A0A087XGA2_POEFO Loading...

HDGF like 3

AlphaFold DB , UniProt , Accession A0A087XGA2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 207 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
1M47.9Very low68.6Low234 Ų234140.1 Ų140.1100%1.15370%0.696SS**  0138.90-6667177.600108.6
2A48.1Very low70.5Confident100 Ų100132.7 Ų132.783%0.82668%0.682SS**PPolyproline II helixtrans-67.9133.616900000109.6
3R53.6Low72.3Confident236 Ų236127.4 Ų127.489%0.89166%0.655SS**PPolyproline II helixtrans-72131.3164.7-62.8-175.2-177.4-148.80.7106.9R5R3-R5 PolarHBondContact O-N 3.26Å
4P60Low73.9Confident125 Ų125121.9 Ų121.981%0.81263%0.628SS**PPolyproline II helixtrans-57.6130.2173.125-32.8000108.3
5R56.2Low75.3Confident226 Ų226113.8 Ų113.885%0.85359%0.586SS**PPolyproline II helixtrans-59.8143.4176.8-67.6-131.3-75166.3-6.1108.7R3 R7R3-R5 PolarHBondContact O-N 3.26Å; R5-R7 PolarHBondContact O-N 3.01Å
6P62.4Low76.6Confident115 Ų115106.7 Ų106.775%0.74755%0.549SS*.PPolyproline II helixtrans-52.4116.9170-22.733.1000108.5E8P6-E8 PolarHBondContact O-N 3.28Å
7R72.5Confident77.7Confident128 Ų128100.4 Ų100.448%0.48352%0.517SS..  trans-77.5109.8167.8-78.2-160.1-175.9-169.115107R5 Y9 P64 D67R5-R7 PolarHBondContact O-N 3.01Å; R7-Y9 HydrophobicContact CB-CE1 4.42Å; R7-Y9 HydrophobicContact CB-CE2 4.13Å; R7-Y9 WeakPolarHBondContact O-CD2 3.4Å; R7-P64 VanDerWaalsContact CZ-CG 3.5Å; R7-D67 IonicContact CZ-OD2 2.87Å; R7-D67 IonicContact NH1-OD2 2.97Å; R7-D67 PolarHBondContact NH1-OD2 3.34Å; R7-D67 IonicContact NH2-OD1 2.65Å; R7-D67 IonicContact NH2-OD2 3.28Å; R7-D67 PolarHBondContact NH2-OD2 2.8Å
8E84.6Confident78.7Confident159 Ų15998.6 Ų98.674%0.74350%0.504SS*.  trans-63.4139.4155.1-67.7166.7-15000108P6P6-E8 PolarHBondContact O-N 3.28Å
9Y88.8Confident79.5Confident21 Ų2196 Ų968%0.08249%0.491CS..  trans-120.8163.1175.6-65.6-79.4000110.6R7 D13 V15 I29 Y44 L62 P64R7-Y9 HydrophobicContact CB-CE1 4.42Å; R7-Y9 HydrophobicContact CB-CE2 4.13Å; R7-Y9 WeakPolarHBondContact O-CD2 3.4Å; Y9-D13 WeakPolarHBondContact CA-OD2 3.33Å; Y9-D13 HydrophobicContact CD1-CB 4.38Å; Y9-V15 HydrophobicContact CD1-CG1 4Å; Y9-V15 HydrophobicContact CE1-CG1 3.74Å; Y9-I29 HydrophobicContact CD1-CD1 3.95Å; Y9-I29 HydrophobicContact CD2-CD1 4.23Å; Y9-I29 HydrophobicContact CG-CD1 3.58Å; Y9-Y44 HydrophobicContact CD2-CE2 4.37Å; Y9-Y44 PolarHBondContact N-OH 2.83Å; Y9-Y44 VanDerWaalsContact O-CE1 3.25Å; Y9-Y44 WeakPolarHBondContact O-CE1 3.45Å; Y9-L62 HydrophobicContact CD2-CB 4.35Å; Y9-L62 HydrophobicContact CD2-CD1 4.12Å; Y9-L62 HydrophobicContact CE2-CB 3.68Å; Y9-L62 HydrophobicContact CE2-CD1 4.28Å; Y9-L62 PolarHBondContact OH-O 2.73Å; Y9-P64 HydrophobicContact CE1-CG 4.37Å; Y9-P64 WeakPolarHBondContact OH-CD 3.19Å
10K90.8Very high80.2Confident144 Ų144101.1 Ų101.163%0.62651%0.509SS*.  trans-128.6162-178.3-59-172-175.2-59.60111.3G12 D13 I29K10-G12 PolarHBondContact O-N 3.33Å; K10-D13 PolarHBondContact N-OD2 3.38Å; K10-D13 VanDerWaalsContact O-CB 3.32Å; K10-D13 WeakPolarHBondContact O-CB 3.44Å; K10-D13 PolarHBondContact O-N 2.97Å; K10-D13 VanDerWaalsContact O-N 3.13Å; K10-I29 WeakPolarHBondContact O-CG2 3.22Å
11A90.1Very high80.9Confident53 Ų5398.8 Ų98.844%0.43851%0.511SS..THydrogen-bonded Turntrans-57.3138169.400000110.4D13 E31A11-D13 VanDerWaalsContact C-N 3.34Å; A11-E31 HydrophobicContact CB-CB 3.76Å; A11-E31 HydrophobicContact CB-CG 4.09Å
12G90.9Very high83.1Confident51 Ų5192.4 Ų92.453%0.52648%0.475SS..THydrogen-bonded Turntrans86-11.1-17300000115.4K10 L14 I29K10-G12 PolarHBondContact O-N 3.33Å; G12-L14 PolarHBondContact O-N 3.34Å; G12-I29 PolarHBondContact N-O 3.42Å
13D93.8Very high85.3Confident64 Ų6489.1 Ų89.134%0.34245%0.445SS..  trans-64.7126.1177.9-86.4-29.4000111.5Y9 K10 A11 R28 I29Y9-D13 WeakPolarHBondContact CA-OD2 3.33Å; Y9-D13 HydrophobicContact CD1-CB 4.38Å; K10-D13 PolarHBondContact N-OD2 3.38Å; K10-D13 VanDerWaalsContact O-CB 3.32Å; K10-D13 WeakPolarHBondContact O-CB 3.44Å; K10-D13 PolarHBondContact O-N 2.97Å; K10-D13 VanDerWaalsContact O-N 3.13Å; A11-D13 VanDerWaalsContact C-N 3.34Å; D13-R28 CarbonylContact O-C 3.59Å; D13-R28 VanDerWaalsContact O-CA 3.32Å; D13-R28 WeakPolarHBondContact O-CA 3.2Å; D13-I29 HydrophobicContact CB-CD1 4.2Å; D13-I29 PolarHBondContact O-N 3.35Å
14L94.5Very high87.3Confident51 Ų5180 Ų8027%0.26741%0.412SS..EExtended strand (participates in β ladder)trans-81.8125.8175.4-56.5-173.9000110.3G12 R28 F49 Y65 I88 P92G12-L14 PolarHBondContact O-N 3.34Å; L14-R28 HydrophobicContact CD2-CB 3.87Å; L14-F49 HydrophobicContact CD2-CE2 4.2Å; L14-F49 HydrophobicContact CD2-CZ 4.18Å; L14-Y65 VanDerWaalsContact C-CB 3.46Å; L14-Y65 HydrophobicContact CB-CD1 4.42Å; L14-Y65 HydrophobicContact CB-CG 4.31Å; L14-Y65 WeakPolarHBondContact O-CB 3.27Å; L14-Y65 PolarHBondContact O-N 2.89Å; L14-I88 HydrophobicContact CB-CD1 4.27Å; L14-I88 HydrophobicContact CB-CG1 4.35Å; L14-I88 HydrophobicContact CD1-CG1 4.07Å; L14-I88 HydrophobicContact CD2-CG1 4.19Å; L14-I88 HydrophobicContact CG-CG1 4.43Å; L14-P92 HydrophobicContact CD1-CB 4.26Å; L14-P92 HydrophobicContact CD2-CB 4Å
15V95.6Very high89.1Confident0 Ų074.5 Ų74.50%038%0.375CS..EExtended strand (participates in β ladder)trans-139.1156.1-171.7-68.80000112Y9 A27 I29 L62 L63Y9-V15 HydrophobicContact CD1-CG1 4Å; Y9-V15 HydrophobicContact CE1-CG1 3.74Å; V15-A27 HydrophobicContact CG2-CB 4.11Å; V15-A27 PolarHBondContact N-O 3.48Å; V15-A27 CarbonylContact O-C 3.5Å; V15-A27 WeakPolarHBondContact O-CA 3.4Å; V15-A27 PolarHBondContact O-N 2.82Å; V15-I29 HydrophobicContact CG1-CD1 4.04Å; V15-I29 HydrophobicContact CG2-CD1 4.42Å; V15-I29 HydrophobicContact CG2-CG1 4.11Å; V15-L62 HydrophobicContact CG2-CD2 4.4Å; V15-L63 CarbonylContact C-O 3.43Å; V15-L63 WeakPolarHBondContact CA-O 3.34Å; V15-L63 WeakPolarHBondContact CB-O 3.03Å
16F95.8Very high91Very high0 Ų063.7 Ų63.70%034%0.335CS..EExtended strand (participates in β ladder)trans-93114.9156.2-73.5-77.9000109H24 W25 P26 L63 Y65 F72 L85F16-H24 HydrophobicContact CB-CB 4.13Å; F16-H24 HydrophobicContact CD1-CB 4.4Å; F16-W25 CarbonylContact C-O 3.55Å; F16-W25 VanDerWaalsContact CA-O 3.31Å; F16-W25 WeakPolarHBondContact CA-O 3.32Å; F16-P26 HydrophobicContact CE1-CB 4.43Å; F16-L63 HydrophobicContact CB-CB 4.37Å; F16-L63 PolarHBondContact N-O 3.12Å; F16-L63 PolarHBondContact O-N 2.8Å; F16-Y65 HydrophobicContact CD2-CD2 4.1Å; F16-Y65 HydrophobicContact CE1-CD2 4.33Å; F16-Y65 AromaticContact CE2-CD2 3.37Å; F16-Y65 HydrophobicContact CE2-CD2 3.37Å; F16-Y65 AromaticContact CE2-CE2 3.97Å; F16-Y65 HydrophobicContact CE2-CE2 3.97Å; F16-Y65 HydrophobicContact CE2-CG 4.15Å; F16-Y65 AromaticContact CZ-CD2 3.52Å; F16-Y65 HydrophobicContact CZ-CD2 3.52Å; F16-Y65 AromaticContact CZ-CE2 3.71Å; F16-Y65 HydrophobicContact CZ-CE2 3.71Å; F16-F72 HydrophobicContact CD1-CB 3.86Å; F16-F72 HydrophobicContact CD2-CB 4.3Å; F16-F72 HydrophobicContact CE1-CB 3.82Å; F16-F72 HydrophobicContact CE2-CB 4.27Å; F16-F72 HydrophobicContact CG-CB 4.11Å; F16-F72 HydrophobicContact CG-CD2 4.44Å; F16-F72 HydrophobicContact CZ-CB 4.04Å; F16-L85 HydrophobicContact CE1-CD2 4.22Å
17A96.2Very high92.6Very high0 Ų058.2 Ų58.20%030%0.299CS..EExtended strand (participates in β ladder)trans-91.2138.7178.100000111.3W25 A27 I46 F48 L57 L62A17-W25 PolarHBondContact N-O 2.77Å; A17-W25 PolarHBondContact O-N 3.27Å; A17-A27 HydrophobicContact CB-CB 3.8Å; A17-I46 HydrophobicContact CB-CG2 3.83Å; A17-F48 HydrophobicContact CB-CD1 4.34Å; A17-F48 HydrophobicContact CB-CE1 3.5Å; A17-F48 VanDerWaalsContact CB-CE1 3.5Å; A17-F48 HydrophobicContact CB-CZ 4.02Å; A17-L57 HydrophobicContact CB-CD1 3.89Å; A17-L62 HydrophobicContact CB-CD2 3.97Å
18K95.3Very high93.6Very high67 Ų6752.7 Ų52.729%0.29128%0.278SS..EExtended strand (participates in β ladder)trans-112.7116.4-178.6-173.269.8-176.793.20111.7Y22 D61K18-Y22 PolarHBondContact NZ-O 3.41Å; K18-D61 WeakPolarHBondContact CB-O 3.39Å; K18-D61 PolarHBondContact N-O 3.18Å
19M93.8Very high94.1Very high50 Ų5045.2 Ų45.225%0.24624%0.243CC..  trans-115.9169.2169.167.1168.777.300112.2Y22 F48M19-Y22 HydrophobicContact CG-CD2 3.69Å; M19-Y22 HydrophobicContact CG-CG 3.83Å; M19-Y22 HydrophobicContact SD-CD1 4.29Å; M19-Y22 HydrophobicContact SD-CD2 3.47Å; M19-Y22 WeakPolarHBondContact SD-CD2 3.46Å; M19-Y22 HydrophobicContact SD-CE2 3.84Å; M19-Y22 HydrophobicContact SD-CG 3.75Å; M19-F48 HydrophobicContact CE-CD1 4.18Å; M19-F48 HydrophobicContact CE-CD2 4.32Å; M19-F48 HydrophobicContact CE-CE1 3.55Å; M19-F48 HydrophobicContact CE-CE2 3.75Å; M19-F48 HydrophobicContact CE-CZ 3.32Å
20K93.8Very high94.1Very high198 Ų19845.2 Ų45.286%0.86125%0.245SC*.THydrogen-bonded Turntrans-75.5123.2-177.3-179.660.7162.459.50110.8Y22K20-Y22 WeakPolarHBondContact O-CD2 3.25Å
