A0A087YBU3_POEFO Loading...

ADP-ribosylation factor-like protein 15

AlphaFold DB , UniProt , Accession A0A087YBU3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 192 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
1M40Very low49.2Very low228 Ų228164.6 Ų164.6100%1.12386%0.861SS**  093.60-87.1-162173.200106.5
2D40Very low50.3Low165 Ų165168.1 Ų168.188%0.88286%0.864SS**  trans-75.5120.6-164.3-63.8-72.7000112.3L4D2-L4 PolarHBondContact O-N 3.48Å
3Y46.3Very low51Low227 Ų227159.3 Ų159.389%0.8984%0.84SS**  trans-81.3100.7163.4-77.2-98.2000108.3
4L49.9Very low52.2Low159 Ų159156.9 Ų156.983%0.83284%0.838SS**  trans-158.184.6152.1-133.492.4000109.5D2 F6D2-L4 PolarHBondContact O-N 3.48Å; L4-F6 PolarHBondContact O-N 2.85Å
5C48.5Very low53Low112 Ų112153.9 Ų153.976%0.75783%0.831SS**  trans-64.5114.1169.4-174.80000108.4R7C5-R7 VanDerWaalsContact C-N 3.33Å; C5-R7 PolarHBondContact O-N 3.2Å
6F47.4Very low54Low193 Ų193151.3 Ų151.385%0.84683%0.825SS**  trans-55.492.7168-99.8-98.6000109.6L4L4-F6 PolarHBondContact O-N 2.85Å
7R48.7Very low55.4Low232 Ų232149.8 Ų149.888%0.87582%0.824SS**  trans-128.258.5178.7-140.8-177.1-174.1-160.41.6109.6C5C5-R7 VanDerWaalsContact C-N 3.33Å; C5-R7 PolarHBondContact O-N 3.2Å
8A51.8Low57.1Low93 Ų93147.8 Ų147.877%0.76980%0.802SS**  trans-151.423.4-179.200000115.3
9L55.7Low59Low147 Ų147142.6 Ų142.677%0.7778%0.777SS**SBendtrans-134.3136168.9-80.4121.4000108.8
10C57.5Low60.8Low123 Ų123141.3 Ų141.383%0.83177%0.765SS**SBendtrans9624.9171-50.50000119.3
11C55.5Low62.5Low132 Ų132134.7 Ų134.789%0.89273%0.729SS**  trans-121.656.7159.4-62.40000111.1G13C11-G13 PolarHBondContact O-N 3.23Å
12K62.1Low65.3Low206 Ų206127.6 Ų127.690%0.89670%0.696SS**  trans-71109.5153.8-70.7-168.3178.2-176.50104.6
13G59.3Low68Low54 Ų54119.9 Ų119.956%0.55765%0.654SS**PPolyproline II helixtrans-51.4161.9174.300000110.8C11C11-G13 PolarHBondContact O-N 3.23Å
14P67.6Low70.5Confident126 Ų126109 Ų10982%0.81861%0.612SS**PPolyproline II helixtrans-50.3135.3176.221.6-30.8000108.7
15P64.8Low72.8Confident112 Ų112101.5 Ų101.573%0.72757%0.573SS**PPolyproline II helixtrans-52.9144.3177.922.3-31.7000108.9
16P68.9Low75.1Confident112 Ų11296.2 Ų96.273%0.72754%0.537SS*.PPolyproline II helixtrans-52.6143.6176.623-32.4000109.5R18P16-R18 PolarHBondContact O-N 3.27Å
17P77.8Confident77.5Confident126 Ų12687 Ų8782%0.81850%0.496SS*.PPolyproline II helixtrans-56.4131.5178.923.4-31.6000109
18R85.8Confident79.7Confident113 Ų11376.9 Ų76.943%0.42646%0.459SS..PPolyproline II helixtrans-64.4137.7175-71.6-176.6-67.7-165.9-4.7108.5P16 F61 I65P16-R18 PolarHBondContact O-N 3.27Å; R18-F61 PolarHBondContact NH1-O 3.12Å; R18-I65 HydrophobicContact CB-CG1 4.39Å
19P92.9Very high81.8Confident49 Ų4975.9 Ų75.932%0.31844%0.444SS..PPolyproline II helixtrans-57.7144.1170.925.6-34.6000110.4Y21 N63 A64 I65P19-Y21 HydrophobicContact CB-CE2 3.93Å; P19-Y21 HydrophobicContact CG-CE2 4.1Å; P19-N63 VanDerWaalsContact CD-O 3.28Å; P19-N63 WeakPolarHBondContact CD-O 3.4Å; P19-N63 WeakPolarHBondContact CG-O 3.44Å; P19-A64 HydrophobicContact CG-CB 4.17Å; P19-A64 CarbonylContact O-C 3.57Å; P19-A64 WeakPolarHBondContact O-CA 3.24Å; P19-I65 PolarHBondContact O-N 3.39Å
20E95.4Very high83.6Confident116 Ų11671.4 Ų71.454%0.54243%0.434SS..EExtended strand (participates in β ladder)trans-112.5132.8175.2-57.6-167-167.700109.2I65 N67E20-I65 CarbonylContact C-O 3.56Å; E20-I65 VanDerWaalsContact CA-O 3.3Å; E20-I65 WeakPolarHBondContact CA-O 3.19Å; E20-I65 HydrophobicContact CG-CB 4.22Å; E20-N67 PolarHBondContact OE2-ND2 3.38Å; E20-N67 VanDerWaalsContact OE2-ND2 3.12Å
21Y97.2Very high85.4Confident3 Ų365.7 Ų65.71%0.01240%0.395CS..EExtended strand (participates in β ladder)trans-122.9126.8177.6-58.2-72000111.3P19 A64 I65 L66 N67 Q89 I179 L182 E183 E186P19-Y21 HydrophobicContact CB-CE2 3.93Å; P19-Y21 HydrophobicContact CG-CE2 4.1Å; Y21-A64 HydrophobicContact CD2-CB 4.03Å; Y21-A64 HydrophobicContact CE2-CB 3.94Å; Y21-I65 PolarHBondContact N-O 2.92Å; Y21-L66 HydrophobicContact CD2-CD2 4.06Å; Y21-L66 HydrophobicContact CG-CD2 4.38Å; Y21-L66 WeakPolarHBondContact O-CA 3.33Å; Y21-N67 PolarHBondContact O-N 3.49Å; Y21-Q89 VanDerWaalsContact CA-OE1 3.31Å; Y21-I179 HydrophobicContact CE2-CG2 4.39Å; Y21-L182 HydrophobicContact CD1-CB 4.03Å; Y21-L182 HydrophobicContact CD2-CB 4.26Å; Y21-L182 HydrophobicContact CD2-CD1 4.19Å; Y21-L182 HydrophobicContact CE1-CB 4.11Å; Y21-L182 HydrophobicContact CE2-CB 4.31Å; Y21-L182 HydrophobicContact CG-CB 4.13Å; Y21-L182 HydrophobicContact CG-CD1 3.96Å; Y21-E183 HydrophobicContact CE2-CG 4.39Å; Y21-E183 WeakPolarHBondContact OH-CG 3.19Å; Y21-E186 HydrophobicContact CE1-CG 4.48Å; Y21-E186 PolarHBondContact OH-OE2 3.46Å
