1 3.75Å
50G93.1Very high88.8Confident12 Ų1253.8 Ų53.812%0.12429%0.294CS..THydrogen-bonded Turntrans75.8-35.4-178.800000115.8G80 E87G50-G80 WeakPolarHBondContact CA-O 3.41Å; G50-E87 PolarHBondContact N-OE2 2.87Å
51T91.2Very high89.8Confident51 Ų5154.1 Ų54.131%0.31329%0.292SS..THydrogen-bonded Turntrans-95.9-17.9169.365.70000112.9W25 F49 E53W25-T51 HydrophobicContact CH2-CG2 4.18Å; W25-T51 HydrophobicContact CZ2-CG2 3.59Å; F49-T51 PolarHBondContact O-N 2.99Å; T51-E53 WeakPolarHBondContact CB-OE2 3.16Å; T51-E53 PolarHBondContact O-N 2.83Å; T51-E53 PolarHBondContact OG1-OE2 3.23Å
52H91Very high90.8Very high53 Ų5350.3 Ų50.325%0.24526%0.26CS..  trans54.919.6-176.2-58167.8000113.8F47 F48 E87 F96F47-H52 HydrophobicContact CE2-CB 3.63Å; F47-H52 HydrophobicContact CZ-CB 3.77Å; F47-H52 AromaticContact CZ-CD2 3.38Å; F47-H52 WeakPolarHBondContact CZ-CD2 3.3Å; F47-H52 AromaticContact CZ-CG 3.67Å; F48-H52 WeakPolarHBondContact O-CA 3.4Å; F48-H52 PolarHBondContact O-N 3.38Å; H52-E87 IonicContact CD2-OE1 3.96Å; H52-E87 IonicContact CD2-OE2 3.62Å; H52-E87 IonicContact CE1-OE1 3.48Å; H52-E87 PolarHBondContact CE1-OE1 2.72Å; H52-E87 IonicContact NE2-OE1 2.78Å; H52-E87 PolarHBondContact NE2-OE1 3.04Å; H52-E87 IonicContact NE2-OE2 3.15Å; H52-E87 PolarHBondContact NE2-OE2 3.01Å; H52-E87 VanDerWaalsContact NE2-OE2 3.15Å; H52-F96 HydrophobicContact CB-CD2 4.02Å; H52-F96 VanDerWaalsContact O-CD2 3.27Å; H52-F96 WeakPolarHBondContact O-CD2 3.42Å
53E90.4Very high91.3Very high107 Ų10746 Ų4650%0.523%0.234SC..  trans-72.7155.3175.8-69.6177.6108.200110.4F48 T51F48-E53 HydrophobicContact CD2-CB 4.21Å; F48-E53 WeakPolarHBondContact CD2-O 3.24Å; F48-E53 PolarHBondContact N-O 3.47Å; T51-E53 WeakPolarHBondContact CB-OE2 3.16Å; T51-E53 PolarHBondContact O-N 2.83Å; T51-E53 PolarHBondContact OG1-OE2 3.23Å
54T88.8Confident91.6Very high50 Ų5041.9 Ų41.931%0.30722%0.218SC..EExtended strand (participates in β ladder)trans-121.4137.2176.356.90000110.3I46 F47 F96 Y99I46-T54 CarbonylContact O-C 2.9Å; I46-T54 VanDerWaalsContact O-CA 3.25Å; I46-T54 WeakPolarHBondContact O-CA 3.21Å; F47-T54 HydrophobicContact CD2-CG2 4.12Å; T54-F96 HydrophobicContact CG2-CD1 4.17Å; T54-Y99 HydrophobicContact CG2-CE2 3.8Å
55A90.3Very high91.7Very high32 Ų3239.9 Ų39.926%0.26421%0.211SC..EExtended strand (participates in β ladder)trans-147.6162.2174.800000111.6I46 F48I46-A55 WeakPolarHBondContact CB-O 3.4Å; I46-A55 PolarHBondContact N-O 3.49Å; I46-A55 PolarHBondContact O-N 2.94Å; F48-A55 HydrophobicContact CE2-CB 3.74Å; F48-A55 HydrophobicContact CZ-CB 4.45Å
56F90.6Very high91.6Very high85 Ų8548.5 Ų48.537%0.37325%0.247SC..EExtended strand (participates in β ladder)trans-100.1113.7174.8-66.9-84.7000110.7L32 P39 K43 Y44 P45L32-F56 HydrophobicContact CD1-CE1 3.83Å; L32-F56 HydrophobicContact CD1-CZ 3.85Å; L32-F56 HydrophobicContact CD2-CE1 4.11Å; L32-F56 HydrophobicContact CD2-CZ 4.31Å; P39-F56 HydrophobicContact CB-CE1 4.34Å; K43-F56 HydrophobicContact CB-CB 4.14Å; K43-F56 HydrophobicContact CD-CB 4.02Å; Y44-F56 WeakPolarHBondContact O-CA 3.27Å; P45-F56 HydrophobicContact CB-CD1 4.31Å; P45-F56 HydrophobicContact CB-CE1 3.97Å
57L91.6Very high91.5Very high26 Ų2653.2 Ų53.214%0.13627%0.269CS..EExtended strand (participates in β ladder)trans-120.5149.4177.3-64.2177000111.6A17 K43 Y44 I46 F48 D61 L62A17-L57 HydrophobicContact CB-CD1 3.73Å; K43-L57 WeakPolarHBondContact CA-O 3.19Å; Y44-L57 PolarHBondContact N-O 2.87Å; Y44-L57 PolarHBondContact O-N 2.78Å; I46-L57 HydrophobicContact CG1-CB 3.85Å; I46-L57 HydrophobicContact CG1-CD1 4.21Å; I46-L57 HydrophobicContact CG1-CG 4.18Å; F48-L57 HydrophobicContact CZ-CD1 4.08Å; L57-D61 HydrophobicContact CB-CB 4.47Å; L57-L62 HydrophobicContact CB-CD2 4.14Å; L57-L62 HydrophobicContact CD1-CD2 4.31Å
58G91.4Very high91.4Very high15 Ų1556.5 Ų56.516%0.15528%0.282CS..  trans-82.3162.2173.600000111.6K60 D61 L62G58-K60 PolarHBondContact O-N 2.79Å; G58-D61 PolarHBondContact O-N 2.85Å; G58-L62 WeakPolarHBondContact O-CG 3.14Å
59P90.2Very high91.2Very high52 Ų5260.2 Ų60.234%0.33830%0.298SS..G310 helixtrans-59.9-15.317924-33.7000114.2Y9 N42 Y44 D61Y9-P59 HydrophobicContact CD2-CB 4.03Å; Y9-P59 HydrophobicContact CE2-CB 4.02Å; N42-P59 WeakPolarHBondContact O-CD 3.45Å; Y44-P59 HydrophobicContact CE2-CB 4.17Å; Y44-P59 HydrophobicContact CE2-CG 4.31Å; P59-D61 VanDerWaalsContact C-N 3.32Å
60K90.5Very high91.1Very high184 Ų18466.6 Ų66.680%0.833%0.332SS*.G310 helixtrans-68.2-31175.5-64.2179.4-179.5173.40113G58G58-K60 PolarHBondContact O-N 2.79Å
61D92.9Very high90.9Very high68 Ų6872.2 Ų72.236%0.36435%0.353SS..G310 helixtrans-100.84.4-176.6-63.2-57.3000112.1K18 L57 G58 P59K18-D61 PolarHBondContact N-O 2.88Å; K18-D61 WeakPolarHBondContact O-CB 3.24Å; L57-D61 HydrophobicContact CB-CB 4.47Å; G58-D61 PolarHBondContact O-N 2.85Å; P59-D61 VanDerWaalsContact C-N 3.32Å