21G93.8Very high93.9Very high53 Ų5345.2 Ų45.255%0.54625%0.247SC..THydrogen-bonded Turntrans91.4-5.9177.900000116.2R78G21-R78 PolarHBondContact O-NH2 3.33Å; G21-R78 VanDerWaalsContact O-NH2 3.08Å
22Y93.6Very high93.2Very high99 Ų9944.5 Ų44.539%0.38824%0.236SC..SBendtrans-115.3160.2-179.8-65.9-106.6000111K18 M19 K20 W25K18-Y22 PolarHBondContact NZ-O 3.41Å; M19-Y22 HydrophobicContact CG-CD2 3.69Å; M19-Y22 HydrophobicContact CG-CG 3.83Å; M19-Y22 HydrophobicContact SD-CD1 4.29Å; M19-Y22 HydrophobicContact SD-CD2 3.47Å; M19-Y22 WeakPolarHBondContact SD-CD2 3.46Å; M19-Y22 HydrophobicContact SD-CE2 3.84Å; M19-Y22 HydrophobicContact SD-CG 3.75Å; K20-Y22 WeakPolarHBondContact O-CD2 3.25Å; Y22-W25 HydrophobicContact CD1-CE3 4.13Å; Y22-W25 AromaticContact CD1-CZ3 3.83Å; Y22-W25 HydrophobicContact CD1-CZ3 3.83Å
23P94.8Very high92.1Very high31 Ų3145.4 Ų45.420%0.20123%0.232CC..  trans-61.6179.916728.5-36.9000112.3W25 F81P23-W25 HydrophobicContact CG-CE3 3.95Å; P23-W25 HydrophobicContact CG-CZ3 4.2Å; P23-W25 PolarHBondContact O-N 2.74Å; P23-F81 HydrophobicContact CB-CE2 3.9Å; P23-F81 HydrophobicContact CG-CD2 3.7Å; P23-F81 HydrophobicContact CG-CE2 3.48Å; P23-F81 VanDerWaalsContact CG-CE2 3.48Å; P23-F81 HydrophobicContact CG-CZ 4.45Å
24H96.4Very high90.5Very high45 Ų4551.4 Ų51.421%0.20826%0.258CS..EExtended strand (participates in β ladder)trans-70.1111162.7-70.4103.7000108F16 F72 F81F16-H24 HydrophobicContact CB-CB 4.13Å; F16-H24 HydrophobicContact CD1-CB 4.4Å; H24-F72 HydrophobicContact CB-CB 3.92Å; H24-F72 HydrophobicContact CB-CD1 4.13Å; H24-F72 HydrophobicContact CB-CD2 3.7Å; H24-F72 HydrophobicContact CB-CE2 4.28Å; H24-F72 HydrophobicContact CB-CG 3.64Å; H24-F72 AromaticContact CD2-CE2 3.92Å; H24-F72 AromaticContact CE1-CE1 3.72Å; H24-F72 AromaticContact CE1-CE2 3.62Å; H24-F72 AromaticContact CE1-CZ 3.29Å; H24-F72 WeakPolarHBondContact CE1-CZ 3.41Å; H24-F72 AromaticContact CG-CD2 3.63Å; H24-F72 AromaticContact CG-CE2 3.68Å; H24-F72 AromaticContact CG-CG 3.86Å; H24-F72 AromaticContact CG-CZ 3.96Å; H24-F72 AromaticContact ND1-CD1 3.55Å; H24-F72 AromaticContact ND1-CD2 3.75Å; H24-F72 AromaticContact ND1-CE1 3.28Å; H24-F72 VanDerWaalsContact ND1-CE1 3.28Å; H24-F72 WeakPolarHBondContact ND1-CE1 3.4Å; H24-F72 AromaticContact ND1-CE2 3.48Å; H24-F72 WeakPolarHBondContact ND1-CE2 3.24Å; H24-F72 AromaticContact ND1-CG 3.81Å; H24-F72 AromaticContact ND1-CZ 3.25Å; H24-F72 VanDerWaalsContact ND1-CZ 3.25Å; H24-F72 WeakPolarHBondContact ND1-CZ 3.18Å; H24-F72 AromaticContact NE2-CE2 3.91Å; H24-F81 VanDerWaalsContact O-CE2 3.24Å; H24-F81 WeakPolarHBondContact O-CE2 3.32Å; H24-F81 WeakPolarHBondContact O-CZ 3.35Å
25W96.8Very high88.8Confident9 Ų952.9 Ų52.93%0.03429%0.286CS..EExtended strand (participates in β ladder)trans-97.1135.7-167.9-156-78.3000111.6F16 A17 Y22 P23 A27 F48 F49 T51 R78 K79 F81F16-W25 CarbonylContact C-O 3.55Å; F16-W25 VanDerWaalsContact CA-O 3.31Å; F16-W25 WeakPolarHBondContact CA-O 3.32Å; A17-W25 PolarHBondContact N-O 2.77Å; A17-W25 PolarHBondContact O-N 3.27Å; Y22-W25 HydrophobicContact CD1-CE3 4.13Å; Y22-W25 AromaticContact CD1-CZ3 3.83Å; Y22-W25 HydrophobicContact CD1-CZ3 3.83Å; P23-W25 HydrophobicContact CG-CE3 3.95Å; P23-W25 HydrophobicContact CG-CZ3 4.2Å; P23-W25 PolarHBondContact O-N 2.74Å; W25-A27 PolarHBondContact O-N 3.13Å; W25-F48 HydrophobicContact CB-CD1 3.91Å; W25-F48 HydrophobicContact CB-CE1 4.19Å; W25-F48 AromaticContact CD1-CD1 3.73Å; W25-F48 AromaticContact CG-CD1 3.91Å; W25-F48 HydrophobicContact CG-CD1 3.91Å; W25-F49 PolarHBondContact NE1-O 2.95Å; W25-T51 HydrophobicContact CH2-CG2 4.4Å; W25-T51 HydrophobicContact CZ2-CG2 3.74Å; W25-R78 HydrophobicContact CH2-CB 3.83Å; W25-R78 HydrophobicContact CZ3-CB 3.87Å; W25-R78 HydrophobicContact CZ3-CG 4.14Å; W25-K79 VanDerWaalsContact CH2-O 3.26Å; W25-K79 WeakPolarHBondContact CH2-O 3.43Å; W25-F81 AromaticContact CD2-CD2 3.75Å; W25-F81 HydrophobicContact CD2-CD2 3.75Å; W25-F81 HydrophobicContact CD2-CE2 4.31Å; W25-F81 AromaticContact CE3-CD2 3.62Å; W25-F81 HydrophobicContact CE3-CD2 3.62Å; W25-F81 HydrophobicContact CE3-CE2 4.23Å; W25-F81 HydrophobicContact CG-CD2 4.34Å; W25-F81 HydrophobicContact CH2-CB 3.93Å; W25-F81 HydrophobicContact CH2-CD2 4.19Å; W25-F81 HydrophobicContact CZ2-CB 3.98Å; W25-F81 HydrophobicContact CZ2-CD2 4.29Å; W25-F81 HydrophobicContact CZ3-CB 4.36Å; W25-F81 AromaticContact CZ3-CD2 3.85Å; W25-F81 HydrophobicContact CZ3-CD2 3.85Å
26P95.9Very high87Confident0 Ų054.2 Ų54.20%030%0.297CS..EExtended strand (participates in β ladder)trans-62.4123.3174.925.9-34.2000110.7F16 F49 G84 L85 I88F16-P26 HydrophobicContact CE1-CB 4.43Å; P26-F49 PolarHBondContact O-N 2.78Å; P26-G84 VanDerWaalsContact CG-C 3.49Å; P26-L85 HydrophobicContact CB-CD2 4.09Å; P26-L85 HydrophobicContact CG-CD2 4Å; P26-L85 HydrophobicContact CG-CG 4.3Å; P26-I88 HydrophobicContact CB-CB 4.32Å; P26-I88 HydrophobicContact CB-CD1 3.9Å; P26-I88 HydrophobicContact CB-CG2 4.07Å
27A96.4Very high85.4Confident0 Ų061 Ų610%034%0.338CS..EExtended strand (participates in β ladder)trans-145.3165.2-174.400000111.3V15 A17 W25 I46 F47 F48 I88V15-A27 HydrophobicContact CG2-CB 4.11Å; V15-A27 PolarHBondContact N-O 3.48Å; V15-A27 CarbonylContact O-C 3.5Å; V15-A27 WeakPolarHBondContact O-CA 3.4Å; V15-A27 PolarHBondContact O-N 2.82Å; A17-A27 HydrophobicContact CB-CB 3.8Å; W25-A27 PolarHBondContact O-N 3.13Å; A27-I46 HydrophobicContact CB-CG2 3.65Å; A27-F47 CarbonylContact C-O 3.54Å; A27-F47 WeakPolarHBondContact CA-O 2.79Å; A27-F47 WeakPolarHBondContact CB-O 3.32Å; A27-F48 HydrophobicContact CB-CD1 4.25Å; A27-I88 WeakPolarHBondContact O-CD1 3.14Å
28R95.1Very high83.9Confident11 Ų1169.6 Ų69.64%0.04238%0.376CS..EExtended strand (participates in β ladder)trans-120.1161.9159.569.7162.5-179.2-86.4-19.1110D13 L14 D30 F47 F49 P92 V94D13-R28 CarbonylContact O-C 3.59Å; D13-R28 VanDerWaalsContact O-CA 3.32Å; D13-R28 WeakPolarHBondContact O-CA 3.2Å; L14-R28 HydrophobicContact CD2-CB 3.87Å; R28-D30 IonicContact CZ-OD2 3.52Å; R28-D30 VanDerWaalsContact CZ-OD2 3.28Å; R28-D30 IonicContact NE-OD2 3.2Å; R28-D30 PolarHBondContact NE-OD2 2.9Å; R28-D30 IonicContact NH2-OD2 3.19Å; R28-D30 PolarHBondContact NH2-OD2 3.4Å; R28-F47 HydrophobicContact CG-CB 3.91Å; R28-F47 HydrophobicContact CG-CD1 4.09Å; R28-F47 HydrophobicContact CG-CG 4.32Å; R28-F47 PolarHBondContact N-O 3.48Å; R28-F47 PolarHBondContact O-N 3.41Å; R28-F49 HydrophobicContact CB-CE2 3.89Å; R28-F49 HydrophobicContact CB-CZ 3.9Å; R28-F49 HydrophobicContact CG-CE2 4.28Å; R28-F49 HydrophobicContact CG-CZ 3.96Å; R28-P92 PolarHBondContact NH1-O 3.39Å; R28-V94 VanDerWaalsContact CZ-O 3.24Å; R28-V94 PolarHBondContact NH1-O 2.74Å; R28-V94 PolarHBondContact NH2-O 2.74Å
29I93.3Very high82.5Confident2 Ų268.9 Ų68.91%0.0138%0.377CS..EExtended strand (participates in β ladder)trans-86.1122.9163.7-66.8163.1000106.7Y9 K10 G12 D13 V15 Y44 P45 I46 L62Y9-I29 HydrophobicContact CD1-CD1 3.95Å; Y9-I29 HydrophobicContact CD2-CD1 4.23Å; Y9-I29 HydrophobicContact CG-CD1 3.58Å; K10-I29 WeakPolarHBondContact O-CG2 3.22Å; G12-I29 PolarHBondContact N-O 3.42Å; D13-I29 HydrophobicContact CB-CD1 4.2Å; D13-I29 PolarHBondContact O-N 3.35Å; V15-I29 HydrophobicContact CG1-CD1 4.04Å; V15-I29 HydrophobicContact CG2-CD1 4.42Å; V15-I29 HydrophobicContact CG2-CG1 4.11Å; I29-Y44 HydrophobicContact CG2-CD1 4.22Å; I29-Y44 HydrophobicContact CG2-CG 4.5Å; I29-P45 WeakPolarHBondContact CA-O 3.45Å; I29-I46 HydrophobicContact CD1-CD1 4.49Å; I29-I46 HydrophobicContact CG1-CD1 3.59Å; I29-L62 HydrophobicContact CD1-CD1 4Å; I29-L62 HydrophobicContact CG1-CD1 4.43Å
30D90.6Very high81.4Confident21 Ų2169.4 Ų69.411%0.11239%0.385CS..  trans-87.5174.4177.1-131.3-55.6000110.7R28 P45 F47R28-D30 IonicContact CZ-OD2 3.52Å; R28-D30 VanDerWaalsContact CZ-OD2 3.28Å; R28-D30 IonicContact NE-OD2 3.2Å; R28-D30 PolarHBondContact NE-OD2 2.9Å; R28-D30 IonicContact NH2-OD2 3.19Å; R28-D30 PolarHBondContact NH2-OD2 3.4Å; D30-P45 PolarHBondContact N-O 3.2Å; D30-P45 WeakPolarHBondContact O-CG 3.2Å; D30-F47 HydrophobicContact CB-CB 4.49Å
31E85.3Confident80.4Confident144 Ų14463.8 Ų63.867%0.67338%0.375SS*.PPolyproline II helixtrans-91.5127.5172.4-163.3167.5-173.800109.6A11A11-E31 HydrophobicContact CB-CB 3.76Å; A11-E31 HydrophobicContact CB-CG 4.09Å
32L75.3Confident79.8Confident39 Ų3968.3 Ų68.320%0.20439%0.387CS..PPolyproline II helixtrans-84.1131.2170.4-155.572.8000108.5E34 P39 P45 F56L32-E34 PolarHBondContact O-N 2.89Å; L32-P39 HydrophobicContact CD2-CB 3.66Å; L32-P39 HydrophobicContact CD2-CG 3.73Å; L32-P45 HydrophobicContact CB-CG 4.12Å; L32-P45 HydrophobicContact CD1-CB 4.16Å; L32-P45 HydrophobicContact CD1-CG 4.29Å; L32-F56 HydrophobicContact CD1-CE1 4Å; L32-F56 HydrophobicContact CD1-CZ 3.84Å; L32-F56 HydrophobicContact CD2-CE1 4.26Å