22D97.7Very high87.3Confident80 Ų8059.9 Ų59.943%0.42836%0.357SS..EExtended strand (participates in β ladder)trans-81.5119.4173.5-70.7-46.8000109.8N67 S88 Q89D22-N67 WeakPolarHBondContact OD1-CB 3.44Å; D22-S88 CarbonylContact O-C 3.46Å; D22-Q89 PolarHBondContact O-N 2.93Å
23V98.1Very high88.9Confident2 Ų250.6 Ų50.61%0.01232%0.317CS..EExtended strand (participates in β ladder)trans-128.8147179.2-59.40000110.7L66 N67 V68 K69 G90 I92 L182V23-L66 HydrophobicContact CG1-CD2 4.42Å; V23-L66 HydrophobicContact CG2-CB 4.37Å; V23-N67 PolarHBondContact N-O 3.13Å; V23-V68 HydrophobicContact CG2-CB 4.13Å; V23-V68 HydrophobicContact CG2-CG1 4.25Å; V23-V68 HydrophobicContact CG2-CG2 3.67Å; V23-V68 WeakPolarHBondContact O-CA 3.45Å; V23-K69 PolarHBondContact O-N 3.32Å; V23-G90 WeakPolarHBondContact CA-O 3.42Å; V23-I92 HydrophobicContact CB-CD1 4.49Å; V23-I92 HydrophobicContact CG2-CD1 3.77Å; V23-L182 HydrophobicContact CG1-CD1 4.06Å
24V98.3Very high90.6Very high0 Ų049.4 Ų49.40%030%0.299CS..EExtended strand (participates in β ladder)trans-102.3131.8175.568.60000110.1I26 K69 L71 Y85 G90 V91 I92 L120V24-I26 HydrophobicContact CG2-CG2 3.97Å; V24-K69 WeakPolarHBondContact CA-O 3.47Å; V24-L71 HydrophobicContact CG2-CD1 3.84Å; V24-L71 HydrophobicContact CG2-CG 3.93Å; V24-Y85 HydrophobicContact CG1-CD1 4.23Å; V24-Y85 HydrophobicContact CG2-CD1 4.31Å; V24-G90 PolarHBondContact N-O 2.94Å; V24-G90 VanDerWaalsContact N-O 3.14Å; V24-V91 HydrophobicContact CG1-CB 4.46Å; V24-V91 HydrophobicContact CG1-CG1 4.21Å; V24-V91 HydrophobicContact CG1-CG2 4.07Å; V24-I92 PolarHBondContact O-N 2.89Å; V24-L120 HydrophobicContact CG1-CD2 4.26Å
25C98.3Very high91.9Very high1 Ų144.6 Ų44.61%0.00727%0.269CS..EExtended strand (participates in β ladder)trans-107.1116.8174.8-178.20000110.2L37 V68 K69 E70 L71 I92C25-L37 HydrophobicContact CB-CD1 4.37Å; C25-V68 HydrophobicContact CB-CG1 3.56Å; C25-K69 PolarHBondContact N-O 2.93Å; C25-E70 HydrophobicContact CB-CB 4.49Å; C25-L71 PolarHBondContact O-N 3.11Å; C25-I92 CarbonylContact C-O 3.48Å; C25-I92 VanDerWaalsContact CA-O 3.29Å; C25-I92 WeakPolarHBondContact CA-O 3.35Å; C25-I92 HydrophobicContact CB-CB 4.19Å
26I97.7Very high93.3Very high0 Ų039.4 Ų39.40%024%0.235CC..EExtended strand (participates in β ladder)trans-128.5164.4-177.758.9171000111.4V24 L71 W81 Y85 V91 I92 F93 V94 A114V24-I26 HydrophobicContact CG2-CG2 3.97Å; I26-L71 HydrophobicContact CG2-CB 4.26Å; I26-L71 HydrophobicContact CG2-CD1 3.75Å; I26-L71 HydrophobicContact CG2-CG 4.1Å; I26-W81 HydrophobicContact CB-CD2 4.29Å; I26-W81 HydrophobicContact CB-CE3 4.04Å; I26-W81 HydrophobicContact CB-CH2 4.06Å; I26-W81 HydrophobicContact CB-CZ2 4.25Å; I26-W81 HydrophobicContact CB-CZ3 3.94Å; I26-W81 HydrophobicContact CD1-CE3 4.3Å; I26-W81 HydrophobicContact CD1-CZ3 4.3Å; I26-W81 HydrophobicContact CG2-CD2 4.04Å; I26-W81 HydrophobicContact CG2-CE3 4.13Å; I26-W81 HydrophobicContact CG2-CG 4.41Å; I26-Y85 HydrophobicContact CD1-CE1 4.48Å; I26-Y85 HydrophobicContact CG2-CE1 4.12Å; I26-V91 HydrophobicContact CD1-CG1 4.22Å; I26-V91 HydrophobicContact CG1-CG1 4.2Å; I26-I92 PolarHBondContact N-O 3.02Å; I26-F93 HydrophobicContact CD1-CD2 3.88Å; I26-F93 HydrophobicContact CD1-CE2 4.36Å; I26-F93 HydrophobicContact CG1-CD2 3.73Å; I26-F93 HydrophobicContact CG1-CE2 4.38Å; I26-F93 WeakPolarHBondContact O-CA 3.36Å; I26-V94 PolarHBondContact O-N 3.24Å; I26-A114 HydrophobicContact CD1-CB 3.72Å
27G97Very high94.6Very high0 Ų034.2 Ų34.20%020%0.2CC..  trans146.9162.1-175.400000111.5K33 G73 W81 V94G27-K33 PolarHBondContact O-NZ 2.79Å; G27-G73 WeakPolarHBondContact O-CA 3.38Å; G27-W81 VanDerWaalsContact N-CH2 3.26Å; G27-W81 WeakPolarHBondContact O-CZ2 3.46Å; G27-V94 WeakPolarHBondContact CA-O 3.41Å