62L92.6Very high90.8Very high6 Ų672.2 Ų72.23%0.03135%0.349CS..EExtended strand (participates in β ladder)trans-107.3126.5-180-58.8178.6000109.8Y9 V15 A17 I29 Y44 I46 L57 G58Y9-L62 HydrophobicContact CD2-CB 4.12Å; Y9-L62 HydrophobicContact CD2-CD1 3.75Å; Y9-L62 HydrophobicContact CE1-CB 4.48Å; Y9-L62 HydrophobicContact CE2-CB 3.51Å; Y9-L62 HydrophobicContact CE2-CD1 4.04Å; Y9-L62 HydrophobicContact CE2-CG 4.4Å; Y9-L62 HydrophobicContact CG-CD1 4.24Å; Y9-L62 PolarHBondContact OH-O 3.16Å; V15-L62 HydrophobicContact CG2-CD2 4.2Å; A17-L62 HydrophobicContact CB-CD2 4.24Å; I29-L62 HydrophobicContact CD1-CD1 4.49Å; I29-L62 HydrophobicContact CG1-CD1 4.35Å; Y44-L62 HydrophobicContact CD2-CD1 3.9Å; Y44-L62 HydrophobicContact CG-CD1 4.42Å; I46-L62 HydrophobicContact CD1-CD1 3.75Å; I46-L62 HydrophobicContact CD1-CD2 3.48Å; I46-L62 VanDerWaalsContact CD1-CD2 3.48Å; I46-L62 HydrophobicContact CD1-CG 4.25Å; I46-L62 HydrophobicContact CG1-CD2 3.84Å; L57-L62 HydrophobicContact CB-CD2 4.14Å; L57-L62 HydrophobicContact CD1-CD2 4.31Å; G58-L62 WeakPolarHBondContact O-CG 3.14Å
63F92.6Very high90.6Very high49 Ų4971.1 Ų71.122%0.21535%0.352CS..EExtended strand (participates in β ladder)trans-118.5128.7-179.1-61.4-91.5000108.8V15 F16 K18 H24 Y65 Y68V15-F63 CarbonylContact C-O 3.4Å; V15-F63 WeakPolarHBondContact CA-O 3.26Å; V15-F63 WeakPolarHBondContact CB-O 3.47Å; F16-F63 HydrophobicContact CB-CB 4.18Å; F16-F63 PolarHBondContact N-O 3.46Å; F16-F63 PolarHBondContact O-N 2.85Å; K18-F63 HydrophobicContact CB-CD2 4.3Å; K18-F63 HydrophobicContact CB-CE2 3.68Å; H24-F63 AromaticContact CD2-CD2 3.82Å; H24-F63 AromaticContact CD2-CE2 3.91Å; H24-F63 AromaticContact NE2-CE2 3.96Å; F63-Y65 PolarHBondContact O-N 3.42Å; F63-Y68 HydrophobicContact CB-CD2 4.02Å; F63-Y68 HydrophobicContact CB-CE2 4.38Å; F63-Y68 HydrophobicContact CB-CG 4.23Å; F63-Y68 HydrophobicContact CD1-CE1 4.19Å; F63-Y68 HydrophobicContact CD1-CE2 4.15Å; F63-Y68 AromaticContact CD1-CZ 3.96Å
64P93.3Very high90.6Very high16 Ų1672.7 Ų72.710%0.10436%0.357CS..EExtended strand (participates in β ladder)trans-59.3127-179.4-20.730.6000111.6Y9 K66 E67 Y68Y9-P64 WeakPolarHBondContact OH-CD 3.35Å; P64-K66 VanDerWaalsContact C-N 3.33Å; P64-K66 PolarHBondContact O-N 2.77Å; P64-E67 HydrophobicContact CB-CB 4.48Å; P64-E67 WeakPolarHBondContact CB-OE1 3.28Å; P64-E67 PolarHBondContact O-N 2.91Å; P64-Y68 PolarHBondContact O-N 3.3Å
65Y91.5Very high90.7Very high18 Ų1875.2 Ų75.27%0.07138%0.377CS..Hα-helixtrans-58.4-46.1-176.6174.6-99.5000111.5L14 F16 F63 E67 Y68 K69 I88 E89L14-Y65 VanDerWaalsContact C-CB 3.49Å; L14-Y65 HydrophobicContact CB-CD1 4.41Å; L14-Y65 HydrophobicContact CB-CG 4.26Å; L14-Y65 WeakPolarHBondContact O-CB 3.43Å; L14-Y65 PolarHBondContact O-N 3.36Å; F16-Y65 HydrophobicContact CD2-CD2 4.03Å; F16-Y65 HydrophobicContact CE1-CD2 4.27Å; F16-Y65 HydrophobicContact CE1-CE2 4.4Å; F16-Y65 AromaticContact CE2-CD2 3.32Å; F16-Y65 HydrophobicContact CE2-CD2 3.32Å; F16-Y65 AromaticContact CE2-CE2 3.85Å; F16-Y65 HydrophobicContact CE2-CE2 3.85Å; F16-Y65 HydrophobicContact CE2-CG 4.16Å; F16-Y65 AromaticContact CZ-CD2 3.47Å; F16-Y65 HydrophobicContact CZ-CD2 3.47Å; F16-Y65 VanDerWaalsContact CZ-CD2 3.47Å; F16-Y65 AromaticContact CZ-CE2 3.57Å; F16-Y65 HydrophobicContact CZ-CE2 3.57Å; F63-Y65 PolarHBondContact O-N 3.42Å; Y65-E67 VanDerWaalsContact C-N 3.26Å; Y65-E67 PolarHBondContact O-N 2.82Å; Y65-E67 VanDerWaalsContact O-N 3.16Å; Y65-Y68 PolarHBondContact O-N 3.47Å; Y65-K69 HydrophobicContact CE1-CB 4.47Å; Y65-K69 HydrophobicContact CE1-CD 3.89Å; Y65-K69 HydrophobicContact CE1-CG 4.3Å; Y65-K69 HydrophobicContact CE2-CG 4.33Å; Y65-K69 WeakPolarHBondContact O-CA 3.5Å; Y65-K69 VanDerWaalsContact O-CB 3.26Å; Y65-K69 WeakPolarHBondContact O-CB 3.46Å; Y65-K69 PolarHBondContact O-N 2.76Å; Y65-K69 WeakPolarHBondContact OH-CE 3.43Å; Y65-I88 HydrophobicContact CD2-CD1 3.46Å; Y65-I88 VanDerWaalsContact CD2-CD1 3.46Å; Y65-I88 HydrophobicContact CD2-CG1 4.22Å; Y65-I88 HydrophobicContact CE2-CD1 3.77Å; Y65-I88 HydrophobicContact CE2-CG1 4.15Å; Y65-I88 HydrophobicContact CE2-CG2 3.75Å; Y65-I88 HydrophobicContact CG-CD1 3.94Å; Y65-E89 VanDerWaalsContact OH-CG 3.29Å; Y65-E89 WeakPolarHBondContact OH-CG 3.42Å; Y65-E89 PolarHBondContact OH-OE1 2.95Å
66K89.8Confident90.7Very high191 Ų19176.3 Ų76.383%0.8338%0.378SS*.Hα-helixtrans-57.1-33.6-177.4-65.7-178.1179.3178.70114.3P64P64-K66 VanDerWaalsContact C-N 3.33Å; P64-K66 PolarHBondContact O-N 2.77Å
67E90.8Very high90.7Very high98 Ų9882.5 Ų82.546%0.45841%0.405SS..Hα-helixtrans-90.4-28-177.1-75.9160.7-99.300113.2R7 P64 Y65R7-E67 IonicContact CZ-OE1 3Å; R7-E67 IonicContact CZ-OE2 3.75Å; R7-E67 IonicContact NH1-OE1 2.61Å; R7-E67 PolarHBondContact NH1-OE1 3.09Å; R7-E67 IonicContact NH2-OE1 2.64Å; R7-E67 PolarHBondContact NH2-OE1 2.96Å; R7-E67 IonicContact NH2-OE2 2.96Å; R7-E67 PolarHBondContact NH2-OE2 2.64Å; P64-E67 HydrophobicContact CB-CB 4.48Å; P64-E67 WeakPolarHBondContact CB-OE1 3.28Å; P64-E67 PolarHBondContact O-N 2.91Å; Y65-E67 VanDerWaalsContact C-N 3.26Å; Y65-E67 PolarHBondContact O-N 2.82Å; Y65-E67 VanDerWaalsContact O-N 3.16Å
68Y89.5Confident90.6Very high69 Ų6987.4 Ų87.427%0.27142%0.422SS..Hα-helixtrans-107.91.5-175.1-73.7-92.4000113.3F63 P64 Y65 D70 K71 F72F63-Y68 HydrophobicContact CB-CD2 4.02Å; F63-Y68 HydrophobicContact CB-CE2 4.38Å; F63-Y68 HydrophobicContact CB-CG 4.23Å; F63-Y68 HydrophobicContact CD1-CE1 4.19Å; F63-Y68 HydrophobicContact CD1-CE2 4.15Å; F63-Y68 AromaticContact CD1-CZ 3.96Å; P64-Y68 PolarHBondContact O-N 3.3Å; Y65-Y68 PolarHBondContact O-N 3.47Å; Y68-D70 VanDerWaalsContact C-N 3.32Å; Y68-D70 PolarHBondContact O-N 3.03Å; Y68-K71 HydrophobicContact CD1-CD 3.94Å; Y68-K71 HydrophobicContact CE1-CD 4.28Å; Y68-K71 PolarHBondContact O-N 3.25Å; Y68-F72 AromaticContact CD1-CD2 3.85Å; Y68-F72 HydrophobicContact CD1-CD2 3.85Å; Y68-F72 AromaticContact CD1-CE2 3.27Å; Y68-F72 HydrophobicContact CD1-CE2 3.27Å; Y68-F72 AromaticContact CD1-CZ 3.95Å; Y68-F72 HydrophobicContact CD1-CZ 3.95Å; Y68-F72 AromaticContact CE1-CE2 3.99Å; Y68-F72 HydrophobicContact CE1-CE2 3.99Å; Y68-F72 HydrophobicContact CE1-CZ 4.42Å; Y68-F72 HydrophobicContact CG-CD2 4.13Å; Y68-F72 AromaticContact CG-CE2 3.93Å; Y68-F72 HydrophobicContact CG-CE2 3.93Å; Y68-F72 PolarHBondContact O-N 3.04Å