33P69.1Low79.6Confident69 Ų6968.3 Ų68.345%0.44839%0.389SS..PPolyproline II helixtrans-63.6119.4173.424.7-32.9000110.2G35 A36P33-G35 PolarHBondContact O-N 2.84Å; P33-A36 HydrophobicContact CG-CB 4.05Å; P33-A36 PolarHBondContact O-N 2.99Å
34E58.7Low79.4Confident190 Ų19069.5 Ų69.589%0.88839%0.39SS*.THydrogen-bonded Turntrans-62.5-2.7-173.4-163.961.3-15500114.6L32L32-E34 PolarHBondContact O-N 2.89Å
35G59.4Low79.2Confident82 Ų8268 Ų6885%0.84538%0.384SS*.THydrogen-bonded Turntrans-102.6-7.4173.100000115.6P33P33-G35 PolarHBondContact O-N 2.84Å
36A59.1Low79Confident29 Ų2967.6 Ų67.624%0.2438%0.382CS..SBendtrans-81.3165.1175.500000111.7P33 K38P33-A36 HydrophobicContact CG-CB 4.05Å; P33-A36 PolarHBondContact O-N 2.99Å; A36-K38 PolarHBondContact O-N 3.06Å; A36-K38 VanDerWaalsContact O-N 3.16Å
37V60.8Low78.9Confident142 Ų14267.6 Ų67.686%0.86138%0.383SS*.SBendtrans-47.5122.3-177.4179.80000111.2
38K65.6Low78.9Confident181 Ų18167.7 Ų67.779%0.78738%0.383SS*.  trans-40123.8-170.4-176-175.6-176.166.50112.2A36A36-K38 PolarHBondContact O-N 3.06Å; A36-K38 VanDerWaalsContact O-N 3.16Å
39P65.9Low78.9Confident51 Ų5167.2 Ų67.233%0.33138%0.381SS..PPolyproline II helixtrans-55.5143.9-178.312-23.7000112.2L32 A41L32-P39 HydrophobicContact CD2-CB 3.66Å; L32-P39 HydrophobicContact CD2-CG 3.73Å; P39-A41 PolarHBondContact O-N 3.42Å
40P71.1Confident78.9Confident61 Ų6167.5 Ų67.540%0.39639%0.385SS..PPolyproline II helixtrans-55.5118.3172.4-22.532.3000109.8N42 K43P40-N42 PolarHBondContact O-N 3.28Å; P40-K43 HydrophobicContact CB-CB 4.5Å; P40-K43 HydrophobicContact CB-CD 3.93Å; P40-K43 HydrophobicContact CB-CG 4.22Å; P40-K43 HydrophobicContact CG-CD 4.48Å; P40-K43 WeakPolarHBondContact O-CB 3.2Å; P40-K43 PolarHBondContact O-N 2.77Å
41A72.3Confident79Confident81 Ų8168.9 Ų68.967%0.66939%0.394SS*.THydrogen-bonded Turntrans-53.6133.2-169.400000112.1P39 K43P39-A41 PolarHBondContact O-N 3.42Å; A41-K43 VanDerWaalsContact C-N 3.34Å
42N81.1Confident79.4Confident147 Ų14764.4 Ų64.479%0.78637%0.373SS*.THydrogen-bonded Turntrans69.119.9-175.9-39-82.6000115.5P40P40-N42 PolarHBondContact O-N 3.28Å
43K88.9Confident80.2Confident100 Ų10067.6 Ų67.644%0.43539%0.387SS..EExtended strand (participates in β ladder)trans-113.8148.5165.8-55.5-168.9-168.4176.70111.8P40 A41 F56 L57P40-K43 HydrophobicContact CB-CB 4.5Å; P40-K43 HydrophobicContact CB-CD 3.93Å; P40-K43 HydrophobicContact CB-CG 4.22Å; P40-K43 HydrophobicContact CG-CD 4.48Å; P40-K43 WeakPolarHBondContact O-CB 3.2Å; P40-K43 PolarHBondContact O-N 2.77Å; A41-K43 VanDerWaalsContact C-N 3.34Å; K43-F56 HydrophobicContact CB-CB 4.1Å; K43-F56 HydrophobicContact CD-CB 3.82Å; K43-L57 CarbonylContact C-O 3.57Å; K43-L57 VanDerWaalsContact CA-O 3.32Å; K43-L57 WeakPolarHBondContact CA-O 3.47Å
44Y90.4Very high81.2Confident56 Ų5666.8 Ų66.822%0.2238%0.381CS..EExtended strand (participates in β ladder)trans-108.6143.8174-61.7-85.9000109.8Y9 I29 F56 L57 L62Y9-Y44 HydrophobicContact CD2-CE2 4.37Å; Y9-Y44 PolarHBondContact N-OH 2.83Å; Y9-Y44 VanDerWaalsContact O-CE1 3.25Å; Y9-Y44 WeakPolarHBondContact O-CE1 3.45Å; I29-Y44 HydrophobicContact CG2-CD1 4.22Å; I29-Y44 HydrophobicContact CG2-CG 4.5Å; Y44-F56 WeakPolarHBondContact O-CA 3.42Å; Y44-L57 PolarHBondContact N-O 2.8Å; Y44-L57 PolarHBondContact O-N 2.95Å; Y44-L57 VanDerWaalsContact O-N 3.12Å; Y44-L62 HydrophobicContact CD2-CD1 3.96Å; Y44-L62 HydrophobicContact CG-CD1 4.44Å
45P92.1Very high82.7Confident12 Ų1259.5 Ų59.58%0.07835%0.353CS..EExtended strand (participates in β ladder)trans-72.3125.3167.832.9-35.4000109.6I29 D30 L32 F56I29-P45 WeakPolarHBondContact CA-O 3.45Å; D30-P45 PolarHBondContact N-O 3.2Å; D30-P45 WeakPolarHBondContact O-CG 3.2Å; L32-P45 HydrophobicContact CB-CG 4.12Å; L32-P45 HydrophobicContact CD1-CB 4.16Å; L32-P45 HydrophobicContact CD1-CG 4.29Å; P45-F56 HydrophobicContact CB-CD1 4.38Å; P45-F56 HydrophobicContact CB-CE1 4.01Å
46I93.8Very high84.3Confident1 Ų159.3 Ų59.31%0.00533%0.329CS..EExtended strand (participates in β ladder)trans-112.3130-177.4-49.9-53.6000108.7A17 A27 I29 F48 T54 A55 L57 L62A17-I46 HydrophobicContact CB-CG2 3.83Å; A27-I46 HydrophobicContact CB-CG2 3.65Å; I29-I46 HydrophobicContact CD1-CD1 4.49Å; I29-I46 HydrophobicContact CG1-CD1 3.59Å; I46-F48 HydrophobicContact CB-CE2 4.35Å; I46-F48 HydrophobicContact CB-CZ 4.49Å; I46-F48 HydrophobicContact CG2-CE1 4.3Å; I46-F48 HydrophobicContact CG2-CE2 4.1Å; I46-F48 HydrophobicContact CG2-CZ 3.98Å; I46-T54 CarbonylContact O-C 3.55Å; I46-T54 WeakPolarHBondContact O-CA 3.35Å; I46-A55 WeakPolarHBondContact CB-O 3.49Å; I46-A55 PolarHBondContact N-O 2.81Å; I46-A55 PolarHBondContact O-N 2.88Å; I46-L57 HydrophobicContact CG1-CB 3.84Å; I46-L57 HydrophobicContact CG1-CD1 4.16Å; I46-L57 HydrophobicContact CG1-CG 4.11Å; I46-L62 HydrophobicContact CD1-CD1 3.71Å; I46-L62 HydrophobicContact CD1-CD2 3.53Å; I46-L62 HydrophobicContact CD1-CG 4.28Å; I46-L62 HydrophobicContact CG1-CD2 3.95Å
47F93.8Very high85.9Confident1 Ų159.2 Ų59.20%0.00432%0.324CS..EExtended strand (participates in β ladder)trans-100.7124.2169.4173.4-83.5000108.9A27 R28 D30 F49 H52 T54 V94 F96A27-F47 CarbonylContact C-O 3.54Å; A27-F47 WeakPolarHBondContact CA-O 2.79Å; A27-F47 WeakPolarHBondContact CB-O 3.32Å; R28-F47 HydrophobicContact CG-CB 3.91Å; R28-F47 HydrophobicContact CG-CD1 4.09Å; R28-F47 HydrophobicContact CG-CG 4.32Å; R28-F47 PolarHBondContact N-O 3.48Å; R28-F47 PolarHBondContact O-N 3.41Å; D30-F47 HydrophobicContact CB-CB 4.49Å; F47-F49 HydrophobicContact CD1-CD1 4.08Å; F47-F49 HydrophobicContact CD1-CE1 4.16Å; F47-F49 HydrophobicContact CD1-CG 4.35Å; F47-F49 AromaticContact CE1-CD1 3.54Å; F47-F49 HydrophobicContact CE1-CD1 3.54Å; F47-F49 AromaticContact CE1-CE1 3.84Å; F47-F49 HydrophobicContact CE1-CE1 3.84Å; F47-F49 HydrophobicContact CE1-CG 4.09Å; F47-H52 HydrophobicContact CE2-CB 4.11Å; F47-H52 HydrophobicContact CZ-CB 4.09Å; F47-H52 AromaticContact CZ-CD2 3.47Å; F47-H52 VanDerWaalsContact CZ-CD2 3.47Å; F47-H52 WeakPolarHBondContact CZ-CD2 3.29Å; F47-H52 AromaticContact CZ-CG 3.9Å; F47-T54 HydrophobicContact CD2-CG2 4.34Å; F47-V94 HydrophobicContact CE1-CG1 4.1Å; F47-V94 HydrophobicContact CZ-CG1 4.11Å; F47-V94 WeakPolarHBondContact CZ-O 3.13Å; F47-F96 HydrophobicContact CD2-CB 4.33Å; F47-F96 HydrophobicContact CE2-CB 3.75Å
48F95.1Very high87.4Confident2 Ų253 Ų531%0.00929%0.29CS..EExtended strand (participates in β ladder)trans-91.7119.8177.3-66.2-85.5000110.5A17 M19 W25 A27 I46 H52 E53 A55 L57A17-F48 HydrophobicContact CB-CD1 4.34Å; A17-F48 HydrophobicContact CB-CE1 3.5Å; A17-F48 VanDerWaalsContact CB-CE1 3.5Å; A17-F48 HydrophobicContact CB-CZ 4.02Å; M19-F48 HydrophobicContact CE-CD1 4.18Å; M19-F48 HydrophobicContact CE-CD2 4.32Å; M19-F48 HydrophobicContact CE-CE1 3.55Å; M19-F48 HydrophobicContact CE-CE2 3.75Å; M19-F48 HydrophobicContact CE-CZ 3.32Å; W25-F48 HydrophobicContact CB-CD1 3.91Å; W25-F48 HydrophobicContact CB-CE1 4.19Å; W25-F48 AromaticContact CD1-CD1 3.73Å; W25-F48 AromaticContact CG-CD1 3.91Å; W25-F48 HydrophobicContact CG-CD1 3.91Å; A27-F48 HydrophobicContact CB-CD1 4.25Å; I46-F48 HydrophobicContact CB-CE2 4.35Å; I46-F48 HydrophobicContact CB-CZ 4.49Å; I46-F48 HydrophobicContact CG2-CE1 4.3Å; I46-F48 HydrophobicContact CG2-CE2 4.1Å; I46-F48 HydrophobicContact CG2-CZ 3.98Å; F48-H52 WeakPolarHBondContact O-CA 3.25Å; F48-H52 PolarHBondContact O-N 3.31Å; F48-E53 HydrophobicContact CD2-CB 4.31Å; F48-E53 WeakPolarHBondContact CD2-O 3.48Å; F48-E53 PolarHBondContact N-O 3.18Å; F48-A55 HydrophobicContact CE2-CB 3.93Å; F48-L57 HydrophobicContact CZ-CD1 4.17Å
49F95.1Very high88.6Confident0 Ų046.8 Ų46.80%027%0.269CS..THydrogen-bonded Turntrans-67.5144.9175.6-66.8-75.7000110.6L14 W25 P26 R28 F47 T51 G84 E87 I88 P92 V94L14-F49 HydrophobicContact CD2-CE2 4.2Å; L14-F49 HydrophobicContact CD2-CZ 4.18Å; W25-F49 PolarHBondContact NE1-O 2.95Å; P26-F49 PolarHBondContact O-N 2.78Å; R28-F49 HydrophobicContact CB-CE2 3.89Å; R28-F49 HydrophobicContact CB-CZ 3.9Å; R28-F49 HydrophobicContact CG-CE2 4.28Å; R28-F49 HydrophobicContact CG-CZ 3.96Å; F47-F49 HydrophobicContact CD1-CD1 4.08Å; F47-F49 HydrophobicContact CD1-CE1 4.16Å; F47-F49 HydrophobicContact CD1-CG 4.35Å; F47-F49 AromaticContact CE1-CD1 3.54Å; F47-F49 HydrophobicContact CE1-CD1 3.54Å; F47-F49 AromaticContact CE1-CE1 3.84Å; F47-F49 HydrophobicContact CE1-CE1 3.84Å; F47-F49 HydrophobicContact CE1-CG 4.09Å; F49-T51 PolarHBondContact O-N 2.94Å; F49-T51 VanDerWaalsContact O-N 3.13Å; F49-G84 VanDerWaalsContact C-CA 3.47Å; F49-G84 VanDerWaalsContact CB-CA 3.45Å; F49-G84 WeakPolarHBondContact CB-O 3.38Å; F49-E87 WeakPolarHBondContact CA-OE2 3.21Å; F49-E87 HydrophobicContact CB-CB 4.11Å; F49-E87 WeakPolarHBondContact CB-OE2 3.35Å; F49-E87 HydrophobicContact CD1-CB 3.69Å; F49-E87 HydrophobicContact CE1-CB 4.48Å; F49-E87 HydrophobicContact CG-CB 4.18Å; F49-I88 HydrophobicContact CD2-CB 3.72Å; F49-I88 HydrophobicContact CD2-CD1 3.83Å; F49-I88 HydrophobicContact CD2-CG1 3.89Å; F49-I88 HydrophobicContact CE2-CB 3.83Å; F49-I88 HydrophobicContact CE2-CD1 3.72Å; F49-I88 HydrophobicContact CE2-CG1 3.58Å; F49-I88 HydrophobicContact CG-CB 4.29Å; F49-I88 HydrophobicContact CZ-CB 4.46Å; F49-I88 HydrophobicContact CZ-CG1 4.33Å; F49-P92 HydrophobicContact CZ-CB 4.4Å; F49-P92 WeakPolarHBondContact CZ-O 3.39Å; F49-V94 HydrophobicContact CD1-CG1 3.78Å; F49-V94 HydrophobicContact CE1-CG1 3.82Å