28L95.6Very high95.4Very high19 Ų1928.5 Ų28.510%0.09916%0.164CC..  trans-63.9163.3-176.6-60-171.7000112.9A31 K33 K78 D103 A107 E110L28-A31 VanDerWaalsContact O-CB 3.28Å; L28-A31 WeakPolarHBondContact O-CB 3.28Å; L28-A31 PolarHBondContact O-N 2.64Å; L28-K33 PolarHBondContact O-NZ 3.43Å; L28-K78 HydrophobicContact CD2-CD 3.7Å; L28-D103 WeakPolarHBondContact CD1-O 3.43Å; L28-A107 HydrophobicContact CD1-CB 3.89Å; L28-A107 HydrophobicContact CG-CB 4.13Å; L28-E110 HydrophobicContact CD2-CG 4.02Å
29T94.6Very high95.7Very high73 Ų7327.8 Ų27.845%0.44816%0.161SC..THydrogen-bonded Turntrans-59.6141.8168.7-60.30000109.3A31 P50 G73 A74T29-A31 PolarHBondContact O-N 2.89Å; T29-P50 HydrophobicContact CG2-CB 4.44Å; T29-G73 PolarHBondContact N-O 3.19Å; T29-G73 VanDerWaalsContact N-O 3.15Å; T29-G73 PolarHBondContact OG1-O 3.08Å; T29-A74 VanDerWaalsContact OG1-CA 3.26Å; T29-A74 WeakPolarHBondContact OG1-CA 3.16Å; T29-A74 PolarHBondContact OG1-N 3.38Å
30G93.5Very high95.7Very high53 Ų5326.2 Ų26.255%0.54615%0.15SC..THydrogen-bonded Turntrans80.7-9.3-178.200000115G32 H131G30-G32 PolarHBondContact O-N 3.43Å; G30-G32 VanDerWaalsContact O-N 3.09Å; G30-H131 PolarHBondContact O-CE1 2.84Å
31A95.8Very high95.6Very high2 Ų222.5 Ų22.52%0.01714%0.136CC..SBendtrans-63.4-16.7177.900000114.7L28 T29 V94 N130L28-A31 VanDerWaalsContact O-CB 3.28Å; L28-A31 WeakPolarHBondContact O-CB 3.28Å; L28-A31 PolarHBondContact O-N 2.64Å; T29-A31 PolarHBondContact O-N 2.89Å; A31-V94 HydrophobicContact CB-CB 4.37Å; A31-V94 HydrophobicContact CB-CG1 4.17Å; A31-V94 WeakPolarHBondContact CB-O 3.44Å; A31-V94 VanDerWaalsContact O-CG1 3.27Å; A31-V94 WeakPolarHBondContact O-CG1 3.5Å; A31-N130 PolarHBondContact O-ND2 2.98Å
32G94.8Very high95.2Very high10 Ų1025.7 Ų25.710%0.10317%0.17CC..  trans92.715.7177.300000115.9G30 T34 S35 L36G30-G32 PolarHBondContact O-N 3.43Å; G30-G32 VanDerWaalsContact O-N 3.09Å; G32-T34 PolarHBondContact O-N 2.89Å; G32-S35 PolarHBondContact O-N 2.92Å; G32-L36 WeakPolarHBondContact O-CG 3.48Å; G32-L36 PolarHBondContact O-N 2.83Å
33K96Very high94.8Very high11 Ų1126 Ų265%0.04817%0.169CC..Hα-helixtrans-48.6-56.6175.8-63.3-176.3-57.3-68.70112.5G27 L28 S35 L36 L37 E70 L71 V94G27-K33 PolarHBondContact O-NZ 2.79Å; L28-K33 PolarHBondContact O-NZ 3.43Å; K33-S35 VanDerWaalsContact C-N 3.3Å; K33-S35 PolarHBondContact O-N 3.19Å; K33-L36 PolarHBondContact O-N 2.92Å; K33-L37 WeakPolarHBondContact O-CG 3.11Å; K33-L37 PolarHBondContact O-N 2.96Å; K33-E70 HydrophobicContact CB-CG 4.21Å; K33-E70 WeakPolarHBondContact CB-OE1 3.49Å; K33-L71 WeakPolarHBondContact CE-O 3.3Å; K33-V94 HydrophobicContact CG-CB 3.75Å; K33-V94 HydrophobicContact CG-CG1 4.46Å; K33-V94 HydrophobicContact CG-CG2 3.83Å
34T95.1Very high94.3Very high29 Ų2930 Ų3018%0.17820%0.198CC..Hα-helixtrans-63.6-39.3-176.7-410000111G32 S38 I48 E70G32-T34 PolarHBondContact O-N 2.89Å; T34-S38 VanDerWaalsContact O-CB 3.24Å; T34-S38 WeakPolarHBondContact O-CB 3.4Å; T34-S38 PolarHBondContact O-N 2.77Å; T34-S38 PolarHBondContact O-OG 2.83Å; T34-I48 HydrophobicContact CG2-CG2 3.97Å; T34-E70 WeakPolarHBondContact CA-OE1 3.42Å; T34-E70 WeakPolarHBondContact CB-OE1 3.33Å; T34-E70 PolarHBondContact N-OE1 2.85Å; T34-E70 PolarHBondContact OG1-OE1 3.35Å
35S94.9Very high93.7Very high26 Ų2632.3 Ų32.318%0.18221%0.212CC..Hα-helixtrans-63.1-50.1178.1-46.50000111.6G32 K33 L37 S38 R39 I48G32-S35 PolarHBondContact O-N 2.92Å; K33-S35 VanDerWaalsContact C-N 3.3Å; K33-S35 PolarHBondContact O-N 3.19Å; S35-L37 PolarHBondContact O-N 2.8Å; S35-S38 PolarHBondContact O-N 3.2Å; S35-R39 VanDerWaalsContact O-CG 3.28Å; S35-R39 WeakPolarHBondContact O-CG 3.34Å; S35-R39 PolarHBondContact O-N 3.46Å; S35-I48 VanDerWaalsContact CA-CD1 3.49Å; S35-I48 WeakPolarHBondContact OG-CD1 3.18Å