69K90.1Very high90.5Very high83 Ų8396.2 Ų96.236%0.36146%0.456SS..Hα-helixtrans-53.7-47.2175.8-178.1-178.4178.7172.60111.6Y65 K71 G73 E89Y65-K69 HydrophobicContact CE1-CB 4.47Å; Y65-K69 HydrophobicContact CE1-CD 3.89Å; Y65-K69 HydrophobicContact CE1-CG 4.3Å; Y65-K69 HydrophobicContact CE2-CG 4.33Å; Y65-K69 WeakPolarHBondContact O-CA 3.5Å; Y65-K69 VanDerWaalsContact O-CB 3.26Å; Y65-K69 WeakPolarHBondContact O-CB 3.46Å; Y65-K69 PolarHBondContact O-N 2.76Å; Y65-K69 WeakPolarHBondContact OH-CE 3.43Å; K69-K71 PolarHBondContact O-N 3.31Å; K69-G73 WeakPolarHBondContact O-CA 3.47Å; K69-G73 PolarHBondContact O-N 3.35Å; K69-E89 WeakPolarHBondContact CE-OE1 3.44Å; K69-E89 IonicContact NZ-OE1 2.7Å; K69-E89 PolarHBondContact NZ-OE1 2.95Å
70D90.1Very high90.5Very high134 Ų13494.6 Ų94.672%0.71745%0.448SS*.Hα-helixtrans-65.8-24.7179.6-58.4-84.1000113.3Y68Y68-D70 VanDerWaalsContact C-N 3.32Å; Y68-D70 PolarHBondContact O-N 3.03Å
71K90.3Very high90.7Very high130 Ų13085.9 Ų85.957%0.56541%0.411SS*.Hα-helixtrans-90-45.3-178-66.5179.9-178.4175.40112.4Y68 K69Y68-K71 HydrophobicContact CD1-CD 3.94Å; Y68-K71 HydrophobicContact CE1-CD 4.28Å; Y68-K71 PolarHBondContact O-N 3.25Å; K69-K71 PolarHBondContact O-N 3.31Å
72F88.6Confident90.7Very high51 Ų5186.3 Ų86.322%0.22441%0.413CS..Hα-helixtrans-115-11.1-169.4-56.6-38.4000114.3F16 H24 Y68 K74F16-F72 HydrophobicContact CB-CD2 4.45Å; F16-F72 HydrophobicContact CD1-CB 4.04Å; F16-F72 HydrophobicContact CD2-CB 4.26Å; F16-F72 HydrophobicContact CD2-CD2 4.38Å; F16-F72 HydrophobicContact CE1-CB 4Å; F16-F72 HydrophobicContact CE2-CB 4.23Å; F16-F72 HydrophobicContact CG-CB 4.16Å; F16-F72 HydrophobicContact CG-CD2 4.36Å; F16-F72 HydrophobicContact CZ-CB 4.09Å; H24-F72 HydrophobicContact CB-CB 3.82Å; H24-F72 HydrophobicContact CB-CD1 4.04Å; H24-F72 HydrophobicContact CB-CD2 3.61Å; H24-F72 HydrophobicContact CB-CE2 4.17Å; H24-F72 HydrophobicContact CB-CG 3.56Å; H24-F72 AromaticContact CD2-CD2 3.78Å; H24-F72 AromaticContact CD2-CE2 3.43Å; H24-F72 VanDerWaalsContact CD2-CE2 3.43Å; H24-F72 WeakPolarHBondContact CD2-CE2 3.4Å; H24-F72 AromaticContact CD2-CZ 3.78Å; H24-F72 AromaticContact CE1-CE1 3.51Å; H24-F72 AromaticContact CE1-CE2 3.81Å; H24-F72 AromaticContact CE1-CZ 3.3Å; H24-F72 WeakPolarHBondContact CE1-CZ 3.48Å; H24-F72 AromaticContact CG-CD1 3.86Å; H24-F72 AromaticContact CG-CD2 3.54Å; H24-F72 AromaticContact CG-CE1 3.89Å; H24-F72 AromaticContact CG-CE2 3.56Å; H24-F72 AromaticContact CG-CG 3.72Å; H24-F72 AromaticContact CG-CZ 3.76Å; H24-F72 AromaticContact ND1-CD1 3.55Å; H24-F72 AromaticContact ND1-CE1 3.32Å; H24-F72 VanDerWaalsContact ND1-CE1 3.32Å; H24-F72 WeakPolarHBondContact ND1-CE1 3.44Å; H24-F72 AromaticContact ND1-CE2 3.8Å; H24-F72 AromaticContact ND1-CG 3.92Å; H24-F72 AromaticContact ND1-CZ 3.46Å; H24-F72 WeakPolarHBondContact ND1-CZ 3.41Å; H24-F72 AromaticContact NE2-CE2 3.63Å; H24-F72 AromaticContact NE2-CZ 3.51Å; Y68-F72 AromaticContact CD1-CD2 3.85Å; Y68-F72 HydrophobicContact CD1-CD2 3.85Å; Y68-F72 AromaticContact CD1-CE2 3.27Å; Y68-F72 HydrophobicContact CD1-CE2 3.27Å; Y68-F72 AromaticContact CD1-CZ 3.95Å; Y68-F72 HydrophobicContact CD1-CZ 3.95Å; Y68-F72 AromaticContact CE1-CE2 3.99Å; Y68-F72 HydrophobicContact CE1-CE2 3.99Å; Y68-F72 HydrophobicContact CE1-CZ 4.42Å; Y68-F72 HydrophobicContact CG-CD2 4.13Å; Y68-F72 AromaticContact CG-CE2 3.93Å; Y68-F72 HydrophobicContact CG-CE2 3.93Å; Y68-F72 PolarHBondContact O-N 3.04Å; F72-K74 PolarHBondContact O-N 3.41Å
73G87.7Confident90.7Very high30 Ų3091.1 Ų91.131%0.30944%0.435SS..  trans-7326.5172.700000114.1K69K69-G73 WeakPolarHBondContact O-CA 3.47Å; K69-G73 PolarHBondContact O-N 3.35Å
74K90.6Very high90.8Very high140 Ų14088.8 Ų88.861%0.60943%0.425SS*.SBendtrans-92.9139.4179.3-60.7178.8-176.4-176.10108.9F72 N76 F81F72-K74 PolarHBondContact O-N 3.41Å; K74-N76 PolarHBondContact O-N 3.25Å; K74-F81 WeakPolarHBondContact O-CE1 3.25Å
75S89.6Confident90.7Very high103 Ų10389.1 Ų89.172%0.7243%0.426SS*.  trans-53.8141176.655.50000111.7N82S75-N82 WeakPolarHBondContact CA-OD1 3.45Å; S75-N82 WeakPolarHBondContact CB-OD1 3.31Å
76N89.9Confident90.8Very high55 Ų5595.9 Ų95.929%0.29445%0.451SS..  trans-126.6153.5-176.5-155.8-63.2000110.6P23 K74 R78 F81 N82P23-N76 WeakPolarHBondContact CB-ND2 3.41Å; K74-N76 PolarHBondContact O-N 3.25Å; N76-R78 PolarHBondContact O-N 3.3Å; N76-R78 PolarHBondContact OD1-N 3.4Å; N76-F81 HydrophobicContact CB-CB 4.01Å; N76-F81 HydrophobicContact CB-CD1 3.25Å; N76-F81 HydrophobicContact CB-CD2 4.06Å; N76-F81 HydrophobicContact CB-CE1 3.63Å; N76-F81 HydrophobicContact CB-CE2 4.35Å; N76-F81 HydrophobicContact CB-CG 3.5Å; N76-F81 VanDerWaalsContact CB-CG 3.5Å; N76-F81 HydrophobicContact CB-CZ 4.17Å; N76-N82 PolarHBondContact N-OD1 2.88Å; N76-N82 PolarHBondContact O-ND2 3.12Å; N76-N82 PolarHBondContact O-OD1 3.43Å