50G94.4Very high89.8Confident9 Ų952.8 Ų52.89%0.09329%0.289CS..THydrogen-bonded Turntrans69.7-6.517900000117.2G80 E87G50-G80 WeakPolarHBondContact CA-O 3.43Å; G50-G80 WeakPolarHBondContact O-CA 3.42Å; G50-E87 PolarHBondContact N-OE2 2.96Å
51T92.6Very high90.9Very high50 Ų5052 Ų5231%0.30728%0.282SS..THydrogen-bonded Turntrans-115.4-17.3157.466.60000112.7W25 F49 E53W25-T51 HydrophobicContact CH2-CG2 4.4Å; W25-T51 HydrophobicContact CZ2-CG2 3.74Å; F49-T51 PolarHBondContact O-N 2.94Å; F49-T51 VanDerWaalsContact O-N 3.13Å; T51-E53 WeakPolarHBondContact CB-OE2 3.28Å; T51-E53 PolarHBondContact O-N 2.95Å; T51-E53 WeakPolarHBondContact OG1-CG 3.31Å; T51-E53 PolarHBondContact OG1-OE2 2.83Å
52H92.8Very high91.9Very high50 Ų5048.2 Ų48.223%0.23125%0.25CS..  trans56.313.3-175.4-54.8164.8000113.9F47 F48 E87 F96F47-H52 HydrophobicContact CE2-CB 4.11Å; F47-H52 HydrophobicContact CZ-CB 4.09Å; F47-H52 AromaticContact CZ-CD2 3.47Å; F47-H52 VanDerWaalsContact CZ-CD2 3.47Å; F47-H52 WeakPolarHBondContact CZ-CD2 3.29Å; F47-H52 AromaticContact CZ-CG 3.9Å; F48-H52 WeakPolarHBondContact O-CA 3.25Å; F48-H52 PolarHBondContact O-N 3.31Å; H52-E87 IonicContact CD2-OE1 3.48Å; H52-E87 IonicContact CD2-OE2 2.76Å; H52-E87 IonicContact CE1-OE1 2.58Å; H52-E87 PolarHBondContact CE1-OE1 3.15Å; H52-E87 IonicContact NE2-OE1 3.92Å; H52-E87 PolarHBondContact NE2-OE1 2.82Å; H52-E87 IonicContact NE2-OE2 3.66Å; H52-E87 PolarHBondContact NE2-OE2 3.32Å; H52-F96 HydrophobicContact CB-CB 4.22Å; H52-F96 HydrophobicContact CB-CD2 3.8Å; H52-F96 HydrophobicContact CB-CG 4.35Å
53E91.9Very high92.5Very high106 Ų10643 Ų4350%0.49522%0.223SC..  trans-65.1157.5171.6-69.5172.7101.700110.9F48 T51F48-E53 HydrophobicContact CD2-CB 4.31Å; F48-E53 WeakPolarHBondContact CD2-O 3.48Å; F48-E53 PolarHBondContact N-O 3.18Å; T51-E53 WeakPolarHBondContact CB-OE2 3.28Å; T51-E53 PolarHBondContact O-N 2.95Å; T51-E53 WeakPolarHBondContact OG1-CG 3.31Å; T51-E53 PolarHBondContact OG1-OE2 2.83Å
54T90.1Very high92.7Very high51 Ų5139 Ų3931%0.31321%0.206SC..EExtended strand (participates in β ladder)trans-135.8132.1-175.860.20000111.5I46 F47 Y99I46-T54 CarbonylContact O-C 3.55Å; I46-T54 WeakPolarHBondContact O-CA 3.35Å; F47-T54 HydrophobicContact CD2-CG2 4.34Å; T54-Y99 WeakPolarHBondContact CB-OH 3.44Å; T54-Y99 HydrophobicContact CG2-CD2 4.2Å; T54-Y99 HydrophobicContact CG2-CE2 3.49Å; T54-Y99 VanDerWaalsContact CG2-CE2 3.49Å
55A91.5Very high92.8Very high37 Ų3737 Ų3731%0.30620%0.199SC..EExtended strand (participates in β ladder)trans-147.7160.3179.600000113.2I46 F48I46-A55 WeakPolarHBondContact CB-O 3.49Å; I46-A55 PolarHBondContact N-O 2.81Å; I46-A55 PolarHBondContact O-N 2.88Å; F48-A55 HydrophobicContact CE2-CB 3.93Å
56F91.4Very high92.8Very high79 Ų7945.6 Ų45.635%0.34624%0.235SC..EExtended strand (participates in β ladder)trans-96.1111.9176.1-69.4-88.3000111.8L32 K43 Y44 P45L32-F56 HydrophobicContact CD1-CE1 4Å; L32-F56 HydrophobicContact CD1-CZ 3.84Å; L32-F56 HydrophobicContact CD2-CE1 4.26Å; K43-F56 HydrophobicContact CB-CB 4.1Å; K43-F56 HydrophobicContact CD-CB 3.82Å; Y44-F56 WeakPolarHBondContact O-CA 3.42Å; P45-F56 HydrophobicContact CB-CD1 4.38Å; P45-F56 HydrophobicContact CB-CE1 4.01Å
57L92.8Very high92.7Very high26 Ų2649.7 Ų49.714%0.13626%0.257CS..EExtended strand (participates in β ladder)trans-117.5152.1177.1-67179000111.8A17 K43 Y44 I46 F48 D61 L62A17-L57 HydrophobicContact CB-CD1 3.89Å; K43-L57 CarbonylContact C-O 3.57Å; K43-L57 VanDerWaalsContact CA-O 3.32Å; K43-L57 WeakPolarHBondContact CA-O 3.47Å; Y44-L57 PolarHBondContact N-O 2.8Å; Y44-L57 PolarHBondContact O-N 2.95Å; Y44-L57 VanDerWaalsContact O-N 3.12Å; I46-L57 HydrophobicContact CG1-CB 3.84Å; I46-L57 HydrophobicContact CG1-CD1 4.16Å; I46-L57 HydrophobicContact CG1-CG 4.11Å; F48-L57 HydrophobicContact CZ-CD1 4.17Å; L57-D61 HydrophobicContact CB-CB 4.32Å; L57-D61 HydrophobicContact CD1-CB 4.36Å; L57-D61 HydrophobicContact CD2-CB 4.37Å; L57-L62 HydrophobicContact CB-CD2 4.06Å; L57-L62 HydrophobicContact CB-CG 4.48Å; L57-L62 HydrophobicContact CD1-CD2 4.07Å
58G92.2Very high92.6Very high13 Ų1353.3 Ų53.313%0.13427%0.271CS..EExtended strand (participates in β ladder)trans-86.8158.6172.800000111.6K60 D61G58-K60 PolarHBondContact O-N 2.8Å; G58-D61 PolarHBondContact O-N 3Å
59S91.4Very high92.4Very high50 Ų5057.1 Ų57.135%0.3529%0.287SS..G310 helixtrans-54.4-22.8-179.650.80000115D61 L62S59-D61 VanDerWaalsContact C-N 3.27Å; S59-D61 PolarHBondContact O-N 2.86Å; S59-L62 PolarHBondContact O-N 2.88Å
60K91.1Very high92.2Very high176 Ų17663.6 Ų63.677%0.76532%0.322SS*.G310 helixtrans-63.1-27.4172.968.9168.9-162.8173.80114.2G58G58-K60 PolarHBondContact O-N 2.8Å
61D93.8Very high92.1Very high44 Ų4469 Ų6924%0.23534%0.343CS..G310 helixtrans-101.24.7-174.6-58.2-54.2000111.2K18 L57 G58 S59K18-D61 WeakPolarHBondContact CB-O 3.39Å; K18-D61 PolarHBondContact N-O 3.18Å; L57-D61 HydrophobicContact CB-CB 4.32Å; L57-D61 HydrophobicContact CD1-CB 4.36Å; L57-D61 HydrophobicContact CD2-CB 4.37Å; G58-D61 PolarHBondContact O-N 3Å; S59-D61 VanDerWaalsContact C-N 3.27Å; S59-D61 PolarHBondContact O-N 2.86Å
62L93.5Very high92Very high2 Ų269.4 Ų69.41%0.0134%0.34CS..EExtended strand (participates in β ladder)trans-117.5125-175.8-55.6175.5000109Y9 V15 A17 I29 Y44 I46 L57 S59Y9-L62 HydrophobicContact CD2-CB 4.35Å; Y9-L62 HydrophobicContact CD2-CD1 4.12Å; Y9-L62 HydrophobicContact CE2-CB 3.68Å; Y9-L62 HydrophobicContact CE2-CD1 4.28Å; Y9-L62 PolarHBondContact OH-O 2.73Å; V15-L62 HydrophobicContact CG2-CD2 4.4Å; A17-L62 HydrophobicContact CB-CD2 3.97Å; I29-L62 HydrophobicContact CD1-CD1 4Å; I29-L62 HydrophobicContact CG1-CD1 4.43Å; Y44-L62 HydrophobicContact CD2-CD1 3.96Å; Y44-L62 HydrophobicContact CG-CD1 4.44Å; I46-L62 HydrophobicContact CD1-CD1 3.71Å; I46-L62 HydrophobicContact CD1-CD2 3.53Å; I46-L62 HydrophobicContact CD1-CG 4.28Å; I46-L62 HydrophobicContact CG1-CD2 3.95Å; L57-L62 HydrophobicContact CB-CD2 4.06Å; L57-L62 HydrophobicContact CB-CG 4.48Å; L57-L62 HydrophobicContact CD1-CD2 4.07Å; S59-L62 PolarHBondContact O-N 2.88Å
63L93.2Very high91.9Very high39 Ų3968.3 Ų68.320%0.20434%0.343CS..EExtended strand (participates in β ladder)trans-113.4139.5174.7-60.5179.4000109.3V15 F16 Y65 Y68 F72V15-L63 CarbonylContact C-O 3.43Å; V15-L63 WeakPolarHBondContact CA-O 3.34Å; V15-L63 WeakPolarHBondContact CB-O 3.03Å; F16-L63 HydrophobicContact CB-CB 4.37Å; F16-L63 PolarHBondContact N-O 3.12Å; F16-L63 PolarHBondContact O-N 2.8Å; L63-Y65 PolarHBondContact O-N 2.96Å; L63-Y68 HydrophobicContact CB-CD2 3.91Å; L63-Y68 HydrophobicContact CB-CE2 4.2Å; L63-Y68 HydrophobicContact CB-CG 4.2Å; L63-Y68 HydrophobicContact CD1-CD1 4.11Å; L63-Y68 HydrophobicContact CD1-CE1 4.09Å; L63-Y68 HydrophobicContact CD1-CG 4.38Å; L63-Y68 HydrophobicContact CD2-CE2 4.25Å; L63-F72 HydrophobicContact CD1-CD2 4.32Å; L63-F72 HydrophobicContact CD1-CE2 3.63Å
64P94.2Very high91.9Very high14 Ų1469.5 Ų69.59%0.09135%0.346CS..EExtended strand (participates in β ladder)trans-64.5132.4-179.9-15.727.5000111.3R7 Y9 K66 D67 Y68R7-P64 VanDerWaalsContact CZ-CG 3.5Å; Y9-P64 HydrophobicContact CE1-CG 4.37Å; Y9-P64 WeakPolarHBondContact OH-CD 3.19Å; P64-K66 PolarHBondContact O-N 2.74Å; P64-D67 HydrophobicContact CB-CB 4.15Å; P64-D67 WeakPolarHBondContact CB-OD2 3.16Å; P64-D67 HydrophobicContact CG-CB 4.42Å; P64-D67 WeakPolarHBondContact CG-OD2 3.46Å; P64-D67 PolarHBondContact O-N 2.65Å; P64-Y68 PolarHBondContact O-N 2.84Å