36L95.3Very high93Very high3 Ų338.2 Ų38.22%0.01624%0.243CC..Hα-helixtrans-60.7-47.5178.8-71171.6000111.5G32 K33 S38 R39 L40 V94 L128 N130 V165 V171G32-L36 WeakPolarHBondContact O-CG 3.48Å; G32-L36 PolarHBondContact O-N 2.83Å; K33-L36 PolarHBondContact O-N 2.92Å; L36-S38 PolarHBondContact O-N 2.85Å; L36-R39 PolarHBondContact O-N 2.99Å; L36-L40 WeakPolarHBondContact O-CG 3.45Å; L36-L40 PolarHBondContact O-N 2.82Å; L36-V94 HydrophobicContact CD1-CG1 3.86Å; L36-V94 HydrophobicContact CD1-CG2 4.42Å; L36-L128 HydrophobicContact CD1-CD1 4.15Å; L36-N130 HydrophobicContact CD1-CB 4.43Å; L36-V165 HydrophobicContact CD2-CG2 4.23Å; L36-V171 HydrophobicContact CD2-CG1 4.42Å; L36-V171 HydrophobicContact CD2-CG2 3.98Å
37L95Very high92.2Very high2 Ų245.5 Ų45.51%0.0128%0.282CS..Hα-helixtrans-65.7-39.4-179.8-65.8174.9000112.3C25 K33 S35 L40 C41 K57 V59 V68 E70 F175C25-L37 HydrophobicContact CB-CD1 4.37Å; K33-L37 WeakPolarHBondContact O-CG 3.11Å; K33-L37 PolarHBondContact O-N 2.96Å; S35-L37 PolarHBondContact O-N 2.8Å; L37-L40 HydrophobicContact CD2-CD1 4.43Å; L37-L40 PolarHBondContact O-N 3.13Å; L37-C41 PolarHBondContact O-N 2.78Å; L37-C41 VanDerWaalsContact O-N 3.13Å; L37-C41 PolarHBondContact O-SG 3.24Å; L37-K57 HydrophobicContact CB-CD 4.2Å; L37-V59 HydrophobicContact CD2-CG2 4.36Å; L37-V68 HydrophobicContact CD1-CG1 3.81Å; L37-V68 HydrophobicContact CD2-CB 4.2Å; L37-V68 HydrophobicContact CD2-CG1 3.79Å; L37-V68 HydrophobicContact CD2-CG2 4.12Å; L37-V68 HydrophobicContact CG-CG1 4.48Å; L37-E70 HydrophobicContact CD1-CB 3.77Å; L37-E70 HydrophobicContact CD1-CG 4.03Å; L37-F175 HydrophobicContact CD2-CZ 4.33Å
38S93.9Very high91.7Very high7 Ų748.5 Ų48.55%0.04930%0.298CS..Hα-helixtrans-64.7-43.2176.7-53.50000111T34 S35 L36 L40 C41 G42 E43 K57T34-S38 VanDerWaalsContact O-CB 3.24Å; T34-S38 WeakPolarHBondContact O-CB 3.4Å; T34-S38 PolarHBondContact O-N 2.77Å; T34-S38 PolarHBondContact O-OG 2.83Å; S35-S38 PolarHBondContact O-N 3.2Å; L36-S38 PolarHBondContact O-N 2.85Å; S38-L40 PolarHBondContact O-N 3.43Å; S38-C41 CarbonylContact O-C 3.57Å; S38-C41 PolarHBondContact O-N 2.79Å; S38-G42 PolarHBondContact O-N 3.02Å; S38-E43 WeakPolarHBondContact O-CB 3.36Å; S38-E43 PolarHBondContact O-N 3.42Å; S38-K57 PolarHBondContact OG-NZ 3.4Å
39R93.5Very high91.2Very high98 Ų9852.8 Ų52.837%0.3732%0.324SS..Hα-helixtrans-64.3-38.4175.2-67.4-71.5-77.2167.4-7.4113.2S35 L36 C41 G42 T45 V165 M168S35-R39 VanDerWaalsContact O-CG 3.28Å; S35-R39 WeakPolarHBondContact O-CG 3.34Å; S35-R39 PolarHBondContact O-N 3.46Å; L36-R39 PolarHBondContact O-N 2.99Å; R39-C41 PolarHBondContact O-N 2.73Å; R39-G42 PolarHBondContact O-N 2.91Å; R39-T45 VanDerWaalsContact CD-CG2 3.46Å; R39-T45 HydrophobicContact CG-CG2 3.44Å; R39-T45 VanDerWaalsContact CG-CG2 3.44Å; R39-V165 HydrophobicContact CG-CG1 3.69Å; R39-V165 PolarHBondContact NE-O 3.47Å; R39-M168 HydrophobicContact CB-CE 3.9Å; R39-M168 HydrophobicContact CB-CG 4.03Å; R39-M168 HydrophobicContact CB-SD 3.42Å; R39-M168 WeakPolarHBondContact CB-SD 3.48Å; R39-M168 HydrophobicContact CG-SD 4.16Å
40L93.1Very high90.8Very high15 Ų1553.4 Ų53.48%0.07933%0.329CS..Hα-helixtrans-61.4-35.3174.7-76.5170000112L36 L37 S38 G42 V59 F61 M168 V171 K172 F175L36-L40 WeakPolarHBondContact O-CG 3.45Å; L36-L40 PolarHBondContact O-N 2.82Å; L37-L40 HydrophobicContact CD2-CD1 4.43Å; L37-L40 PolarHBondContact O-N 3.13Å; S38-L40 PolarHBondContact O-N 3.43Å; L40-G42 VanDerWaalsContact C-N 3.28Å; L40-G42 PolarHBondContact O-N 3.39Å; L40-V59 HydrophobicContact CB-CG1 3.73Å; L40-V59 HydrophobicContact CD1-CG1 4.34Å; L40-F61 HydrophobicContact CD2-CZ 4.31Å; L40-M168 HydrophobicContact CB-CE 4.41Å; L40-M168 HydrophobicContact CD2-CE 3.44Å; L40-M168 VanDerWaalsContact CD2-CE 3.44Å; L40-M168 HydrophobicContact CG-CE 3.54Å; L40-V171 HydrophobicContact CD1-CG1 4.13Å; L40-V171 HydrophobicContact CD2-CG1 4.08Å; L40-V171 HydrophobicContact CG-CG1 4.27Å; L40-K172 HydrophobicContact CD2-CG 3.64Å; L40-F175 HydrophobicContact CD1-CD1 4.28Å; L40-F175 HydrophobicContact CD1-CD2 4.09Å; L40-F175 HydrophobicContact CD1-CE1 3.85Å; L40-F175 HydrophobicContact CD1-CE2 3.63Å; L40-F175 HydrophobicContact CD1-CG 4.38Å; L40-F175 HydrophobicContact CD1-CZ 3.49Å; L40-F175 VanDerWaalsContact CD1-CZ 3.49Å
41C91.6Very high90.4Very high38 Ų3852.3 Ų52.326%0.25731%0.312SS..THydrogen-bonded Turntrans-80.2-2.8174.1-65.90000114.2L37 S38 R39 E43L37-C41 PolarHBondContact O-N 2.78Å; L37-C41 VanDerWaalsContact O-N 3.13Å; L37-C41 PolarHBondContact O-SG 3.24Å; S38-C41 CarbonylContact O-C 3.57Å; S38-C41 PolarHBondContact O-N 2.79Å; R39-C41 PolarHBondContact O-N 2.73Å; C41-E43 HydrophobicContact CB-CG 3.92Å; C41-E43 PolarHBondContact O-N 3.12Å