77K91.1Very high91Very high214 Ų21487.5 Ų87.593%0.9342%0.415SS*.SBendtrans-76.5-8.8178.9-68.6-173.1179.2-172.30113.4
78R88.9Confident91Very high129 Ų12983 Ų8349%0.48739%0.394SS..SBendtrans-68.8137.6176.4-67.7-63.9-168.8178.55.2110.5G21 P23 W25 N76 F81G21-R78 PolarHBondContact O-NH2 2.61Å; P23-R78 HydrophobicContact CG-CG 4.3Å; W25-R78 HydrophobicContact CH2-CB 3.92Å; W25-R78 HydrophobicContact CZ3-CB 3.83Å; W25-R78 HydrophobicContact CZ3-CG 4.27Å; N76-R78 PolarHBondContact O-N 3.3Å; N76-R78 PolarHBondContact OD1-N 3.4Å; R78-F81 HydrophobicContact CB-CB 4.16Å; R78-F81 WeakPolarHBondContact O-CB 3.46Å; R78-F81 PolarHBondContact O-N 2.87Å
79K90.9Very high91Very high200 Ų20084.5 Ų84.587%0.8740%0.404SS*.THydrogen-bonded Turntrans-60.9139.3174.1-64.8-170.2175.8-171.40109.8W25 F81W25-K79 VanDerWaalsContact CH2-O 3.28Å; W25-K79 WeakPolarHBondContact CH2-O 3.43Å; K79-F81 PolarHBondContact O-N 2.99Å
80G90.5Very high91Very high18 Ų1885.1 Ų85.119%0.18641%0.411CS..THydrogen-bonded Turntrans76.9-13.5-17800000115.2G50 G84G50-G80 WeakPolarHBondContact CA-O 3.41Å; G80-G84 PolarHBondContact O-N 2.94Å
81F93.5Very high90.8Very high2 Ų282.3 Ų82.31%0.00940%0.396CS..Hα-helixtrans-69.5-46.5-177.9-171.8-83.8000112.7P23 H24 W25 K74 N76 R78 K79 E83 G84 L85P23-F81 HydrophobicContact CB-CE2 4.1Å; P23-F81 HydrophobicContact CG-CD2 3.85Å; P23-F81 HydrophobicContact CG-CE2 3.74Å; H24-F81 WeakPolarHBondContact O-CE2 3.27Å; H24-F81 WeakPolarHBondContact O-CZ 3.48Å; W25-F81 AromaticContact CD2-CD2 3.8Å; W25-F81 HydrophobicContact CD2-CD2 3.8Å; W25-F81 HydrophobicContact CD2-CE2 4.41Å; W25-F81 AromaticContact CE3-CD2 3.71Å; W25-F81 HydrophobicContact CE3-CD2 3.71Å; W25-F81 HydrophobicContact CE3-CE2 4.39Å; W25-F81 HydrophobicContact CG-CD2 4.35Å; W25-F81 HydrophobicContact CH2-CB 3.92Å; W25-F81 HydrophobicContact CH2-CD2 4.31Å; W25-F81 HydrophobicContact CZ2-CB 3.99Å; W25-F81 HydrophobicContact CZ2-CD2 4.36Å; W25-F81 HydrophobicContact CZ3-CB 4.33Å; W25-F81 AromaticContact CZ3-CD2 3.99Å; W25-F81 HydrophobicContact CZ3-CD2 3.99Å; K74-F81 WeakPolarHBondContact O-CE1 3.25Å; N76-F81 HydrophobicContact CB-CB 4.01Å; N76-F81 HydrophobicContact CB-CD1 3.25Å; N76-F81 HydrophobicContact CB-CD2 4.06Å; N76-F81 HydrophobicContact CB-CE1 3.63Å; N76-F81 HydrophobicContact CB-CE2 4.35Å; N76-F81 HydrophobicContact CB-CG 3.5Å; N76-F81 VanDerWaalsContact CB-CG 3.5Å; N76-F81 HydrophobicContact CB-CZ 4.17Å; R78-F81 HydrophobicContact CB-CB 4.16Å; R78-F81 WeakPolarHBondContact O-CB 3.46Å; R78-F81 PolarHBondContact O-N 2.87Å; K79-F81 PolarHBondContact O-N 2.99Å; F81-E83 VanDerWaalsContact C-N 3.31Å; F81-G84 PolarHBondContact O-N 3.17Å; F81-L85 HydrophobicContact CD1-CD1 3.98Å; F81-L85 HydrophobicContact CD1-CG 4.07Å; F81-L85 HydrophobicContact CE1-CD1 3.58Å; F81-L85 HydrophobicContact CE1-CD2 4.18Å; F81-L85 HydrophobicContact CE1-CG 3.75Å; F81-L85 PolarHBondContact O-N 2.99Å
82N92.8Very high90.4Very high77 Ų7778.9 Ų78.941%0.41239%0.387SS..Hα-helixtrans-68.6-34.5179.6-58.7-46.4000111.5S75 N76 L85 W86S75-N82 WeakPolarHBondContact CA-OD1 3.45Å; S75-N82 WeakPolarHBondContact CB-OD1 3.31Å; N76-N82 PolarHBondContact N-OD1 2.88Å; N76-N82 PolarHBondContact O-ND2 3.12Å; N76-N82 PolarHBondContact O-OD1 3.43Å; N82-L85 PolarHBondContact O-N 3.45Å; N82-W86 PolarHBondContact O-N 2.86Å; N82-W86 VanDerWaalsContact O-N 3.12Å
83E93.3Very high89.7Confident107 Ų10778.7 Ų78.750%0.540%0.399SS..Hα-helixtrans-61.3-48170.6-177.7175.7-17500110.4F81 L85 W86 E87F81-E83 VanDerWaalsContact C-N 3.31Å; E83-L85 VanDerWaalsContact C-N 3.29Å; E83-L85 PolarHBondContact O-N 2.76Å; E83-W86 WeakPolarHBondContact O-CA 3.24Å; E83-W86 WeakPolarHBondContact O-CB 3.42Å; E83-W86 PolarHBondContact O-N 3.06Å; E83-E87 WeakPolarHBondContact O-CG 3.43Å; E83-E87 PolarHBondContact O-N 2.95Å
84G93.5Very high89.3Confident0 Ų078.6 Ų78.60%039%0.393CS..Hα-helixtrans-63.5-32.9177.900000114.1P26 F49 G80 F81 W86 I88P26-G84 VanDerWaalsContact CG-C 3.46Å; F49-G84 VanDerWaalsContact C-CA 3.43Å; F49-G84 VanDerWaalsContact CB-CA 3.47Å; F49-G84 WeakPolarHBondContact CB-O 3.2Å; G80-G84 PolarHBondContact O-N 2.94Å; F81-G84 PolarHBondContact O-N 3.17Å; G84-W86 VanDerWaalsContact C-N 3.32Å; G84-I88 WeakPolarHBondContact O-CG2 3.38Å; G84-I88 PolarHBondContact O-N 3.15Å
85L93Very high88.4Confident23 Ų2379.3 Ų79.312%0.1240%0.396CS..Hα-helixtrans-66.2-35171.6-76.8-176.1000112.4F16 P26 F81 N82 E83 I88F16-L85 HydrophobicContact CE1-CD2 4.21Å; P26-L85 HydrophobicContact CB-CD2 4.19Å; P26-L85 HydrophobicContact CG-CD2 4.09Å; P26-L85 HydrophobicContact CG-CG 4.34Å; F81-L85 HydrophobicContact CD1-CD1 3.98Å; F81-L85 HydrophobicContact CD1-CG 4.07Å; F81-L85 HydrophobicContact CE1-CD1 3.58Å; F81-L85 HydrophobicContact CE1-CD2 4.18Å; F81-L85 HydrophobicContact CE1-CG 3.75Å; F81-L85 PolarHBondContact O-N 2.99Å; N82-L85 PolarHBondContact O-N 3.45Å; E83-L85 VanDerWaalsContact C-N 3.29Å; E83-L85 PolarHBondContact O-N 2.76Å; L85-I88 VanDerWaalsContact O-CG2 3.3Å; L85-I88 WeakPolarHBondContact O-CG2 3.15Å