65Y93Very high91.9Very high16 Ų1672 Ų726%0.06337%0.366CS..Hα-helixtrans-60.2-46.4-177.8171-95.6000111.6L14 F16 L63 D67 Y68 K69 I88 E89L14-Y65 VanDerWaalsContact C-CB 3.46Å; L14-Y65 HydrophobicContact CB-CD1 4.42Å; L14-Y65 HydrophobicContact CB-CG 4.31Å; L14-Y65 WeakPolarHBondContact O-CB 3.27Å; L14-Y65 PolarHBondContact O-N 2.89Å; F16-Y65 HydrophobicContact CD2-CD2 4.1Å; F16-Y65 HydrophobicContact CE1-CD2 4.33Å; F16-Y65 AromaticContact CE2-CD2 3.37Å; F16-Y65 HydrophobicContact CE2-CD2 3.37Å; F16-Y65 AromaticContact CE2-CE2 3.97Å; F16-Y65 HydrophobicContact CE2-CE2 3.97Å; F16-Y65 HydrophobicContact CE2-CG 4.15Å; F16-Y65 AromaticContact CZ-CD2 3.52Å; F16-Y65 HydrophobicContact CZ-CD2 3.52Å; F16-Y65 AromaticContact CZ-CE2 3.71Å; F16-Y65 HydrophobicContact CZ-CE2 3.71Å; L63-Y65 PolarHBondContact O-N 2.96Å; Y65-D67 PolarHBondContact O-N 2.87Å; Y65-Y68 CarbonylContact O-C 3.59Å; Y65-Y68 PolarHBondContact O-N 3.16Å; Y65-K69 HydrophobicContact CE1-CB 4.49Å; Y65-K69 HydrophobicContact CE1-CD 4.05Å; Y65-K69 HydrophobicContact CE1-CG 4.43Å; Y65-K69 HydrophobicContact CE2-CG 4.31Å; Y65-K69 WeakPolarHBondContact O-CB 3.32Å; Y65-K69 PolarHBondContact O-N 2.94Å; Y65-K69 VanDerWaalsContact OH-CD 3.27Å; Y65-K69 WeakPolarHBondContact OH-CD 3.47Å; Y65-K69 WeakPolarHBondContact OH-CE 3.49Å; Y65-K69 PolarHBondContact OH-NZ 2.74Å; Y65-I88 HydrophobicContact CD2-CD1 3.49Å; Y65-I88 VanDerWaalsContact CD2-CD1 3.49Å; Y65-I88 HydrophobicContact CD2-CG1 4.16Å; Y65-I88 HydrophobicContact CD2-CG2 4.42Å; Y65-I88 HydrophobicContact CE2-CD1 3.9Å; Y65-I88 HydrophobicContact CE2-CG1 4.17Å; Y65-I88 HydrophobicContact CE2-CG2 3.69Å; Y65-I88 HydrophobicContact CG-CD1 3.94Å; Y65-I88 HydrophobicContact CG-CG1 4.46Å; Y65-E89 WeakPolarHBondContact OH-CG 3.47Å; Y65-E89 PolarHBondContact OH-OE1 2.74Å
66K91.1Very high91.9Very high192 Ų19273 Ų7384%0.83537%0.366SS*.Hα-helixtrans-57.9-43.1-179.3-64.8-177.8179.5178.60113.1P64 Y68P64-K66 PolarHBondContact O-N 2.74Å; K66-Y68 VanDerWaalsContact C-N 3.33Å; K66-Y68 PolarHBondContact O-N 3.48Å
67D91.6Very high91.9Very high86 Ų8679.5 Ų79.546%0.4639%0.394SS..Hα-helixtrans-75.1-19.2-178.2-65.8-75.4000113.5R7 P64 Y65R7-D67 IonicContact CZ-OD2 2.87Å; R7-D67 IonicContact NH1-OD2 2.97Å; R7-D67 PolarHBondContact NH1-OD2 3.34Å; R7-D67 IonicContact NH2-OD1 2.65Å; R7-D67 IonicContact NH2-OD2 3.28Å; R7-D67 PolarHBondContact NH2-OD2 2.8Å; P64-D67 HydrophobicContact CB-CB 4.15Å; P64-D67 WeakPolarHBondContact CB-OD2 3.16Å; P64-D67 HydrophobicContact CG-CB 4.42Å; P64-D67 WeakPolarHBondContact CG-OD2 3.46Å; P64-D67 PolarHBondContact O-N 2.65Å; Y65-D67 PolarHBondContact O-N 2.87Å
68Y91Very high91.9Very high77 Ų7784 Ų8430%0.30241%0.409SS..Hα-helixtrans-124.61.6-172.4-73.8-93.6000115.1L63 P64 Y65 K66 D70 K71 F72L63-Y68 HydrophobicContact CB-CD2 3.91Å; L63-Y68 HydrophobicContact CB-CE2 4.2Å; L63-Y68 HydrophobicContact CB-CG 4.2Å; L63-Y68 HydrophobicContact CD1-CD1 4.11Å; L63-Y68 HydrophobicContact CD1-CE1 4.09Å; L63-Y68 HydrophobicContact CD1-CG 4.38Å; L63-Y68 HydrophobicContact CD2-CE2 4.25Å; P64-Y68 PolarHBondContact O-N 2.84Å; Y65-Y68 CarbonylContact O-C 3.59Å; Y65-Y68 PolarHBondContact O-N 3.16Å; K66-Y68 VanDerWaalsContact C-N 3.33Å; K66-Y68 PolarHBondContact O-N 3.48Å; Y68-D70 VanDerWaalsContact C-N 3.3Å; Y68-D70 PolarHBondContact O-N 2.74Å; Y68-K71 HydrophobicContact CD1-CD 3.91Å; Y68-K71 HydrophobicContact CE1-CD 4.3Å; Y68-K71 PolarHBondContact O-N 3.35Å; Y68-F72 HydrophobicContact CD1-CD2 4.02Å; Y68-F72 AromaticContact CD1-CE2 3.5Å; Y68-F72 HydrophobicContact CD1-CE2 3.5Å; Y68-F72 HydrophobicContact CD1-CZ 4.36Å; Y68-F72 HydrophobicContact CE1-CE2 4.22Å; Y68-F72 HydrophobicContact CG-CD2 4.36Å; Y68-F72 HydrophobicContact CG-CE2 4.23Å; Y68-F72 PolarHBondContact O-N 2.91Å
69K91.6Very high91.9Very high82 Ų8293 Ų9336%0.35745%0.445SS..Hα-helixtrans-50.8-48178.1-177.9-179.8-177.8165.40112Y65 K71 G73 E89Y65-K69 HydrophobicContact CE1-CB 4.49Å; Y65-K69 HydrophobicContact CE1-CD 4.05Å; Y65-K69 HydrophobicContact CE1-CG 4.43Å; Y65-K69 HydrophobicContact CE2-CG 4.31Å; Y65-K69 WeakPolarHBondContact O-CB 3.32Å; Y65-K69 PolarHBondContact O-N 2.94Å; Y65-K69 VanDerWaalsContact OH-CD 3.27Å; Y65-K69 WeakPolarHBondContact OH-CD 3.47Å; Y65-K69 WeakPolarHBondContact OH-CE 3.49Å; Y65-K69 PolarHBondContact OH-NZ 2.74Å; K69-K71 PolarHBondContact O-N 2.95Å; K69-G73 WeakPolarHBondContact O-CA 3.43Å; K69-G73 PolarHBondContact O-N 3.3Å; K69-E89 WeakPolarHBondContact CE-OE1 3.26Å; K69-E89 IonicContact NZ-OE1 2.83Å; K69-E89 PolarHBondContact NZ-OE1 2.97Å; K69-E89 IonicContact NZ-OE2 2.74Å; K69-E89 PolarHBondContact NZ-OE2 3.19Å
70D91.6Very high92Very high136 Ų13691.1 Ų91.173%0.72743%0.434SS*.Hα-helixtrans-60.5-29.6179.3-170.5-93.6000113.3Y68 K74Y68-D70 VanDerWaalsContact C-N 3.3Å; Y68-D70 PolarHBondContact O-N 2.74Å; D70-K74 WeakPolarHBondContact O-CE 3.15Å; D70-K74 PolarHBondContact O-NZ 3Å
71K91.6Very high92.1Very high124 Ų12482.9 Ų82.954%0.53940%0.398SS..Hα-helixtrans-88.6-40.9-176.6-68168-176.3161.40112.7Y68 K69Y68-K71 HydrophobicContact CD1-CD 3.91Å; Y68-K71 HydrophobicContact CE1-CD 4.3Å; Y68-K71 PolarHBondContact O-N 3.35Å; K69-K71 PolarHBondContact O-N 2.95Å
72F91Very high92.2Very high57 Ų5784.3 Ų84.325%0.2541%0.406CS..Hα-helixtrans-120.8-10.2-170.7-55.7-43.4000115.3F16 H24 L63 Y68 K74F16-F72 HydrophobicContact CD1-CB 3.86Å; F16-F72 HydrophobicContact CD2-CB 4.3Å; F16-F72 HydrophobicContact CE1-CB 3.82Å; F16-F72 HydrophobicContact CE2-CB 4.27Å; F16-F72 HydrophobicContact CG-CB 4.11Å; F16-F72 HydrophobicContact CG-CD2 4.44Å; F16-F72 HydrophobicContact CZ-CB 4.04Å; H24-F72 HydrophobicContact CB-CB 3.92Å; H24-F72 HydrophobicContact CB-CD1 4.13Å; H24-F72 HydrophobicContact CB-CD2 3.7Å; H24-F72 HydrophobicContact CB-CE2 4.28Å; H24-F72 HydrophobicContact CB-CG 3.64Å; H24-F72 AromaticContact CD2-CE2 3.92Å; H24-F72 AromaticContact CE1-CE1 3.72Å; H24-F72 AromaticContact CE1-CE2 3.62Å; H24-F72 AromaticContact CE1-CZ 3.29Å; H24-F72 WeakPolarHBondContact CE1-CZ 3.41Å; H24-F72 AromaticContact CG-CD2 3.63Å; H24-F72 AromaticContact CG-CE2 3.68Å; H24-F72 AromaticContact CG-CG 3.86Å; H24-F72 AromaticContact CG-CZ 3.96Å; H24-F72 AromaticContact ND1-CD1 3.55Å; H24-F72 AromaticContact ND1-CD2 3.75Å; H24-F72 AromaticContact ND1-CE1 3.28Å; H24-F72 VanDerWaalsContact ND1-CE1 3.28Å; H24-F72 WeakPolarHBondContact ND1-CE1 3.4Å; H24-F72 AromaticContact ND1-CE2 3.48Å; H24-F72 WeakPolarHBondContact ND1-CE2 3.24Å; H24-F72 AromaticContact ND1-CG 3.81Å; H24-F72 AromaticContact ND1-CZ 3.25Å; H24-F72 VanDerWaalsContact ND1-CZ 3.25Å; H24-F72 WeakPolarHBondContact ND1-CZ 3.18Å; H24-F72 AromaticContact NE2-CE2 3.91Å; L63-F72 HydrophobicContact CD1-CD2 4.32Å; L63-F72 HydrophobicContact CD1-CE2 3.63Å; Y68-F72 HydrophobicContact CD1-CD2 4.02Å; Y68-F72 AromaticContact CD1-CE2 3.5Å; Y68-F72 HydrophobicContact CD1-CE2 3.5Å; Y68-F72 HydrophobicContact CD1-CZ 4.36Å; Y68-F72 HydrophobicContact CE1-CE2 4.22Å; Y68-F72 HydrophobicContact CG-CD2 4.36Å; Y68-F72 HydrophobicContact CG-CE2 4.23Å; Y68-F72 PolarHBondContact O-N 2.91Å; F72-K74 PolarHBondContact O-N 2.88Å
73G89.8Confident92.2Very high27 Ų2789.6 Ų89.628%0.27843%0.43SS..  trans-73.129170.200000114.1K69K69-G73 WeakPolarHBondContact O-CA 3.43Å; K69-G73 PolarHBondContact O-N 3.3Å
74K91.8Very high92.3Very high132 Ų13287.8 Ų87.857%0.57442%0.421SS*.SBendtrans-99.2137.2-179.4-54.6-170.4-173.7-166.60108.7D70 F72 F81D70-K74 WeakPolarHBondContact O-CE 3.15Å; D70-K74 PolarHBondContact O-NZ 3Å; F72-K74 PolarHBondContact O-N 2.88Å; K74-F81 WeakPolarHBondContact O-CE1 3.19Å
75S90.6Very high92.3Very high104 Ų10488 Ų8873%0.72742%0.421SS*.  trans-56.5143.4-177.354.30000112.3N82S75-N82 WeakPolarHBondContact CA-OD1 3.45Å; S75-N82 WeakPolarHBondContact CB-OD1 3.47Å
76N91.4Very high92.4Very high58 Ų5894.5 Ų94.531%0.3145%0.446SS..  trans-127.1160.8-172.6-154-73.6000111.5R78 F81 N82N76-R78 PolarHBondContact OD1-N 3.39Å; N76-F81 HydrophobicContact CB-CB 3.99Å; N76-F81 HydrophobicContact CB-CD1 3.27Å; N76-F81 HydrophobicContact CB-CD2 4.1Å; N76-F81 HydrophobicContact CB-CE1 3.67Å; N76-F81 HydrophobicContact CB-CE2 4.43Å; N76-F81 HydrophobicContact CB-CG 3.51Å; N76-F81 HydrophobicContact CB-CZ 4.25Å; N76-N82 PolarHBondContact N-OD1 2.99Å; N76-N82 PolarHBondContact O-ND2 2.85Å; N76-N82 PolarHBondContact O-OD1 2.96Å
77K92.7Very high92.6Very high214 Ų21486.1 Ų86.193%0.9341%0.409SS*.SBendtrans-900.7-178.7-133.9170.7-174.5174.60113.5
78R91.1Very high92.7Very high121 Ų12182.2 Ų82.246%0.45739%0.388SS..SBendtrans-78.1138.9170.3-66.6-66.3-164.4178.57.4110.3G21 W25 N76 F81G21-R78 PolarHBondContact O-NH2 3.33Å; G21-R78 VanDerWaalsContact O-NH2 3.08Å; W25-R78 HydrophobicContact CH2-CB 3.83Å; W25-R78 HydrophobicContact CZ3-CB 3.87Å; W25-R78 HydrophobicContact CZ3-CG 4.14Å; N76-R78 PolarHBondContact OD1-N 3.39Å; R78-F81 HydrophobicContact CB-CB 4.22Å; R78-F81 PolarHBondContact O-N 2.87Å
79K92.8Very high92.7Very high201 Ų20183.1 Ų83.187%0.87440%0.395SS*.THydrogen-bonded Turntrans-57.9151.3168.2-66.7-169.3175.3-169.80110.2W25 F81W25-K79 VanDerWaalsContact CH2-O 3.26Å; W25-K79 WeakPolarHBondContact CH2-O 3.43Å; K79-F81 PolarHBondContact O-N 2.92Å
80G92.8Very high92.8Very high12 Ų1284 Ų8412%0.12440%0.404CS..THydrogen-bonded Turntrans70.8-21.6-177.800000115.7G50 G84G50-G80 WeakPolarHBondContact CA-O 3.43Å; G50-G80 WeakPolarHBondContact O-CA 3.42Å; G80-G84 PolarHBondContact O-N 3.14Å