42G89.6Confident89.8Confident71 Ų7157.8 Ų57.873%0.73235%0.346SS*.THydrogen-bonded Turntrans71.717.8-174.200000114.1S38 R39 L40S38-G42 PolarHBondContact O-N 3.02Å; R39-G42 PolarHBondContact O-N 2.91Å; L40-G42 VanDerWaalsContact C-N 3.28Å; L40-G42 PolarHBondContact O-N 3.39Å
43E90.1Very high89.5Confident86 Ų8658.7 Ų58.740%0.40236%0.355SS..  trans-82.6155.5177.1-62.7168.9-166.200111.2S38 C41 K57S38-E43 WeakPolarHBondContact O-CB 3.36Å; S38-E43 PolarHBondContact O-N 3.42Å; C41-E43 HydrophobicContact CB-CG 3.92Å; C41-E43 PolarHBondContact O-N 3.12Å; E43-K57 IonicContact OE1-NZ 3.83Å; E43-K57 IonicContact OE2-NZ 2.64Å; E43-K57 PolarHBondContact OE2-NZ 3.44Å
44S86.4Confident89.3Confident87 Ų8763 Ų6361%0.60837%0.374SS*.  trans-66.1139.5173.457.10000111D46S44-D46 VanDerWaalsContact C-N 3.32Å
45T85.2Confident89.2Confident48 Ų4863.6 Ų63.629%0.29438%0.379SS..  trans-94.210.6173.148.10000113.3R39 I48 V165R39-T45 VanDerWaalsContact CD-CG2 3.46Å; R39-T45 HydrophobicContact CG-CG2 3.44Å; R39-T45 VanDerWaalsContact CG-CG2 3.44Å; T45-I48 HydrophobicContact CG2-CD1 3.96Å; T45-I48 WeakPolarHBondContact O-CG1 3Å; T45-V165 HydrophobicContact CG2-CG1 4.49Å
46D83.8Confident89.1Confident124 Ų12467.1 Ų67.166%0.66340%0.395SS*.THydrogen-bonded Turntrans-72.3134.3178.7-59-32.3000109.9S44 I48S44-D46 VanDerWaalsContact C-N 3.32Å; D46-I48 PolarHBondContact O-N 2.91Å
47N82.3Confident89.1Confident154 Ų15468.4 Ų68.482%0.82440%0.4SS*.THydrogen-bonded Turntrans59.839.1176.7-50.9-60.4000115.2V49N47-V49 PolarHBondContact O-N 2.83Å
48I85.6Confident89.1Confident63 Ų6371.2 Ų71.232%0.32342%0.424SS..  trans-62.9123172.1-67.4171.4000110.1T34 S35 T45 D46T34-I48 HydrophobicContact CG2-CG2 3.97Å; S35-I48 VanDerWaalsContact CA-CD1 3.49Å; S35-I48 WeakPolarHBondContact OG-CD1 3.18Å; T45-I48 HydrophobicContact CG2-CD1 3.96Å; T45-I48 WeakPolarHBondContact O-CG1 3Å; D46-I48 PolarHBondContact O-N 2.91Å
49V85.9Confident89.2Confident109 Ų10970.9 Ų70.966%0.66142%0.422SS*.  trans-104.7144.7175.9-177.20000109.3N47 T51N47-V49 PolarHBondContact O-N 2.83Å; V49-T51 PolarHBondContact O-N 3.37Å
50P85.5Confident89.2Confident85 Ų8569.7 Ų69.755%0.55243%0.427SS*.  trans-55.6128.6175.4-26.735.3000113.2T29 T52T29-P50 HydrophobicContact CG2-CB 4.44Å; P50-T52 PolarHBondContact O-N 2.86Å
51T85.8Confident89.2Confident30 Ų3069.7 Ų69.718%0.18443%0.426CS..  trans-63.5115.5177-52.20000111.1V49 G53 G72V49-T51 PolarHBondContact O-N 3.37Å; T51-G53 VanDerWaalsContact C-N 3.32Å; T51-G53 PolarHBondContact O-N 3.03Å; T51-G72 VanDerWaalsContact O-CA 3.27Å; T51-G72 WeakPolarHBondContact O-CA 3.29Å
52T83.1Confident89.1Confident118 Ų11873.6 Ų73.672%0.72445%0.451SS*.SBendtrans-78-12.4-178.4-46.20000113.6P50 I77P50-T52 PolarHBondContact O-N 2.86Å; T52-I77 WeakPolarHBondContact O-CD1 3.23Å; T52-I77 WeakPolarHBondContact O-CG1 3.39Å
53G88.3Confident89Confident29 Ų2973.5 Ų73.530%0.29943%0.433SS..SBendtrans-146.5-101-179.100000111.5T51 G72T51-G53 VanDerWaalsContact C-N 3.32Å; T51-G53 PolarHBondContact O-N 3.03Å; G53-G72 PolarHBondContact O-N 3.18Å
54F91.2Very high89.2Confident101 Ų10169.4 Ų69.444%0.44341%0.414SS..EExtended strand (participates in β ladder)trans-140.3161.4171.467-89.6000110.5I56 E70 L71 Y84F54-I56 HydrophobicContact CD2-CD1 4.4Å; F54-I56 HydrophobicContact CD2-CG1 4.26Å; F54-I56 HydrophobicContact CE2-CD1 4.09Å; F54-I56 HydrophobicContact CE2-CG1 4.41Å; F54-E70 CarbonylContact C-O 3.58Å; F54-E70 WeakPolarHBondContact CA-O 3.5Å; F54-E70 WeakPolarHBondContact CB-O 3.18Å; F54-L71 HydrophobicContact CB-CD2 3.66Å; F54-Y84 HydrophobicContact CD1-CD1 4.41Å; F54-Y84 AromaticContact CD1-CE1 3.67Å; F54-Y84 HydrophobicContact CD1-CE1 3.67Å; F54-Y84 AromaticContact CD1-CZ 3.88Å; F54-Y84 AromaticContact CE1-CE1 3.79Å; F54-Y84 HydrophobicContact CE1-CE1 3.79Å; F54-Y84 HydrophobicContact CG-CE1 4.41Å
55S93Very high89.7Confident41 Ų4166.7 Ų66.729%0.28739%0.393SS..EExtended strand (participates in β ladder)trans-131.7148.6170.9-177.20000108.7K69 E70S55-K69 CarbonylContact O-C 3.52Å; S55-K69 WeakPolarHBondContact O-CA 3.44Å; S55-E70 PolarHBondContact N-O 3.05Å; S55-E70 PolarHBondContact O-N 2.92Å