86W92.7Very high87.1Confident160 Ų16077.8 Ų77.861%0.60638%0.376SS*.Hα-helixtrans-73-42.8176-176.486.3000111.1N82 E83 G84 E89 N90N82-W86 PolarHBondContact O-N 2.86Å; N82-W86 VanDerWaalsContact O-N 3.12Å; E83-W86 WeakPolarHBondContact O-CA 3.24Å; E83-W86 WeakPolarHBondContact O-CB 3.42Å; E83-W86 PolarHBondContact O-N 3.06Å; G84-W86 VanDerWaalsContact C-N 3.32Å; W86-E89 PolarHBondContact O-N 2.74Å; W86-N90 HydrophobicContact CD2-CB 4.2Å; W86-N90 HydrophobicContact CE3-CB 4.44Å; W86-N90 HydrophobicContact CH2-CB 4.14Å; W86-N90 HydrophobicContact CZ2-CB 3.86Å; W86-N90 HydrophobicContact CZ3-CB 4.42Å; W86-N90 PolarHBondContact NE1-ND2 3.2Å; W86-N90 WeakPolarHBondContact O-CB 3.47Å; W86-N90 PolarHBondContact O-N 3.48Å; W86-N90 PolarHBondContact O-ND2 3.05Å
87E93.2Very high85.6Confident14 Ų1481 Ų817%0.06540%0.398CS..Hα-helixtrans-62.5-45.4179.2-72.5-171.9148.500112.9F49 G50 H52 E83 E89 N90 N91 P92F49-E87 WeakPolarHBondContact CA-OE2 3.39Å; F49-E87 HydrophobicContact CB-CB 4.14Å; F49-E87 WeakPolarHBondContact CB-OE2 3.19Å; F49-E87 HydrophobicContact CD1-CB 3.81Å; F49-E87 HydrophobicContact CG-CB 4.25Å; G50-E87 PolarHBondContact N-OE2 2.87Å; H52-E87 IonicContact CD2-OE1 3.96Å; H52-E87 IonicContact CD2-OE2 3.62Å; H52-E87 IonicContact CE1-OE1 3.48Å; H52-E87 PolarHBondContact CE1-OE1 2.72Å; H52-E87 IonicContact NE2-OE1 2.78Å; H52-E87 PolarHBondContact NE2-OE1 3.04Å; H52-E87 IonicContact NE2-OE2 3.15Å; H52-E87 PolarHBondContact NE2-OE2 3.01Å; H52-E87 VanDerWaalsContact NE2-OE2 3.15Å; E83-E87 WeakPolarHBondContact O-CG 3.43Å; E83-E87 PolarHBondContact O-N 2.95Å; E87-E89 PolarHBondContact O-N 2.78Å; E87-E89 VanDerWaalsContact O-N 3.12Å; E87-N90 PolarHBondContact O-N 2.89Å; E87-N91 CarbonylContact O-C 3.58Å; E87-N91 VanDerWaalsContact O-CA 3.28Å; E87-N91 WeakPolarHBondContact O-CA 3.4Å; E87-N91 PolarHBondContact O-N 2.71Å; E87-P92 VanDerWaalsContact O-N 3.16Å
88I90.7Very high83.8Confident3 Ų371.4 Ų71.42%0.01536%0.359CS..Hα-helixtrans-61.4-25.6-178.5-166.9161.6000112.8L14 P26 F49 Y65 G84 L85L14-I88 HydrophobicContact CB-CD1 4.2Å; L14-I88 HydrophobicContact CB-CG1 4.37Å; L14-I88 HydrophobicContact CD1-CG1 4.01Å; L14-I88 HydrophobicContact CD2-CD1 4.43Å; L14-I88 HydrophobicContact CD2-CG1 4.03Å; L14-I88 HydrophobicContact CG-CG1 4.36Å; P26-I88 HydrophobicContact CB-CB 4.35Å; P26-I88 HydrophobicContact CB-CD1 3.97Å; P26-I88 HydrophobicContact CB-CG2 4.11Å; F49-I88 HydrophobicContact CD2-CB 3.75Å; F49-I88 HydrophobicContact CD2-CD1 3.9Å; F49-I88 HydrophobicContact CD2-CG1 3.96Å; F49-I88 HydrophobicContact CE2-CB 3.88Å; F49-I88 HydrophobicContact CE2-CD1 3.8Å; F49-I88 HydrophobicContact CE2-CG1 3.67Å; F49-I88 HydrophobicContact CG-CB 4.33Å; F49-I88 HydrophobicContact CZ-CG1 4.44Å; Y65-I88 HydrophobicContact CD2-CD1 3.46Å; Y65-I88 VanDerWaalsContact CD2-CD1 3.46Å; Y65-I88 HydrophobicContact CD2-CG1 4.22Å; Y65-I88 HydrophobicContact CE2-CD1 3.77Å; Y65-I88 HydrophobicContact CE2-CG1 4.15Å; Y65-I88 HydrophobicContact CE2-CG2 3.75Å; Y65-I88 HydrophobicContact CG-CD1 3.94Å; G84-I88 WeakPolarHBondContact O-CG2 3.38Å; G84-I88 PolarHBondContact O-N 3.15Å; L85-I88 VanDerWaalsContact O-CG2 3.3Å; L85-I88 WeakPolarHBondContact O-CG2 3.15Å
89E90.3Very high82Confident102 Ų10267.9 Ų67.948%0.47735%0.347SS..Hα-helixtrans-90.7-42.4177.2-66.6-169.3150.200113.2Y65 K69 W86 E87Y65-E89 VanDerWaalsContact OH-CG 3.29Å; Y65-E89 WeakPolarHBondContact OH-CG 3.42Å; Y65-E89 PolarHBondContact OH-OE1 2.95Å; K69-E89 WeakPolarHBondContact CE-OE1 3.44Å; K69-E89 IonicContact NZ-OE1 2.7Å; K69-E89 PolarHBondContact NZ-OE1 2.95Å; W86-E89 PolarHBondContact O-N 2.74Å; E87-E89 PolarHBondContact O-N 2.78Å; E87-E89 VanDerWaalsContact O-N 3.12Å
90N90.8Very high80Confident96 Ų9664.9 Ų64.951%0.51334%0.336SS..Hα-helixtrans-102.3-29.6-168.8-64.4-86.9000113.1W86 E87W86-N90 HydrophobicContact CD2-CB 4.2Å; W86-N90 HydrophobicContact CE3-CB 4.44Å; W86-N90 HydrophobicContact CH2-CB 4.14Å; W86-N90 HydrophobicContact CZ2-CB 3.86Å; W86-N90 HydrophobicContact CZ3-CB 4.42Å; W86-N90 PolarHBondContact NE1-ND2 3.2Å; W86-N90 WeakPolarHBondContact O-CB 3.47Å; W86-N90 PolarHBondContact O-N 3.48Å; W86-N90 PolarHBondContact O-ND2 3.05Å; E87-N90 PolarHBondContact O-N 2.89Å
91N85.8Confident78Confident75 Ų7566.5 Ų66.540%0.40135%0.347SS..  trans-140.461.9-179.5-167.410.5000112.3E87 G93 V94E87-N91 CarbonylContact O-C 3.58Å; E87-N91 VanDerWaalsContact O-CA 3.28Å; E87-N91 WeakPolarHBondContact O-CA 3.4Å; E87-N91 PolarHBondContact O-N 2.71Å; N91-G93 PolarHBondContact O-N 2.79Å; N91-V94 WeakPolarHBondContact O-CG1 3.43Å; N91-V94 PolarHBondContact O-N 3.3Å
92P80.8Confident75.8Confident57 Ų5771.2 Ų71.237%0.3737%0.371SS..THydrogen-bonded Turntrans-65.1-13.1-178.127.3-35.6000113.1L14 R28 E87L14-P92 HydrophobicContact CD1-CB 4.41Å; L14-P92 HydrophobicContact CD2-CB 4.14Å; R28-P92 PolarHBondContact NH1-O 3.19Å; E87-P92 VanDerWaalsContact O-N 3.16Å
93G75Confident73.6Confident47 Ų4772.1 Ų72.149%0.48537%0.373SS..THydrogen-bonded Turntrans-90.1-0.2-179.400000115.5N91 K95N91-G93 PolarHBondContact O-N 2.79Å; G93-K95 WeakPolarHBondContact O-CG 3.27Å; G93-K95 PolarHBondContact O-N 3.24Å
94V79.2Confident71.3Confident29 Ų2973.9 Ų73.918%0.17638%0.381CS..  trans-60.6108.2-179.161.50000111R28 F47 F49 N91R28-V94 PolarHBondContact NH1-O 3.17Å; R28-V94 PolarHBondContact NH2-O 3.2Å; F47-V94 HydrophobicContact CE1-CG1 4.08Å; F47-V94 WeakPolarHBondContact CE1-O 3.28Å; F47-V94 HydrophobicContact CZ-CG1 4.42Å; F49-V94 HydrophobicContact CD1-CG1 3.77Å; F49-V94 HydrophobicContact CE1-CG1 3.75Å; N91-V94 WeakPolarHBondContact O-CG1 3.43Å; N91-V94 PolarHBondContact O-N 3.3Å