81F95Very high92.8Very high2 Ų281 Ų811%0.00939%0.388CS..Hα-helixtrans-67.5-46.7-173.9-168.9-82000113.4P23 H24 W25 K74 N76 R78 K79 E83 G84 L85P23-F81 HydrophobicContact CB-CE2 3.9Å; P23-F81 HydrophobicContact CG-CD2 3.7Å; P23-F81 HydrophobicContact CG-CE2 3.48Å; P23-F81 VanDerWaalsContact CG-CE2 3.48Å; P23-F81 HydrophobicContact CG-CZ 4.45Å; H24-F81 VanDerWaalsContact O-CE2 3.24Å; H24-F81 WeakPolarHBondContact O-CE2 3.32Å; H24-F81 WeakPolarHBondContact O-CZ 3.35Å; W25-F81 AromaticContact CD2-CD2 3.75Å; W25-F81 HydrophobicContact CD2-CD2 3.75Å; W25-F81 HydrophobicContact CD2-CE2 4.31Å; W25-F81 AromaticContact CE3-CD2 3.62Å; W25-F81 HydrophobicContact CE3-CD2 3.62Å; W25-F81 HydrophobicContact CE3-CE2 4.23Å; W25-F81 HydrophobicContact CG-CD2 4.34Å; W25-F81 HydrophobicContact CH2-CB 3.93Å; W25-F81 HydrophobicContact CH2-CD2 4.19Å; W25-F81 HydrophobicContact CZ2-CB 3.98Å; W25-F81 HydrophobicContact CZ2-CD2 4.29Å; W25-F81 HydrophobicContact CZ3-CB 4.36Å; W25-F81 AromaticContact CZ3-CD2 3.85Å; W25-F81 HydrophobicContact CZ3-CD2 3.85Å; K74-F81 WeakPolarHBondContact O-CE1 3.19Å; N76-F81 HydrophobicContact CB-CB 3.99Å; N76-F81 HydrophobicContact CB-CD1 3.27Å; N76-F81 HydrophobicContact CB-CD2 4.1Å; N76-F81 HydrophobicContact CB-CE1 3.67Å; N76-F81 HydrophobicContact CB-CE2 4.43Å; N76-F81 HydrophobicContact CB-CG 3.51Å; N76-F81 HydrophobicContact CB-CZ 4.25Å; R78-F81 HydrophobicContact CB-CB 4.22Å; R78-F81 PolarHBondContact O-N 2.87Å; K79-F81 PolarHBondContact O-N 2.92Å; F81-E83 VanDerWaalsContact C-N 3.33Å; F81-G84 PolarHBondContact O-N 3.28Å; F81-L85 HydrophobicContact CD1-CD1 4.05Å; F81-L85 HydrophobicContact CD1-CG 4.11Å; F81-L85 HydrophobicContact CE1-CD1 3.71Å; F81-L85 HydrophobicContact CE1-CD2 4.26Å; F81-L85 HydrophobicContact CE1-CG 3.88Å; F81-L85 PolarHBondContact O-N 3.05Å
82N94.4Very high92.5Very high75 Ų7577.8 Ų77.840%0.40138%0.38SS..Hα-helixtrans-72.8-32-178.1-55.6-42.4000111.8S75 N76 L85 W86S75-N82 WeakPolarHBondContact CA-OD1 3.45Å; S75-N82 WeakPolarHBondContact CB-OD1 3.47Å; N76-N82 PolarHBondContact N-OD1 2.99Å; N76-N82 PolarHBondContact O-ND2 2.85Å; N76-N82 PolarHBondContact O-OD1 2.96Å; N82-L85 PolarHBondContact O-N 2.8Å; N82-W86 PolarHBondContact O-N 3.47Å; N82-W86 VanDerWaalsContact O-N 3.14Å
83E94.8Very high92Very high113 Ų11377.5 Ų77.553%0.52839%0.393SS..Hα-helixtrans-62.9-47.3169.8179.6173.4-168.900110.2F81 L85 W86 E87F81-E83 VanDerWaalsContact C-N 3.33Å; E83-L85 VanDerWaalsContact C-N 3.32Å; E83-L85 PolarHBondContact O-N 3.07Å; E83-W86 CarbonylContact O-C 3.58Å; E83-W86 WeakPolarHBondContact O-CA 3.37Å; E83-W86 WeakPolarHBondContact O-CB 3.35Å; E83-W86 PolarHBondContact O-N 3.17Å; E83-E87 PolarHBondContact O-N 2.99Å
84G95.1Very high91.7Very high0 Ų077.4 Ų77.40%039%0.387CS..Hα-helixtrans-66-28.7175.700000114.7P26 F49 G80 F81 W86 I88P26-G84 VanDerWaalsContact CG-C 3.49Å; F49-G84 VanDerWaalsContact C-CA 3.47Å; F49-G84 VanDerWaalsContact CB-CA 3.45Å; F49-G84 WeakPolarHBondContact CB-O 3.38Å; G80-G84 PolarHBondContact O-N 3.14Å; F81-G84 PolarHBondContact O-N 3.28Å; G84-W86 VanDerWaalsContact C-N 3.33Å; G84-I88 WeakPolarHBondContact O-CB 3.45Å; G84-I88 VanDerWaalsContact O-CG2 3.32Å; G84-I88 WeakPolarHBondContact O-CG2 3.41Å; G84-I88 PolarHBondContact O-N 3.35Å; G84-I88 VanDerWaalsContact O-N 3.07Å
85L94.5Very high91Very high18 Ų1878 Ų789%0.09439%0.389CS..Hα-helixtrans-68.9-30.4168.4-74.1-175.1000112.6F16 P26 F81 N82 E83 I88F16-L85 HydrophobicContact CE1-CD2 4.22Å; P26-L85 HydrophobicContact CB-CD2 4.09Å; P26-L85 HydrophobicContact CG-CD2 4Å; P26-L85 HydrophobicContact CG-CG 4.3Å; F81-L85 HydrophobicContact CD1-CD1 4.05Å; F81-L85 HydrophobicContact CD1-CG 4.11Å; F81-L85 HydrophobicContact CE1-CD1 3.71Å; F81-L85 HydrophobicContact CE1-CD2 4.26Å; F81-L85 HydrophobicContact CE1-CG 3.88Å; F81-L85 PolarHBondContact O-N 3.05Å; N82-L85 PolarHBondContact O-N 2.8Å; E83-L85 VanDerWaalsContact C-N 3.32Å; E83-L85 PolarHBondContact O-N 3.07Å; L85-I88 WeakPolarHBondContact O-CG2 3.39Å
86W94.6Very high89.8Confident154 Ų15477.3 Ų77.358%0.58337%0.373SS*.Hα-helixtrans-76.7-44.1174-177.687.7000111.1N82 E83 G84 E89 N90N82-W86 PolarHBondContact O-N 3.47Å; N82-W86 VanDerWaalsContact O-N 3.14Å; E83-W86 CarbonylContact O-C 3.58Å; E83-W86 WeakPolarHBondContact O-CA 3.37Å; E83-W86 WeakPolarHBondContact O-CB 3.35Å; E83-W86 PolarHBondContact O-N 3.17Å; G84-W86 VanDerWaalsContact C-N 3.33Å; W86-E89 PolarHBondContact O-N 3.44Å; W86-N90 HydrophobicContact CD2-CB 4.13Å; W86-N90 HydrophobicContact CE3-CB 4.42Å; W86-N90 HydrophobicContact CH2-CB 4.08Å; W86-N90 HydrophobicContact CZ2-CB 3.75Å; W86-N90 HydrophobicContact CZ3-CB 4.4Å; W86-N90 PolarHBondContact NE1-ND2 3.13Å; W86-N90 WeakPolarHBondContact O-CB 3.21Å; W86-N90 PolarHBondContact O-N 2.85Å; W86-N90 PolarHBondContact O-ND2 2.92Å
87E94.9Very high88.2Confident16 Ų1680.1 Ų80.18%0.07539%0.393CS..Hα-helixtrans-60.8-46.1178-70.6-170.8140.800112.8F49 G50 H52 E83 E89 N90 N91 P92 V94F49-E87 WeakPolarHBondContact CA-OE2 3.21Å; F49-E87 HydrophobicContact CB-CB 4.11Å; F49-E87 WeakPolarHBondContact CB-OE2 3.35Å; F49-E87 HydrophobicContact CD1-CB 3.69Å; F49-E87 HydrophobicContact CE1-CB 4.48Å; F49-E87 HydrophobicContact CG-CB 4.18Å; G50-E87 PolarHBondContact N-OE2 2.96Å; H52-E87 IonicContact CD2-OE1 3.48Å; H52-E87 IonicContact CD2-OE2 2.76Å; H52-E87 IonicContact CE1-OE1 2.58Å; H52-E87 PolarHBondContact CE1-OE1 3.15Å; H52-E87 IonicContact NE2-OE1 3.92Å; H52-E87 PolarHBondContact NE2-OE1 2.82Å; H52-E87 IonicContact NE2-OE2 3.66Å; H52-E87 PolarHBondContact NE2-OE2 3.32Å; E83-E87 PolarHBondContact O-N 2.99Å; E87-E89 PolarHBondContact O-N 2.83Å; E87-N90 PolarHBondContact O-N 3.3Å; E87-N91 CarbonylContact O-C 2.95Å; E87-N91 WeakPolarHBondContact O-CA 3.41Å; E87-N91 PolarHBondContact O-N 2.87Å; E87-P92 VanDerWaalsContact O-N 3.12Å; E87-V94 HydrophobicContact CB-CG1 4.42Å; E87-V94 HydrophobicContact CG-CG1 4.44Å
88I93.1Very high86.4Confident3 Ų370.6 Ų70.62%0.01536%0.356CS..Hα-helixtrans-62.5-18.4-178.4-164.2162000113.4L14 P26 A27 F49 Y65 G84 L85L14-I88 HydrophobicContact CB-CD1 4.27Å; L14-I88 HydrophobicContact CB-CG1 4.35Å; L14-I88 HydrophobicContact CD1-CG1 4.07Å; L14-I88 HydrophobicContact CD2-CG1 4.19Å; L14-I88 HydrophobicContact CG-CG1 4.43Å; P26-I88 HydrophobicContact CB-CB 4.32Å; P26-I88 HydrophobicContact CB-CD1 3.9Å; P26-I88 HydrophobicContact CB-CG2 4.07Å; A27-I88 WeakPolarHBondContact O-CD1 3.14Å; F49-I88 HydrophobicContact CD2-CB 3.72Å; F49-I88 HydrophobicContact CD2-CD1 3.83Å; F49-I88 HydrophobicContact CD2-CG1 3.89Å; F49-I88 HydrophobicContact CE2-CB 3.83Å; F49-I88 HydrophobicContact CE2-CD1 3.72Å; F49-I88 HydrophobicContact CE2-CG1 3.58Å; F49-I88 HydrophobicContact CG-CB 4.29Å; F49-I88 HydrophobicContact CZ-CB 4.46Å; F49-I88 HydrophobicContact CZ-CG1 4.33Å; Y65-I88 HydrophobicContact CD2-CD1 3.49Å; Y65-I88 VanDerWaalsContact CD2-CD1 3.49Å; Y65-I88 HydrophobicContact CD2-CG1 4.16Å; Y65-I88 HydrophobicContact CD2-CG2 4.42Å; Y65-I88 HydrophobicContact CE2-CD1 3.9Å; Y65-I88 HydrophobicContact CE2-CG1 4.17Å; Y65-I88 HydrophobicContact CE2-CG2 3.69Å; Y65-I88 HydrophobicContact CG-CD1 3.94Å; Y65-I88 HydrophobicContact CG-CG1 4.46Å; G84-I88 WeakPolarHBondContact O-CB 3.45Å; G84-I88 VanDerWaalsContact O-CG2 3.32Å; G84-I88 WeakPolarHBondContact O-CG2 3.41Å; G84-I88 PolarHBondContact O-N 3.35Å; G84-I88 VanDerWaalsContact O-N 3.07Å; L85-I88 WeakPolarHBondContact O-CG2 3.39Å
89E92.3Very high84.5Confident96 Ų9668.6 Ų68.645%0.44935%0.349SS..Hα-helixtrans-101.1-37.6177.4-61.9-166.9-151.100113.4Y65 K69 W86 E87Y65-E89 WeakPolarHBondContact OH-CG 3.47Å; Y65-E89 PolarHBondContact OH-OE1 2.74Å; K69-E89 WeakPolarHBondContact CE-OE1 3.26Å; K69-E89 IonicContact NZ-OE1 2.83Å; K69-E89 PolarHBondContact NZ-OE1 2.97Å; K69-E89 IonicContact NZ-OE2 2.74Å; K69-E89 PolarHBondContact NZ-OE2 3.19Å; W86-E89 PolarHBondContact O-N 3.44Å; E87-E89 PolarHBondContact O-N 2.83Å
90N93.4Very high82.5Confident101 Ų10165.4 Ų65.454%0.5434%0.337SS..Hα-helixtrans-106-26.5-171-62.5-94.2000113.6W86 E87W86-N90 HydrophobicContact CD2-CB 4.13Å; W86-N90 HydrophobicContact CE3-CB 4.42Å; W86-N90 HydrophobicContact CH2-CB 4.08Å; W86-N90 HydrophobicContact CZ2-CB 3.75Å; W86-N90 HydrophobicContact CZ3-CB 4.4Å; W86-N90 PolarHBondContact NE1-ND2 3.13Å; W86-N90 WeakPolarHBondContact O-CB 3.21Å; W86-N90 PolarHBondContact O-N 2.85Å; W86-N90 PolarHBondContact O-ND2 2.92Å; E87-N90 PolarHBondContact O-N 3.3Å
91N90.9Very high80.3Confident74 Ų7467.3 Ų67.340%0.39635%0.351SS..  trans-145.859.6-180-169.35.7000112.3E87 G93 V94E87-N91 CarbonylContact O-C 2.95Å; E87-N91 WeakPolarHBondContact O-CA 3.41Å; E87-N91 PolarHBondContact O-N 2.87Å; N91-G93 PolarHBondContact O-N 3.13Å; N91-V94 WeakPolarHBondContact O-CG1 3.49Å; N91-V94 PolarHBondContact O-N 3.2Å; N91-V94 VanDerWaalsContact O-N 3.17Å; N91-V94 PolarHBondContact OD1-N 3.33Å