56I93.9Very high90.3Very high101 Ų10164.4 Ų64.452%0.51838%0.379SS..EExtended strand (participates in β ladder)trans-119.4124.9172.5-64.2163.4000107.7F54 V68 K69F54-I56 HydrophobicContact CD2-CD1 4.4Å; F54-I56 HydrophobicContact CD2-CG1 4.26Å; F54-I56 HydrophobicContact CE2-CD1 4.09Å; F54-I56 HydrophobicContact CE2-CG1 4.41Å; I56-V68 WeakPolarHBondContact CA-O 3.39Å; I56-K69 HydrophobicContact CG1-CB 4.26Å; I56-K69 HydrophobicContact CG1-CG 4.05Å
57K94Very high90.9Very high29 Ų2960 Ų6013%0.12636%0.355CS..EExtended strand (participates in β ladder)trans-126.2127.6177.2-69.4-172.2169-1610109.9L37 S38 E43 V59 V68L37-K57 HydrophobicContact CB-CD 4.2Å; S38-K57 PolarHBondContact OG-NZ 3.4Å; E43-K57 IonicContact OE1-NZ 3.83Å; E43-K57 IonicContact OE2-NZ 2.64Å; E43-K57 PolarHBondContact OE2-NZ 3.44Å; K57-V59 HydrophobicContact CB-CG2 4.42Å; K57-V59 PolarHBondContact O-N 3.24Å; K57-V68 PolarHBondContact N-O 3.48Å; K57-V68 PolarHBondContact O-N 2.95Å
58A95.3Very high91.7Very high61 Ų6152.7 Ų52.750%0.50432%0.316SS..EExtended strand (participates in β ladder)trans-82.3107.7168.200000108.5P60 I65 L66A58-P60 WeakPolarHBondContact O-CD 3.34Å; A58-I65 HydrophobicContact CB-CG2 4.14Å; A58-L66 WeakPolarHBondContact CA-O 3.34Å
59V95.5Very high92.2Very high1 Ų152.2 Ų52.21%0.00631%0.312CS..EExtended strand (participates in β ladder)trans-98.2111.4-178.7-172.70000108.8L37 L40 K57 F61 L66 V68L37-V59 HydrophobicContact CD2-CG2 4.36Å; L40-V59 HydrophobicContact CB-CG1 3.73Å; L40-V59 HydrophobicContact CD1-CG1 4.34Å; K57-V59 HydrophobicContact CB-CG2 4.42Å; K57-V59 PolarHBondContact O-N 3.24Å; V59-F61 HydrophobicContact CB-CE2 4.11Å; V59-F61 HydrophobicContact CG1-CD2 4.28Å; V59-F61 HydrophobicContact CG1-CE2 3.5Å; V59-F61 HydrophobicContact CG1-CZ 4.03Å; V59-L66 HydrophobicContact CB-CB 4.48Å; V59-L66 PolarHBondContact N-O 2.99Å; V59-L66 PolarHBondContact O-N 3.35Å; V59-V68 HydrophobicContact CB-CG2 4.37Å; V59-V68 HydrophobicContact CG2-CB 4.4Å; V59-V68 HydrophobicContact CG2-CG2 3.67Å
60P93.5Very high92.8Very high73 Ų7347.1 Ų47.147%0.47428%0.281SS..EExtended strand (participates in β ladder)trans-81.4129.2-175.631.4-33.4000111.7A58A58-P60 WeakPolarHBondContact O-CD 3.34Å
61F93.4Very high93.2Very high14 Ų1443.1 Ų43.16%0.06125%0.254CS..  trans-114.5164.1167.9-71.1-91.8000110.3R18 L40 V59 N63 A64 L66 K172 F175 I179R18-F61 PolarHBondContact NH1-O 3.12Å; L40-F61 HydrophobicContact CD2-CZ 4.31Å; V59-F61 HydrophobicContact CB-CE2 4.11Å; V59-F61 HydrophobicContact CG1-CD2 4.28Å; V59-F61 HydrophobicContact CG1-CE2 3.5Å; V59-F61 HydrophobicContact CG1-CZ 4.03Å; F61-N63 VanDerWaalsContact C-N 3.29Å; F61-N63 PolarHBondContact O-N 2.62Å; F61-A64 CarbonylContact C-O 3.44Å; F61-A64 WeakPolarHBondContact CA-O 3.32Å; F61-A64 WeakPolarHBondContact CB-O 3.38Å; F61-A64 PolarHBondContact N-O 3.47Å; F61-L66 HydrophobicContact CD2-CD1 4.1Å; F61-L66 HydrophobicContact CD2-CG 4.08Å; F61-L66 HydrophobicContact CE2-CD1 3.71Å; F61-L66 HydrophobicContact CE2-CG 4.12Å; F61-K172 HydrophobicContact CE1-CB 4.46Å; F61-K172 HydrophobicContact CE1-CG 4.43Å; F61-F175 HydrophobicContact CE1-CB 3.54Å; F61-F175 HydrophobicContact CE1-CG 4.38Å; F61-F175 HydrophobicContact CE2-CB 4.18Å; F61-F175 AromaticContact CE2-CD1 4Å; F61-F175 HydrophobicContact CE2-CD1 4Å; F61-F175 HydrophobicContact CE2-CG 4.45Å; F61-F175 HydrophobicContact CZ-CB 3.3Å; F61-F175 AromaticContact CZ-CD1 3.67Å; F61-F175 HydrophobicContact CZ-CD1 3.67Å; F61-F175 AromaticContact CZ-CG 3.7Å; F61-F175 HydrophobicContact CZ-CG 3.7Å; F61-I179 HydrophobicContact CB-CD1 3.69Å; F61-I179 HydrophobicContact CD1-CD1 4.03Å; F61-I179 HydrophobicContact CD2-CD1 3.77Å; F61-I179 HydrophobicContact CE2-CD1 4.44Å; F61-I179 HydrophobicContact CG-CD1 3.54Å
62P89.8Confident93.5Very high120 Ų12041.7 Ų41.778%0.77925%0.246SC*.SBendtrans-57.5-40180-27.636.7000113.5