95K71.7Confident68.8Low154 Ų15481.1 Ų81.167%0.6742%0.415SS*.  trans-91.9137.2-177.2-63.7-164.6179.4-172.70111.5G93 T97G93-K95 WeakPolarHBondContact O-CG 3.27Å; G93-K95 PolarHBondContact O-N 3.24Å; K95-T97 PolarHBondContact O-N 3.03Å
96F62.7Low66.2Low72 Ų7284.7 Ų84.732%0.31644%0.442SS..  trans-66.4112.8162.9-165.6-125000108.3F47 H52 T54 G98 Y99F47-F96 HydrophobicContact CD2-CB 3.88Å; F47-F96 HydrophobicContact CE2-CB 3.56Å; F47-F96 HydrophobicContact CE2-CG 4.39Å; H52-F96 HydrophobicContact CB-CD2 4.02Å; H52-F96 VanDerWaalsContact O-CD2 3.27Å; H52-F96 WeakPolarHBondContact O-CD2 3.42Å; T54-F96 HydrophobicContact CG2-CD1 4.17Å; F96-G98 PolarHBondContact O-N 3.32Å; F96-Y99 HydrophobicContact CD1-CD2 4.46Å
97T58Low63.4Low123 Ų12381.6 Ų81.676%0.75545%0.445SS*.THydrogen-bonded Turntrans-73.8-7.1174.552.20000112.6K95 Y99 Q100K95-T97 PolarHBondContact O-N 3.03Å; T97-Y99 PolarHBondContact O-N 3.35Å; T97-Q100 PolarHBondContact O-N 3.17Å
98G53.6Low60.7Low11 Ų1185.2 Ų85.211%0.11347%0.472CS..THydrogen-bonded Turntrans-75.3-10.6-172.400000116.6F96 Q100 A101 I102F96-G98 PolarHBondContact O-N 3.32Å; G98-Q100 PolarHBondContact O-N 3.05Å; G98-A101 PolarHBondContact O-N 3.25Å; G98-I102 PolarHBondContact O-N 3.35Å; G98-I102 VanDerWaalsContact O-N 3.17Å
99Y51.2Low58Low56 Ų5693.6 Ų93.622%0.2251%0.511CS..Hα-helixtrans-59.2-30.7169.3-82.9-77.6000111.9L32 T54 F96 T97 Q103L32-Y99 HydrophobicContact CD1-CE1 4.19Å; T54-Y99 HydrophobicContact CG2-CE2 3.8Å; F96-Y99 HydrophobicContact CD1-CD2 4.46Å; T97-Y99 PolarHBondContact O-N 3.35Å; Y99-Q103 WeakPolarHBondContact O-CG 3.38Å; Y99-Q103 PolarHBondContact O-N 3.31Å
100Q48.4Very low55.4Low137 Ų13794.5 Ų94.564%0.6452%0.524SS*.Hα-helixtrans-72.6-30.4175.3-62.8-71.338.800112.7T97 G98 Q104T97-Q100 PolarHBondContact O-N 3.17Å; G98-Q100 PolarHBondContact O-N 3.05Å; Q100-Q104 WeakPolarHBondContact O-CG 3.39Å; Q100-Q104 PolarHBondContact O-N 3.12Å
101A47.1Very low52.8Low52 Ų5298.8 Ų98.843%0.4354%0.54SS..Hα-helixtrans-74.4-38.517900000111.7G98 Q104 Q105G98-A101 PolarHBondContact O-N 3.25Å; A101-Q104 PolarHBondContact O-N 3.36Å; A101-Q105 PolarHBondContact O-N 3.3Å
102I48Very low50.3Low100 Ų10098.7 Ų98.751%0.51356%0.558SS.*Hα-helixtrans-71.1-36.3-179.8-60.7160.7000111.3G98 Q104 Q105 S106G98-I102 PolarHBondContact O-N 3.35Å; G98-I102 VanDerWaalsContact O-N 3.17Å; I102-Q104 VanDerWaalsContact C-N 3.29Å; I102-Q104 PolarHBondContact O-N 3.25Å; I102-Q105 PolarHBondContact O-N 3.42Å; I102-S106 PolarHBondContact O-N 3.41Å
103Q46.7Very low48.3Very low97 Ų97106 Ų10645%0.45359%0.587SS.*Hα-helixtrans-62.7-34.4173.5-73.3-8554.200112.2Y99 S107Y99-Q103 WeakPolarHBondContact O-CG 3.38Å; Y99-Q103 PolarHBondContact O-N 3.31Å; Q103-S107 PolarHBondContact O-OG 3.44Å; Q103-S107 VanDerWaalsContact O-OG 3.12Å
104Q44.5Very low46.3Very low144 Ų144107.2 Ų107.267%0.67360%0.599SS**Hα-helixtrans-74.9-22.4179.1-72.118015.500113.7Q100 A101 I102Q100-Q104 WeakPolarHBondContact O-CG 3.39Å; Q100-Q104 PolarHBondContact O-N 3.12Å; A101-Q104 PolarHBondContact O-N 3.36Å; I102-Q104 VanDerWaalsContact C-N 3.29Å; I102-Q104 PolarHBondContact O-N 3.25Å
105Q41.1Very low44.2Very low151 Ų151109 Ų10971%0.70662%0.623SS**Hα-helixtrans-90.6-19.3178.1-61.6-167.8-72.400113.2A101 I102A101-Q105 PolarHBondContact O-N 3.3Å; I102-Q105 PolarHBondContact O-N 3.42Å
106S38.4Very low42.7Very low99 Ų99109.6 Ų109.669%0.69263%0.633SS**THydrogen-bonded Turntrans-87.7-0.8-179.8-169.60000114I102I102-S106 PolarHBondContact O-N 3.41Å
107S34.3Very low41.6Very low95 Ų95112.8 Ų112.866%0.66466%0.659SS**THydrogen-bonded Turntrans-122.128.1-173.654.20000114.6Q103Q103-S107 PolarHBondContact O-OG 3.44Å; Q103-S107 VanDerWaalsContact O-OG 3.12Å
108S36.7Very low40.4Very low89 Ų89111.3 Ų111.362%0.62266%0.659SS**  trans-148.868.1173.748.50000112.1
109E34.7Very low39.6Very low180 Ų180118.4 Ų118.484%0.84170%0.695SS**  trans-133.357169.7-43.8-129.8125.800111.4
110T34.7Very low38.8Very low121 Ų121119.8 Ų119.874%0.74272%0.717SS**  trans-164130.8155.958.60000103.9
111E35.4Very low38.3Very low185 Ų185118.1 Ų118.186%0.86472%0.721SS**  cis-164.9161.137.6-15.6-14887.200109.6
112G33.7Very low38Very low74 Ų74120.1 Ų120.176%0.76373%0.732SS**  trans90.992138.600000120.4
113E40.1Very low37.5Very low211 Ų211124 Ų12499%0.98675%0.748SS**  40.2126.2117.4-155.8160.3108.300121
114G33.2Very low37.1Very low72 Ų72126.8 Ų126.874%0.74276%0.761SS**  trans149.3105.9146.200000117.2
115G34.3Very low36.8Very low65 Ų65128.2 Ų128.267%0.6777%0.768SS**  trans66.4134.5149.300000116.9
116N40.2Very low36.3Very low167 Ų167124.3 Ų124.389%0.89377%0.767SS**  -159.8131.762.5-60.9-35.3000110.5
117T38.6Very low36.1Very low140 Ų140126.5 Ų126.586%0.85977%0.771SS**  trans-74.9141.5165.250.10000111.5
118A34.6Very low36.3Very low92 Ų92132.4 Ų132.476%0.7678%0.779SS**  trans159.2103.113900000106.5
119D35.6Very low36.4Very low160 Ų160133.6 Ų133.686%0.85678%0.782SS**  76.5138.569.3-166.3-116.4000114.1
120A35.6Very low36.6Very low84 Ų84132.8 Ų132.869%0.69478%0.779SS**  trans82.9136.9170.900000118.3
121S37.1Very low36.7Very low103 Ų103134.6 Ų134.672%0.7278%0.779SS**  cis175.2164.2-11.5-178.80000106.7
122S40.5Very low36.9Very low94 Ų94132.7 Ų132.766%0.65777%0.774SS**  trans90.4107.1161.1-71.40000117.3
123E36.9Very low37Very low180 Ų180131.7 Ų131.784%0.84177%0.765SS**  65.4137.669.1-62.6-175.6146.100110.7
124E39Very low37.2Very low157 Ų157131.7 Ų131.773%0.73476%0.761SS**  cis-168135.717.7-131.7-140.390.100103.6