92P85.9Confident78Confident55 Ų5573.4 Ų73.436%0.35738%0.382SS..THydrogen-bonded Turntrans-62.5-13.7-178.525.1-34.9000113.7L14 R28 F49 E87L14-P92 HydrophobicContact CD1-CB 4.26Å; L14-P92 HydrophobicContact CD2-CB 4Å; R28-P92 PolarHBondContact NH1-O 3.39Å; F49-P92 HydrophobicContact CZ-CB 4.4Å; F49-P92 WeakPolarHBondContact CZ-O 3.39Å; E87-P92 VanDerWaalsContact O-N 3.12Å
93G80.3Confident75.9Confident51 Ų5174.5 Ų74.553%0.52638%0.384SS..THydrogen-bonded Turntrans-86.7-3.5178.200000116N91 K95N91-G93 PolarHBondContact O-N 3.13Å; G93-K95 WeakPolarHBondContact O-CG 3.39Å; G93-K95 PolarHBondContact O-N 3.17Å; G93-K95 VanDerWaalsContact O-N 3.15Å
94V83.8Confident73.6Confident26 Ų2675.7 Ų75.716%0.15839%0.39CS..  trans-57.1116.6-177.861.40000111.9R28 F47 F49 E87 N91R28-V94 VanDerWaalsContact CZ-O 3.24Å; R28-V94 PolarHBondContact NH1-O 2.74Å; R28-V94 PolarHBondContact NH2-O 2.74Å; F47-V94 HydrophobicContact CE1-CG1 4.1Å; F47-V94 HydrophobicContact CZ-CG1 4.11Å; F47-V94 WeakPolarHBondContact CZ-O 3.13Å; F49-V94 HydrophobicContact CD1-CG1 3.78Å; F49-V94 HydrophobicContact CE1-CG1 3.82Å; E87-V94 HydrophobicContact CB-CG1 4.42Å; E87-V94 HydrophobicContact CG-CG1 4.44Å; N91-V94 WeakPolarHBondContact O-CG1 3.49Å; N91-V94 PolarHBondContact O-N 3.2Å; N91-V94 VanDerWaalsContact O-N 3.17Å; N91-V94 PolarHBondContact OD1-N 3.33Å
95K76.4Confident71.1Confident143 Ų14383.1 Ų83.162%0.62243%0.425SS*.  trans-103136.2-177.9-62-153.2176.7-156.50111.6G93 T97G93-K95 WeakPolarHBondContact O-CG 3.39Å; G93-K95 PolarHBondContact O-N 3.17Å; G93-K95 VanDerWaalsContact O-N 3.15Å; K95-T97 PolarHBondContact O-N 3.43Å; K95-T97 VanDerWaalsContact O-N 3.16Å
96F65.6Low68.5Low90 Ų9087.1 Ų87.140%0.39545%0.454SS..  trans-72.3106.6170.9-179.5-116.7000109F47 H52 G98 Y99F47-F96 HydrophobicContact CD2-CB 4.33Å; F47-F96 HydrophobicContact CE2-CB 3.75Å; H52-F96 HydrophobicContact CB-CB 4.22Å; H52-F96 HydrophobicContact CB-CD2 3.8Å; H52-F96 HydrophobicContact CB-CG 4.35Å; F96-G98 VanDerWaalsContact CE1-CA 3.48Å; F96-G98 PolarHBondContact O-N 3.37Å; F96-G98 VanDerWaalsContact O-N 3.17Å; F96-Y99 PolarHBondContact O-N 3.35Å
97T58Low65.7Low117 Ų11784.5 Ų84.572%0.71846%0.459SS*.THydrogen-bonded Turntrans-64-22.7-176.8-146.60000112.7K95 Y99 Q100K95-T97 PolarHBondContact O-N 3.43Å; K95-T97 VanDerWaalsContact O-N 3.16Å; T97-Y99 PolarHBondContact O-N 3.21Å; T97-Y99 VanDerWaalsContact O-N 3.13Å; T97-Q100 PolarHBondContact O-N 3.08Å
98G55.1Low63.1Low15 Ų1588.7 Ų88.716%0.15549%0.49CS..Hα-helixtrans-64.5-13.7-179.400000115.6F96 Q100 A101 M102F96-G98 VanDerWaalsContact CE1-CA 3.48Å; F96-G98 PolarHBondContact O-N 3.37Å; F96-G98 VanDerWaalsContact O-N 3.17Å; G98-Q100 PolarHBondContact O-N 3.47Å; G98-A101 PolarHBondContact O-N 3.33Å; G98-M102 PolarHBondContact O-N 3.29Å
99Y51.1Low60.5Low78 Ų7897.7 Ų97.731%0.30653%0.532SS..Hα-helixtrans-60.2-33.2171.8-108.4-46.2000112.5T54 F96 T97 Q103T54-Y99 WeakPolarHBondContact CB-OH 3.44Å; T54-Y99 HydrophobicContact CG2-CD2 4.2Å; T54-Y99 HydrophobicContact CG2-CE2 3.49Å; T54-Y99 VanDerWaalsContact CG2-CE2 3.49Å; F96-Y99 PolarHBondContact O-N 3.35Å; T97-Y99 PolarHBondContact O-N 3.21Å; T97-Y99 VanDerWaalsContact O-N 3.13Å; Y99-Q103 PolarHBondContact O-N 2.87Å
100Q50.2Low57.8Low135 Ų13598.6 Ų98.663%0.63155%0.545SS*.Hα-helixtrans-72.6-36.6175.7-68.2-162.465.700112.3T97 G98 Q104T97-Q100 PolarHBondContact O-N 3.08Å; G98-Q100 PolarHBondContact O-N 3.47Å; Q100-Q104 WeakPolarHBondContact O-CG 3.21Å; Q100-Q104 PolarHBondContact O-N 3.16Å
101A48Very low55.2Low51 Ų51101.9 Ų101.942%0.42156%0.557SS.*Hα-helixtrans-66.5-46.8177.600000111.8G98 Q103 Q104 Q105G98-A101 PolarHBondContact O-N 3.33Å; A101-Q103 PolarHBondContact O-N 2.76Å; A101-Q104 PolarHBondContact O-N 3.47Å; A101-Q105 PolarHBondContact O-N 3.23Å
102M46.2Very low52.9Low131 Ų131107.4 Ų107.465%0.64558%0.58SS**Hα-helixtrans-60.8-38.8-179.9-78-80.4170.300113.1G98 Q105 S106G98-M102 PolarHBondContact O-N 3.29Å; M102-Q105 PolarHBondContact O-N 3.49Å; M102-S106 PolarHBondContact O-N 3.37Å
103Q49.4Very low50.5Low98 Ų98108.3 Ų108.346%0.45860%0.599SS.*Hα-helixtrans-72-31.7177.7-70.6-153107.700113.3Y99 A101 Q105 S106 S107Y99-Q103 PolarHBondContact O-N 2.87Å; A101-Q103 PolarHBondContact O-N 2.76Å; Q103-Q105 VanDerWaalsContact C-N 3.33Å; Q103-Q105 PolarHBondContact O-N 3.48Å; Q103-S106 PolarHBondContact O-N 2.98Å; Q103-S107 PolarHBondContact O-OG 3.01Å
104Q47.7Very low48.3Very low137 Ų137109.4 Ų109.464%0.6461%0.61SS**Hα-helixtrans-65.6-35.8175-71.617333.400111.9Q100 A101 S106Q100-Q104 WeakPolarHBondContact O-CG 3.21Å; Q100-Q104 PolarHBondContact O-N 3.16Å; A101-Q104 PolarHBondContact O-N 3.47Å; Q104-S106 VanDerWaalsContact C-N 3.35Å
105Q42.8Very low46.4Very low157 Ų157116 Ų11673%0.73465%0.645SS**Hα-helixtrans-75.6-19.8176.6-63.1-170.2-95.500113.9A101 M102 Q103A101-Q105 PolarHBondContact O-N 3.23Å; M102-Q105 PolarHBondContact O-N 3.49Å; Q103-Q105 VanDerWaalsContact C-N 3.33Å; Q103-Q105 PolarHBondContact O-N 3.48Å
106S39.9Very low44.4Very low102 Ų102116.4 Ų116.471%0.71366%0.66SS**THydrogen-bonded Turntrans-91.84.8-177.9-169.20000114.5M102 Q103 Q104M102-S106 PolarHBondContact O-N 3.37Å; Q103-S106 PolarHBondContact O-N 2.98Å; Q104-S106 VanDerWaalsContact C-N 3.35Å
107S35.7Very low43.2Very low98 Ų98116.6 Ų116.669%0.68568%0.678SS**SBendtrans-123.128-175.6-52.50000113Q103Q103-S107 PolarHBondContact O-OG 3.01Å
108S40.2Very low42.3Very low105 Ų105119.1 Ų119.173%0.73469%0.687SS**  trans-146.457.3-178.9-64.50000112.2
109E36.9Very low41.5Very low191 Ų191121.6 Ų121.689%0.89371%0.712SS**  trans-146.283.9164.8-158.9-178.9124.700110.1
110T35.8Very low41.1Very low116 Ų116123.8 Ų123.871%0.71274%0.739SS**  trans-155.7129.2171.5-240000110
111E39.8Very low40.7Very low170 Ų170123.1 Ų123.179%0.79475%0.749SS**  trans62.6142.9176.7-36.5-50.4170.300115.9
112E41.7Very low40.4Very low190 Ų190129.8 Ų129.889%0.88877%0.771SS**  cis-156.8157.7-9.7-164.1-167.2110.300107.1
113G35.7Very low39.9Very low73 Ų73127.1 Ų127.175%0.75378%0.778SS**  trans170.584.1170.300000120.4
114G34.2Very low39.6Very low74 Ų74129.7 Ų129.776%0.76380%0.795SS**  trans35.5123.5142.400000123.5
115N44.1Very low39.2Very low166 Ų166130.4 Ų130.489%0.88880%0.803SS**  trans-72.8134.6156.1-63.9-54.1000111.5
116T35.1Very low39.1Very low151 Ų151126.6 Ų126.693%0.92681%0.806SS**  trans-153.9158.2147.2220000111
117A40.8Very low39Very low94 Ų94127.6 Ų127.678%0.77780%0.803SS**  trans-102.3169.1-167.100000114.6
118D37.2Very low39.2Very low170 Ų170128.7 Ų128.791%0.90981%0.811SS**  trans70.3153.4147.2-162.1-139.7000119.8
119G38.4Very low39.3Very low66 Ų66129.7 Ų129.768%0.6881%0.812SS**  trans130101.817000000115.8
120S43.9Very low39.3Very low125 Ų125129.9 Ų129.987%0.87481%0.813SS**  trans-77.8153.7167.6-530000112.8
121S40.8Very low39.5Very low120 Ų120133.1 Ų133.184%0.83982%0.82SS**  -166.8176.6127.5-152.30000112
122E41.6Very low39.4Very low191 Ų191133.7 Ų133.789%0.89382%0.823SS**  trans-114.3165.5-164.7-61.5162.597.300114.1
123G36.7Very low39.3Very low76 Ų76128.8 Ų128.878%0.78480%0.802SS**  trans94.6158.6163.600000116.6
124D41.7Very low39.4Very low151 Ų151131.3 Ų131.381%0.80781%0.809SS**  cis-160.5163.8-16.2-164.3-161.9000110.4
125D40.5Very low40.1Very low152 Ų152135.5 Ų135.581%0.81381%0.806SS**  trans19.8137.8169.4-96.9-24.5000122.9
126G39.5Very low39.9Very low77 Ų77137.3 Ų137.379%0.79481%0.806SS**  trans-166.858.8179.900000114.8
127D39.3Very low40.2Very low124 Ų124139.2 Ų139.266%0.66380%0.801SS**  trans-61.6129.8178.6178.7-164.2000113.3V129D127-V129 PolarHBondContact OD2-N 3.03Å
128S39.9Very low40.2Very low120 Ų120142.7 Ų142.784%0.83981%0.806SS**  trans-154.587.6146.8-80.90000110.7
129V40.9Very low40.3Very low126 Ų126142.2 Ų142.276%0.76480%0.796SS**  trans-57.9133.2165.7-70.30000112.5D127D127-V129 PolarHBondContact OD2-N 3.03Å
130Q38.1Very low40.2Very low195 Ų195146 Ų14691%0.91180%0.796SS**  trans-148.891.9160.8-166.8159.1102.800110.4
131E39.3Very low39.7Very low185 Ų185145.7 Ų145.786%0.86478%0.784SS**  trans-80.6145.9164.1-62.9-149130.600110.5
132E38.1Very low39.8Very low181 Ų181147.4 Ų147.485%0.84678%0.777SS**  -164.8155.4126.7-103.4-86.562.900111.1
133D38.6Very low39.3Very low87 Ų87145 Ų14547%0.46578%0.776SS.*  trans-13121.7-170.8-152.8-90.7000121.7K135D133-K135 WeakPolarHBondContact OD1-CB 3.36Å; D133-K135 WeakPolarHBondContact OD1-CG 3.37Å; D133-K135 PolarHBondContact OD1-N 3.24Å; D133-K135 WeakPolarHBondContact OD2-CD 3.21Å; D133-K135 WeakPolarHBondContact OD2-CG 3.33Å; D133-K135 IonicContact OD2-NZ 2.82Å; D133-K135 PolarHBondContact OD2-NZ 3.18Å