63N88.1Confident93.8Very high69 Ų6936.4 Ų36.437%0.36922%0.215SC..SBendtrans-104.3-12.4-175.559.9-44.8000114.8P19 F61 I179 E183P19-N63 VanDerWaalsContact CD-O 3.28Å; P19-N63 WeakPolarHBondContact CD-O 3.4Å; P19-N63 WeakPolarHBondContact CG-O 3.44Å; F61-N63 VanDerWaalsContact C-N 3.29Å; F61-N63 PolarHBondContact O-N 2.62Å; N63-I179 VanDerWaalsContact ND2-CG2 3.32Å; N63-I179 WeakPolarHBondContact ND2-CG2 3.44Å; N63-E183 PolarHBondContact ND2-OE1 3.18Å
64A94.7Very high93.8Very high0 Ų036.5 Ų36.50%021%0.213CC..  trans-152.8169.3-178.300000112.3P19 Y21 F61 I179P19-A64 HydrophobicContact CG-CB 4.17Å; P19-A64 CarbonylContact O-C 3.57Å; P19-A64 WeakPolarHBondContact O-CA 3.24Å; Y21-A64 HydrophobicContact CD2-CB 4.03Å; Y21-A64 HydrophobicContact CE2-CB 3.94Å; F61-A64 CarbonylContact C-O 3.44Å; F61-A64 WeakPolarHBondContact CA-O 3.32Å; F61-A64 WeakPolarHBondContact CB-O 3.38Å; F61-A64 PolarHBondContact N-O 3.47Å; A64-I179 HydrophobicContact CB-CD1 4.2Å; A64-I179 HydrophobicContact CB-CG1 4.36Å; A64-I179 HydrophobicContact CB-CG2 3.82Å
65I95.6Very high93.6Very high31 Ų3137.6 Ų37.616%0.15922%0.224CC..EExtended strand (participates in β ladder)trans-117.8128.2166-57.5174.7000107.7R18 P19 E20 Y21 A58R18-I65 HydrophobicContact CB-CG1 4.39Å; P19-I65 PolarHBondContact O-N 3.39Å; E20-I65 CarbonylContact C-O 3.56Å; E20-I65 VanDerWaalsContact CA-O 3.3Å; E20-I65 WeakPolarHBondContact CA-O 3.19Å; E20-I65 HydrophobicContact CG-CB 4.22Å; Y21-I65 PolarHBondContact N-O 2.92Å; A58-I65 HydrophobicContact CB-CG2 4.14Å
66L97.7Very high93.2Very high0 Ų040.3 Ų40.30%024%0.235CC..EExtended strand (participates in β ladder)trans-99.9116.7174.9-62.5-176.1000109.9Y21 V23 A58 V59 F61 V68 F175 I179 L182Y21-L66 HydrophobicContact CD2-CD2 4.06Å; Y21-L66 HydrophobicContact CG-CD2 4.38Å; Y21-L66 WeakPolarHBondContact O-CA 3.33Å; V23-L66 HydrophobicContact CG1-CD2 4.42Å; V23-L66 HydrophobicContact CG2-CB 4.37Å; A58-L66 WeakPolarHBondContact CA-O 3.34Å; V59-L66 HydrophobicContact CB-CB 4.48Å; V59-L66 PolarHBondContact N-O 2.99Å; V59-L66 PolarHBondContact O-N 3.35Å; F61-L66 HydrophobicContact CD2-CD1 4.1Å; F61-L66 HydrophobicContact CD2-CG 4.08Å; F61-L66 HydrophobicContact CE2-CD1 3.71Å; F61-L66 HydrophobicContact CE2-CG 4.12Å; L66-V68 HydrophobicContact CB-CG2 4.01Å; L66-V68 PolarHBondContact O-N 2.93Å; L66-F175 HydrophobicContact CD1-CD1 3.67Å; L66-F175 HydrophobicContact CD1-CE1 4.32Å; L66-I179 HydrophobicContact CD1-CD1 4.24Å; L66-I179 HydrophobicContact CD1-CG1 4.11Å; L66-I179 HydrophobicContact CD2-CG1 3.94Å; L66-I179 HydrophobicContact CG-CD1 4.32Å; L66-I179 HydrophobicContact CG-CG1 4.22Å; L66-L182 HydrophobicContact CD2-CD1 4.04Å
67N97.6Very high92.8Very high31 Ų3136.6 Ų36.617%0.16622%0.216CC..EExtended strand (participates in β ladder)trans-83.989.2171.2-68.2-38000108.1E20 Y21 D22 V23 K69E20-N67 PolarHBondContact OE2-ND2 3.38Å; E20-N67 VanDerWaalsContact OE2-ND2 3.12Å; Y21-N67 PolarHBondContact O-N 3.49Å; D22-N67 WeakPolarHBondContact OD1-CB 3.44Å; V23-N67 PolarHBondContact N-O 3.13Å; N67-K69 PolarHBondContact O-N 2.59Å
68V97.9Very high92.5Very high0 Ų036.6 Ų36.60%022%0.216CC..EExtended strand (participates in β ladder)trans-86111.9-174.7-172.40000110.3V23 C25 L37 I56 K57 V59 L66 E70 I92V23-V68 HydrophobicContact CG2-CB 4.13Å; V23-V68 HydrophobicContact CG2-CG1 4.25Å; V23-V68 HydrophobicContact CG2-CG2 3.67Å; V23-V68 WeakPolarHBondContact O-CA 3.45Å; C25-V68 HydrophobicContact CB-CG1 3.56Å; L37-V68 HydrophobicContact CD1-CG1 3.81Å; L37-V68 HydrophobicContact CD2-CB 4.2Å; L37-V68 HydrophobicContact CD2-CG1 3.79Å; L37-V68 HydrophobicContact CD2-CG2 4.12Å; L37-V68 HydrophobicContact CG-CG1 4.48Å; I56-V68 WeakPolarHBondContact CA-O 3.39Å; K57-V68 PolarHBondContact N-O 3.48Å; K57-V68 PolarHBondContact O-N 2.95Å; V59-V68 HydrophobicContact CB-CG2 4.37Å; V59-V68 HydrophobicContact CG2-CB 4.4Å; V59-V68 HydrophobicContact CG2-CG2 3.67Å; L66-V68 HydrophobicContact CB-CG2 4.01Å; L66-V68 PolarHBondContact O-N 2.93Å; V68-E70 PolarHBondContact O-N 2.85Å; V68-I92 HydrophobicContact CG1-CD1 4.23Å; V68-I92 HydrophobicContact CG2-CD1 4.35Å