125E37.3Very low37.3Very low174 Ų174131.6 Ų131.681%0.81376%0.761SS**  81.8152.5108.7-73.5-111.9169.800119.4
126G32.4Very low37.9Very low68 Ų68138.9 Ų138.970%0.70177%0.774SS**  trans128.381.9177.400000113.1
127D33.1Very low38Very low145 Ų145142.4 Ų142.478%0.77577%0.774SS**  91.7104.976.6-166.158.7000113.9
128R38.1Very low38.2Very low219 Ų219145.3 Ų145.383%0.82678%0.775SS**  trans32.1134.8132.2-115.9169-171.4-115.8-0.6118.7
129V38.9Very low38.4Very low114 Ų114146.4 Ų146.469%0.69177%0.768SS**  171.6131.879171.40000109.2
130E39.7Very low38.2Very low164 Ų164146 Ų14677%0.76676%0.761SS**  trans47.3167.4141.5-44.9-90.2125.900121.8
131E37.2Very low38.6Very low158 Ų158151.3 Ų151.374%0.73877%0.769SS**  cis-166165.5-30.8171.6172.5133.100103.8
132D39.5Very low38.6Very low145 Ų145151.1 Ų151.178%0.77577%0.773SS**  trans103.4123.4157.5-140.2-88.6000113.3
133G35.4Very low38.5Very low54 Ų54149.9 Ų149.956%0.55778%0.776SS**  cis140.314619.800000107.6
134K44.7Very low39Very low210 Ų210147.6 Ų147.691%0.91378%0.779SS**  trans78.6113.9-174.5-67.2170.2166.7163.70115.6
135G34.1Very low39.4Very low71 Ų71149.4 Ų149.473%0.73279%0.785SS**  cis89.5982400000111.4
136K47.4Very low39.8Very low218 Ų218151.4 Ų151.495%0.94879%0.785SS**  -168.5125.4125.9-109.9175.5-179.2175.10112.6
137R41.7Very low40.4Very low240 Ų240156.8 Ų156.891%0.90679%0.789SS**  trans-77.6155.5171.9-56156.279.3173.16.3110
138K43Very low40.9Very low202 Ų202157.9 Ų157.988%0.87879%0.787SS**  trans145.4145.1143.4-97.9-167.1166.61800109.5
139N39.2Very low41Very low114 Ų114153 Ų15361%0.6179%0.786SS**  cis-168.2140-6.4-16439.9000106.9
140E32.3Very low41.1Very low151 Ų151155.9 Ų155.971%0.70679%0.786SS**  trans14.5121.9134.1-55.2-168.411200118.5
141K44.1Very low41.6Very low197 Ų197154.8 Ų154.886%0.85779%0.79SS**  73.911283.3-166.1177-176.81760113.9
142A36.8Very low41.9Very low99 Ų99152.4 Ų152.482%0.81879%0.791SS**  trans179.7126.7144.700000105.9
143G37.3Very low42.2Very low68 Ų68155.2 Ų155.270%0.70180%0.797SS**  cis87.290.634.200000109.7
144S48.8Very low42.5Very low132 Ų132161.5 Ų161.592%0.92381%0.809SS**  trans-172.8143.8145.5-93.20000114.9
145K46.3Very low42.5Very low195 Ų195156 Ų15685%0.84880%0.797SS**  trans-87.1172.9-170.9-66.9168.7171.5163.10113.3
146R46.6Very low43.3Very low216 Ų216158.6 Ų158.682%0.81580%0.803SS**  trans107.3144.6154.6-64.9161.658.4156-4.5112.9
147K44.1Very low43.1Very low180 Ų180157.7 Ų157.778%0.78380%0.8SS**  cis-160.2159.56.2-133.1-173.1-177.7-174.90109.2
148K44.4Very low43.3Very low169 Ų169155.6 Ų155.674%0.73580%0.8SS**  trans-53.4145.5171.4-174.9169.5-170.4167.30115.7Y150K148-Y150 HydrophobicContact CD-CD1 4.25Å; K148-Y150 HydrophobicContact CD-CE1 4.05Å; K148-Y150 HydrophobicContact CG-CD1 3.9Å; K148-Y150 HydrophobicContact CG-CE1 3.99Å
149S39.3Very low43.1Very low116 Ų116149.8 Ų149.881%0.81179%0.785SS**  trans-159.9123.1136.8490000112.5
150Y40.5Very low43.3Very low174 Ų174155.5 Ų155.568%0.68280%0.798SS**  trans-82.8141.7160.646.9-82000107K148K148-Y150 HydrophobicContact CD-CD1 4.25Å; K148-Y150 HydrophobicContact CD-CE1 4.05Å; K148-Y150 HydrophobicContact CG-CD1 3.9Å; K148-Y150 HydrophobicContact CG-CE1 3.99Å
151T49.9Very low43.7Very low141 Ų141157.6 Ų157.687%0.86580%0.804SS**  trans-157.4129.1137.654.30000110.3
152S44.6Very low43.5Very low108 Ų108153.5 Ų153.576%0.75580%0.801SS**  trans-73.9151.6167.150.50000112.7
153K46.3Very low44.4Very low205 Ų205155.2 Ų155.289%0.89180%0.804SS**  trans169.3147.1148.5-93.3159.7-169.1-1780107
154K40.3Very low44.3Very low186 Ų186155.1 Ų155.181%0.80980%0.803SS**  cis-170.6148.6-4.5172.5163.4177.7179.90107.4
155S45.3Very low44Very low94 Ų94155.8 Ų155.866%0.65780%0.796SS**  trans-27.6152.7168.659.30000121.2
156S51.2Low44Very low125 Ų125154.4 Ų154.487%0.87479%0.793SS**  -165138.6113.753.70000113
157K44Very low44Very low200 Ų200150.3 Ų150.387%0.8779%0.787SS**  trans-95.6144.3175-107.3174.4173.3173.10108.7
158Q45.9Very low44Very low196 Ų196147.5 Ų147.592%0.91678%0.78SS**  trans163.9148.7147.3-95.5167.8-24.200107.6
159S38.4Very low44.5Very low79 Ų79147.9 Ų147.955%0.55278%0.782SS**  cis170.1136.4-11.71550000107.1
160R42.6Very low44.7Very low234 Ų234149.1 Ų149.188%0.88378%0.779SS**  trans81.2119.5149.7-69.2163.6-165.2-178.20.2123.6
161K40.8Very low44.7Very low195 Ų195145 Ų14585%0.84878%0.775SS**  trans30.3119.5132.2-75.1-174.1171.9-170.80123.6
162S40.2Very low44.6Very low112 Ų112146.3 Ų146.378%0.78377%0.769SS**  49.3174.3122.8-41.70000122.7
163P56.5Low44.4Very low135 Ų135148.3 Ų148.388%0.87777%0.766SS**  -118.1177.7-92.436.6-17000114.5
164G33.9Very low44.2Very low66 Ų66145.1 Ų145.168%0.6875%0.754SS**  trans161.7112.1169.100000110.2
165D42.5Very low44.5Very low145 Ų145142.4 Ų142.478%0.77574%0.744SS**  84.7122.383.8-86.6-49.8000113.9
166E46Very low44.1Very low167 Ų167146 Ų14678%0.7876%0.756SS**  trans50.6140.7144.6-58.7178.6171.400118.5
167D46.5Very low43.8Very low130 Ų130148.1 Ų148.170%0.69575%0.75SS**  cis-171.2174.715.1-133.6-50.1000109.3
168D45Very low43.5Very low121 Ų121143.6 Ų143.665%0.64774%0.744SS**  trans81.8112.2146.7-112.4-63.7000122.3
169K54.3Low43.2Very low177 Ų177139 Ų13977%0.7773%0.733SS**  151.8105.4114.6-71.6-109.7175.1162.20110.6
170D43.7Very low43.4Very low141 Ų141139.6 Ų139.675%0.75474%0.737SS**  78.2128.787.9-161.670.4000111.3