134S38.5Very low39.1Very low127 Ų127145 Ų14589%0.88878%0.775SS**  trans-124.159.5157.3-80.80000112.5K136S134-K136 PolarHBondContact O-N 3.06Å
135K49.8Very low39.2Very low162 Ų162144 Ų14470%0.70478%0.78SS**  trans-71.697.1173.5-77.8178.7-175.384.30112.7D133D133-K135 WeakPolarHBondContact OD1-CB 3.36Å; D133-K135 WeakPolarHBondContact OD1-CG 3.37Å; D133-K135 PolarHBondContact OD1-N 3.24Å; D133-K135 WeakPolarHBondContact OD2-CD 3.21Å; D133-K135 WeakPolarHBondContact OD2-CG 3.33Å; D133-K135 IonicContact OD2-NZ 2.82Å; D133-K135 PolarHBondContact OD2-NZ 3.18Å
136K40Very low39.1Very low204 Ų204146.6 Ų146.689%0.88778%0.784SS**  -170.6114.2124.3-102.1150.8-172.2169.80113.8S134S134-K136 PolarHBondContact O-N 3.06Å
137K39.9Very low39.3Very low190 Ų190154.3 Ų154.383%0.82679%0.789SS**  trans-65.7150.5154.6-61.6-178.7178.9-1800108.1
138L41.6Very low39.3Very low167 Ų167158.2 Ų158.287%0.87480%0.8SS**  -169.8137.776.8-91.1169.7000114
139K39.3Very low39.2Very low160 Ų160162 Ų16270%0.69680%0.801SS**  trans-64.8166.3150.4-90174160.2-80.50110.6
140E35.9Very low39.4Very low146 Ų146163.1 Ų163.168%0.68280%0.802SS**  cis-178.4149.6-7.9167.8162.68700109.2
141D33.9Very low39.8Very low118 Ų118159.4 Ų159.463%0.63180%0.795SS**  trans54.9157.5159.6-152.8-133.2000123.4
142K41.8Very low39.8Very low156 Ų156155.3 Ų155.368%0.67879%0.786SS**  trans-4.5139.4170-63.8164.8-157.4720118.7
143T31.1Very low40.1Very low142 Ų142152.5 Ų152.587%0.87179%0.786SS**  -176.5159.779.232.10000113.4
144G33.3Very low40.3Very low74 Ų74157.6 Ų157.676%0.76381%0.805SS**  trans81.590.3140.600000120.5
145S43.1Very low40.3Very low131 Ų131159.4 Ų159.492%0.91680%0.799SS**  trans-120108.4161.3-78.40000111.8
146K38.5Very low39.9Very low206 Ų206156.3 Ų156.390%0.89680%0.798SS**  trans-102.2117.9179.4-84.1178.9177.2170.40112.8
147R43.3Very low40.1Very low239 Ų239151.7 Ų151.790%0.90279%0.791SS**  trans42.7117.6143.6-67.7179.2168.3177.7-4.1120.4
148K40.3Very low40Very low207 Ų207151.6 Ų151.690%0.979%0.791SS**  trans-174145.9135.2-98.7163-174.3179.10107
149K38.1Very low40Very low198 Ų198150.7 Ų150.786%0.86179%0.786SS**  cis-160.3152.5-27.1-133.5-171.8-178.7-167.90106.2
150I45.7Very low39.9Very low150 Ų150148.2 Ų148.277%0.76979%0.789SS**  trans-73.4154.7178.83.1173.4000111.9
151P44.8Very low40Very low118 Ų118152.5 Ų152.577%0.76680%0.799SS**  -130.213983.322.5-3.6000112.7
152S40.2Very low40.1Very low99 Ų99152.6 Ų152.669%0.69280%0.803SS**  cis9290.441.879.70000114.8
153S45.3Very low39.9Very low121 Ų121149.8 Ų149.885%0.84680%0.804SS**  trans-135.2133.5148.454.10000110.1
154K40.8Very low40.2Very low195 Ų195146.7 Ų146.785%0.84879%0.787SS**  trans-104.7175.4157.4-51.9173.6-178.4174.30105.4
155Q39.9Very low40.4Very low164 Ų164150.6 Ų150.677%0.76679%0.786SS**  cis-150.3-179.117.8-61.2174.1-167.400109.2
156S40.9Very low40.2Very low97 Ų97153 Ų15368%0.67878%0.783SS**  trans33.9148.6137.5620000122.1
157S43.4Very low40.3Very low108 Ų108149.9 Ų149.976%0.75578%0.776SS**  cis-166.3153.718.280000114.2
158K39.3Very low40.3Very low187 Ų187144.2 Ų144.281%0.81376%0.763SS**  trans4.7129144.8-79.8-178.1175-179.40121.4
159L41.4Very low40.4Very low149 Ų149142.3 Ų142.378%0.7876%0.758SS**  86.3140.7129.6-66.7168.9000122.6
160S36.6Very low40.5Very low108 Ų108139 Ų13976%0.75575%0.746SS**  trans74.2158155.185.30000117.3
161R37.2Very low40.6Very low236 Ų236141.4 Ų141.489%0.89175%0.745SS**  cis-153178.4-13.4-132.6173.8173.7140.5-4.9110.7
162V37.4Very low40.4Very low119 Ų119143.5 Ų143.572%0.72175%0.75SS**  trans-53.4165.4-179.467.30000117.1
163S36.4Very low40.5Very low98 Ų98141.4 Ų141.469%0.68574%0.743SS**  trans74.9157.4161.4-85.60000117.4
164S37.9Very low40.8Very low76 Ų76144 Ų14453%0.53174%0.739SS.*  cis-172.4167.6-15-107.30000110.3
165E36.8Very low41.2Very low156 Ų156142.2 Ų142.273%0.72974%0.739SS**  trans56.6127.1144-82.8119.778.600123.1
166E40.3Very low41.6Very low183 Ų183141.8 Ų141.886%0.85574%0.737SS**  trans63.7156.9148.6-3.2-157.9104.700119
167D39.8Very low42Very low140 Ų140144.8 Ų144.875%0.74975%0.746SS**  cis-151.3175.110.4-166.1-155.3000112.7
168D43.2Very low42.1Very low119 Ų119148.8 Ų148.864%0.63675%0.752SS**  trans-21.9167.6166.8-88.3-165.8000121.1
169Q42.9Very low42.6Very low167 Ų167149 Ų14978%0.7875%0.753SS**  cis-144.3-154.16.4-130.9164.168.900109.4
170E39.3Very low42.7Very low130 Ų130147.3 Ų147.361%0.60775%0.754SS**  cis-151.9151.216.7-175.7-151.1-167.100109.1
171R48.3Very low43.1Very low200 Ų200149 Ų14976%0.75575%0.754SS**  trans131.280.5149.4-68.7-79.2162.8173-16.8115.7
172D41.2Very low43.5Very low162 Ų162143.8 Ų143.887%0.86675%0.754SS**  trans-53157.6149.8-144-115.3000110.8
173G43Very low43.9Very low54 Ų54147.7 Ų147.756%0.55777%0.765SS**  cis137.1136.86.200000110
174K51.4Low44Very low176 Ų176147 Ų14777%0.76577%0.773SS**  trans178.3111.5157.9-110.9-173.7172-140.40113.8E176K174-E176 IonicContact NZ-OE2 2.77Å; K174-E176 PolarHBondContact NZ-OE2 2.85Å
175D48Very low44.1Very low157 Ų157146.4 Ų146.484%0.8478%0.779SS**  trans-84.4146.2149.6-54.6-95.2000109.4
176E48.3Very low44.6Very low156 Ų156146.5 Ų146.573%0.72979%0.785SS**  trans-147.3119.6149.7-72.7-165.180.300109.5K174K174-E176 IonicContact NZ-OE2 2.77Å; K174-E176 PolarHBondContact NZ-OE2 2.85Å
177D48.9Very low45.5Very low160 Ų160146.8 Ų146.886%0.85679%0.785SS**  trans-64.4134.7171-74.3-94.6000111.7
178Q46.3Very low46.1Very low192 Ų192146.3 Ų146.390%0.89778%0.783SS**  trans-138136.7147.7-71.8-159.624.100112.4
179K50.4Low46.7Very low190 Ų190146.1 Ų146.183%0.82679%0.791SS**  trans-115.5125.2-178.7167.8-165.6173.8-174.50108.6
180S43.2Very low47.5Very low115 Ų115144.4 Ų144.480%0.80479%0.787SS**  trans-153.2134.2166.4-77.30000112.4
181D45.2Very low48Very low142 Ų142147.9 Ų147.976%0.75980%0.801SS**  trans-71151.7162.1-71.8-116.2000111.5
182S45.6Very low48.4Very low128 Ų128146 Ų14690%0.89580%0.804SS**  trans-177.6157.3132.3-80.20000112.5
183E46.1Very low49Very low200 Ų200146.8 Ų146.894%0.93580%0.802SS**  trans-86.8162.9-178.6-62.3170.459.600114.4
184G38.3Very low49.4Very low83 Ų83154 Ų15486%0.85682%0.818SS**  trans105.9136.5144.900000117.6
185G39.4Very low49.4Very low64 Ų64152.2 Ų152.266%0.6682%0.823SS**  trans139.166.3166.100000116.5
186D48.2Very low49.6Very low159 Ų159151.4 Ų151.485%0.8582%0.823SS**  trans-43.9134.9171.6-61.5-115000113.6
187H58.6Low49.8Very low188 Ų188151.6 Ų151.687%0.8783%0.829SS**  trans-134.498.5163.8-8972.2000111.1
188D51.8Low50.1Low130 Ų130148.3 Ų148.370%0.69582%0.824SS**  trans0.7121169.2-149.2-88.8000120.3N190D188-N190 PolarHBondContact O-N 2.58Å; D188-N190 WeakPolarHBondContact OD1-CB 3.48Å; D188-N190 PolarHBondContact OD1-ND2 3.02Å
189S56.6Low50.5Low116 Ų116148.7 Ų148.781%0.81182%0.823SS**  trans-95.879.5175.961.50000112.9
190N58.5Low50.5Low130 Ų130147.7 Ų147.770%0.69583%0.827SS**  trans-139.564.4179.2-84-65.3000115.1D188D188-N190 PolarHBondContact O-N 2.58Å; D188-N190 WeakPolarHBondContact OD1-CB 3.48Å; D188-N190 PolarHBondContact OD1-ND2 3.02Å
191F50.6Low51Low204 Ų204151.1 Ų151.190%0.89583%0.83SS**  trans-139.739.8166.7-156.3-105000115.1
192I56.8Low51.2Low159 Ų159152.4 Ų152.482%0.81584%0.836SS**SBendtrans-136.1152.5166.2-51.9-179.6000107.7
193Q53.6Low51.4Low179 Ų179154 Ų15484%0.83683%0.833SS**  trans76.675.3178-48.5-176.31.400117.2
194K52Low51.6Low206 Ų206153.7 Ų153.790%0.89684%0.835SS**  trans-15838.8156.2-124.3164.7-169.1172.50118.1
195T51.1Low52.3Low139 Ų139158.8 Ų158.885%0.85384%0.836SS**SBendtrans-142.535.4177.951.90000115.2
196T52.9Low52.8Low140 Ų140165 Ų16586%0.85985%0.848SS**SBendtrans-140.348178.959.70000114.6
197D51.1Low52.7Low159 Ų159169.8 Ų169.885%0.8587%0.865SS**  trans-151.6155.9155-169.4-136.8000110.5
198A56.1Low52.4Low91 Ų91168.9 Ų168.975%0.75286%0.864SS**SBendtrans107.738.5-178.100000118.1
199K54.2Low52.5Low200 Ų200170.9 Ų170.987%0.8787%0.873SS**  trans-150.117164.5-131.1171.9-174.21770119.7
200N51.8Low52.2Low169 Ų169173.9 Ų173.990%0.90488%0.877SS**SBendtrans-112.741.3176.7-85.30.7000113.4
201Q52.8Low51.9Low187 Ų187176.5 Ų176.587%0.87489%0.887SS**  trans-150.778174.9-167.9149.281.100113.7
202L49.2Very low52Low170 Ų170174.8 Ų174.889%0.8989%0.887SS**  trans-159.6160.7151.6-147.272.1000110.3
203L49.4Very low51.6Low160 Ų160175.9 Ų175.984%0.83889%0.892SS**  trans72.162.3169.7-146.777.8000117.3
204M49.9Very low51.5Low195 Ų195175.6 Ų175.696%0.96190%0.896SS**  trans-134.958.2156.5-82.5-76.1-7300109
205E53.3Low51.5Low189 Ų189173.3 Ų173.388%0.88390%0.896SS**  trans-148.894.9175.3-169171.3111.500110.7
206E50.4Low51.5Low196 Ų196176.2 Ų176.292%0.91690%0.899SS**  trans-151111.8155.2-167.8178.8154.700106.7
207H46.9Very low51.4Low258 Ų258179.5 Ų179.5100%1.19490%0.903SS**  trans-163.90-177-141.8-55.7000112.8

Retrieved 207 of 207 residues in 83.2 ms (Link to these results)

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