171C40.4Very low43.3Very low87 Ų87137.6 Ų137.659%0.58874%0.738SS**  cis-170.9160.7-5.1-124.50000109.8
172K47.7Very low43.2Very low169 Ų169132.4 Ų132.474%0.73574%0.74SS**  trans74125.2144.7-70.9175.6177.1174.90121.2
173E40.4Very low43.3Very low150 Ų150131.1 Ų131.170%0.70174%0.744SS**  62.3135.972.9-104.2-167.5108.900110.9
174E42.6Very low42.7Very low138 Ų138132.5 Ų132.565%0.64574%0.744SS**  cis-159.9168.323.3-103.1-69.710400107.8
175E45.7Very low43.5Very low129 Ų129133.6 Ų133.660%0.60375%0.747SS**  trans-48.2156.6171.6-58.2-171.892.200115.3
176N37.2Very low43.5Very low169 Ų169130.5 Ų130.590%0.90475%0.749SS**  -156.9130.9127.5-101.6-58.9000112.3
177K46.3Very low43.8Very low171 Ų171129.8 Ų129.874%0.74375%0.75SS**  trans-67.9155.7170.2-68.8177.8169.971.80110.9
178S37.4Very low43.6Very low105 Ų105129.2 Ų129.273%0.73475%0.747SS**  157.7135.2113.1-158.50000112.7
179S40Very low44Very low98 Ų98129.8 Ų129.869%0.68576%0.755SS**  trans31141.8141.163.30000120.1
180S41.5Very low43.8Very low93 Ų93130.6 Ų130.665%0.6575%0.754SS**  cis175152.627.330.40000108.3
181E41.4Very low43.6Very low192 Ų192131 Ų13190%0.89776%0.755SS**  trans63.3123.8142-64.4-177.5138.800122.9
182G38.7Very low43.5Very low86 Ų86132 Ų13289%0.88776%0.76SS**  88.5103.2124.700000118.6
183G41.1Very low43.2Very low84 Ų84129.3 Ų129.387%0.86676%0.757SS**  trans-168.299.5166.600000112.7
184D45.1Very low43.4Very low165 Ų165127 Ų12788%0.88276%0.758SS**  trans-75.7140.1170.4177-93.8000111.2
185A49.5Very low43.4Very low89 Ų89126.7 Ų126.774%0.73676%0.76SS**  trans170.1126.5140.100000109.9
186G42.9Very low43.5Very low80 Ų80126.7 Ų126.783%0.82576%0.764SS**  trans-72.9172.3-171.700000116.6
187N51.6Low44Very low151 Ų151127.5 Ų127.581%0.80776%0.762SS**  trans-147.9117.5146.1-170.612.6000109.2
188D43.5Very low44.1Very low118 Ų118128.8 Ų128.863%0.63177%0.768SS**  trans-49132.3163.2-73.4-96.2000111.7R190D188-R190 IonicContact OD1-NE 3.91Å
189T52.3Low44.6Very low133 Ų133129.6 Ų129.682%0.81677%0.768SS**  trans-136.293.6148.2-46.40000108
190R51.8Low45.2Very low195 Ų195129.7 Ų129.774%0.73677%0.769SS**  trans-74.2161.6165.6-55179.6176.3174.2-3.7109.4D188D188-R190 IonicContact OD1-NE 3.91Å
191N38.2Very low45.4Very low148 Ų148133.2 Ų133.279%0.79178%0.776SS**  trans78.1133.9158.3-70.239.3000114.4
192T38.1Very low45.5Very low110 Ų110127.6 Ų127.668%0.67577%0.769SS**  cis-169.612032.6-105.30000105.9
193T41.7Very low46Very low112 Ų112131.4 Ų131.469%0.68776%0.761SS**  51141.1109.3-172.40000118
194S43.8Very low46.2Very low102 Ų102134.8 Ų134.871%0.71376%0.756SS**  trans81.9139.7155.7-62.70000115.8
195D44.6Very low46.2Very low131 Ų131134.4 Ų134.470%0.70175%0.754SS**  cis-168.6164-0-175.6-114.3000106.8
196L47.4Very low46Very low129 Ų129140.7 Ų140.768%0.67576%0.758SS**  trans-51153-178.3-65.778.8000113.9
197Q47.7Very low46.6Very low185 Ų185142.6 Ų142.686%0.86475%0.754SS**  -162.2130.6115.6-103.5162104.200113.3
198K47.1Very low46.7Very low198 Ų198142.5 Ų142.586%0.86175%0.752SS**  trans-103.8115.2-176.4-162.8162.4-179.3178.60104.6
199T48.2Very low47.5Very low122 Ų122143.8 Ų143.875%0.74876%0.757SS**  trans-121.990.9169.851.80000106.9
200S52.4Low47.6Very low101 Ų101146.1 Ų146.171%0.70676%0.759SS**  49.882.799.462.60000113.7G202S200-G202 PolarHBondContact O-N 3.28Å
201E46.3Very low47.9Very low167 Ų167144 Ų14478%0.7876%0.761SS**  24.982.9128.2-51.6-169134.300117.1K203E201-K203 PolarHBondContact O-N 3.41Å
202G44.3Very low48.9Very low74 Ų74147.9 Ų147.976%0.76378%0.782SS**  trans-79.285.7158.700000110.4S200 M204S200-G202 PolarHBondContact O-N 3.28Å; G202-M204 PolarHBondContact O-N 3.18Å
203K47.4Very low49.4Very low166 Ų166149.8 Ų149.872%0.72279%0.787SS**  trans-66.799.1166.9-66.7175.2-176.9177.50108E201 L205E201-K203 PolarHBondContact O-N 3.41Å; K203-L205 PolarHBondContact O-N 3.37Å
204M46.4Very low49.8Very low154 Ų154151.8 Ų151.876%0.75979%0.792SS**  trans-69.895.9170.6-64.9-84.9-84.300107.5G202 W206G202-M204 PolarHBondContact O-N 3.18Å; M204-W206 PolarHBondContact O-N 3.06Å
205L44.2Very low50.2Low158 Ų158154.6 Ų154.683%0.82780%0.797SS**  trans-61.6112.8163.9-88.598.5000107.8K203 T207K203-L205 PolarHBondContact O-N 3.37Å; L205-T207 PolarHBondContact O-N 3.01Å
206W47Very low50.5Low221 Ų221155.9 Ų155.984%0.83780%0.802SS**  trans-83.2103.5163.2-66.781.3000107M204 I208M204-W206 PolarHBondContact O-N 3.06Å; W206-I208 PolarHBondContact O-N 3.19Å
207T54.4Low50.7Low120 Ų120157.6 Ų157.674%0.73681%0.81SS**  trans-58.1121168.1-61.10000109.1L205 I209L205-T207 PolarHBondContact O-N 3.01Å; T207-I209 PolarHBondContact O-N 3.25Å
208I55Low50.9Low149 Ų149155.8 Ų155.876%0.76481%0.806SS**  trans-64.4121.2167.8-67.4163000107.2W206W206-I208 PolarHBondContact O-N 3.19Å
209I60.2Low51.1Low144 Ų144152.8 Ų152.874%0.73880%0.803SS**  trans-95.5106165.6-64.1172.7000106T207 I211T207-I209 PolarHBondContact O-N 3.25Å; I209-I211 HydrophobicContact CG2-CG1 4.14Å
210E53.9Low51.4Low182 Ų182155.2 Ų155.285%0.8581%0.807SS**  trans-65.7128.4160.8-118157.7122.400108.4
211I58.2Low51.3Low152 Ų152159.7 Ų159.778%0.77982%0.815SS**  trans-114.2117166-63.9178000105.2I209I209-I211 HydrophobicContact CG2-CG1 4.14Å
212D58.2Low51.7Low229 Ų229159 Ų159100%1.22582%0.818SS**  trans-670164-167.3-107.4000110.6

Retrieved 212 of 212 residues in 172.9 ms (Link to these results)

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