69K97.4Very high92.1Very high53 Ų5340.1 Ų40.123%0.2322%0.22CC..EExtended strand (participates in β ladder)trans-87.695.4168.9-170.3-173.2-59.51670109.7V23 V24 C25 S55 I56 N67 L71 Y84V23-K69 PolarHBondContact O-N 3.32Å; V24-K69 WeakPolarHBondContact CA-O 3.47Å; C25-K69 PolarHBondContact N-O 2.93Å; S55-K69 CarbonylContact O-C 3.52Å; S55-K69 WeakPolarHBondContact O-CA 3.44Å; I56-K69 HydrophobicContact CG1-CB 4.26Å; I56-K69 HydrophobicContact CG1-CG 4.05Å; N67-K69 PolarHBondContact O-N 2.59Å; K69-L71 HydrophobicContact CD-CD2 4.2Å; K69-L71 HydrophobicContact CG-CD2 4.02Å; K69-Y84 HydrophobicContact CD-CD1 4.34Å; K69-Y84 PolarHBondContact NZ-O 3.33Å; K69-Y84 VanDerWaalsContact NZ-O 3.13Å
70E96.5Very high91.8Very high2 Ų244 Ų441%0.00924%0.235CC..EExtended strand (participates in β ladder)trans-78126175-176.5-171.1-165.200110.9C25 K33 T34 L37 F54 S55 V68C25-E70 HydrophobicContact CB-CB 4.49Å; K33-E70 HydrophobicContact CB-CG 4.21Å; K33-E70 WeakPolarHBondContact CB-OE1 3.49Å; T34-E70 WeakPolarHBondContact CA-OE1 3.42Å; T34-E70 WeakPolarHBondContact CB-OE1 3.33Å; T34-E70 PolarHBondContact N-OE1 2.85Å; T34-E70 PolarHBondContact OG1-OE1 3.35Å; L37-E70 HydrophobicContact CD1-CB 3.77Å; L37-E70 HydrophobicContact CD1-CG 4.03Å; F54-E70 CarbonylContact C-O 3.58Å; F54-E70 WeakPolarHBondContact CA-O 3.5Å; F54-E70 WeakPolarHBondContact CB-O 3.18Å; S55-E70 PolarHBondContact N-O 3.05Å; S55-E70 PolarHBondContact O-N 2.92Å; V68-E70 PolarHBondContact O-N 2.85Å
71L95.4Very high91.8Very high1 Ų140.7 Ų40.71%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-101.8140.9175.1-50.9-172.6000111.3V24 C25 I26 K33 F54 K69 W81 Y84 Y85V24-L71 HydrophobicContact CG2-CD1 3.84Å; V24-L71 HydrophobicContact CG2-CG 3.93Å; C25-L71 PolarHBondContact O-N 3.11Å; I26-L71 HydrophobicContact CG2-CB 4.26Å; I26-L71 HydrophobicContact CG2-CD1 3.75Å; I26-L71 HydrophobicContact CG2-CG 4.1Å; K33-L71 WeakPolarHBondContact CE-O 3.3Å; F54-L71 HydrophobicContact CB-CD2 3.66Å; K69-L71 HydrophobicContact CD-CD2 4.2Å; K69-L71 HydrophobicContact CG-CD2 4.02Å; L71-W81 HydrophobicContact CB-CG 4.43Å; L71-W81 HydrophobicContact CD1-CB 3.87Å; L71-W81 HydrophobicContact CD1-CG 3.78Å; L71-Y84 HydrophobicContact CD1-CD2 4.31Å; L71-Y84 HydrophobicContact CD1-CG 4.48Å; L71-Y84 HydrophobicContact CD2-CD2 4.13Å; L71-Y84 HydrophobicContact CD2-CG 3.96Å; L71-Y85 HydrophobicContact CD1-CE1 4.38Å
72G91.6Very high91.7Very high1 Ų142.6 Ų42.61%0.0123%0.228CC..PPolyproline II helixtrans-59.5137.217400000111.9T51 G53 I77 W81T51-G72 VanDerWaalsContact O-CA 3.27Å; T51-G72 WeakPolarHBondContact O-CA 3.29Å; G53-G72 PolarHBondContact O-N 3.18Å; G72-I77 WeakPolarHBondContact O-CG2 3.3Å; G72-W81 PolarHBondContact O-NE1 2.97Å
73G89.3Confident91.8Very high6 Ų645.7 Ų45.76%0.06222%0.224CC..  trans-93.23.8-173.600000115.7G27 T29G27-G73 WeakPolarHBondContact O-CA 3.38Å; T29-G73 PolarHBondContact N-O 3.19Å; T29-G73 VanDerWaalsContact N-O 3.15Å; T29-G73 PolarHBondContact OG1-O 3.08Å
74A88.4Confident92.1Very high32 Ų3246 Ų4626%0.26422%0.221SC..SBendtrans-76.7148.3-176.100000110.4T29 N76 I77 K78T29-A74 VanDerWaalsContact OG1-CA 3.26Å; T29-A74 WeakPolarHBondContact OG1-CA 3.16Å; T29-A74 PolarHBondContact OG1-N 3.38Å; A74-N76 WeakPolarHBondContact CB-OD1 3.34Å; A74-N76 PolarHBondContact O-N 2.82Å; A74-N76 VanDerWaalsContact O-N 3.13Å; A74-I77 HydrophobicContact CB-CG1 4.4Å; A74-I77 CarbonylContact O-C 3.54Å; A74-I77 WeakPolarHBondContact O-CA 3.27Å; A74-I77 PolarHBondContact O-N 2.92Å; A74-K78 WeakPolarHBondContact O-CG 3.4Å; A74-K78 PolarHBondContact O-N 2.9Å
75D86.2Confident92.1Very high124 Ų12446.7 Ų46.766%0.66322%0.223SC*.Hα-helixtrans-55.1-37.3-174-64.9-42.6000113.6I77 K78D75-I77 PolarHBondContact O-N 3.14Å; D75-K78 WeakPolarHBondContact OD1-CE 3.33Å; D75-K78 IonicContact OD1-NZ 3.51Å; D75-K78 PolarHBondContact OD1-NZ 3.08Å
76N85.4Confident92.1Very high97 Ų9752.1 Ų52.152%0.51925%0.248SC..Hα-helixtrans-67.9-20.9176.165.1-29.1000113.6A74 K79 Y80A74-N76 WeakPolarHBondContact CB-OD1 3.34Å; A74-N76 PolarHBondContact O-N 2.82Å; A74-N76 VanDerWaalsContact O-N 3.13Å; N76-K79 VanDerWaalsContact O-CE 3.23Å; N76-K79 WeakPolarHBondContact O-CE 3.22Å; N76-Y80 WeakPolarHBondContact O-CD2 3.41Å; N76-Y80 VanDerWaalsContact O-CE2 3.23Å; N76-Y80 WeakPolarHBondContact O-CE2 3.39Å
77I85.9Confident91.8Very high24 Ų2454.8 Ų54.812%0.12328%0.276CS..Hα-helixtrans-97.7-35.8178.9-54.4-51.6000112T52 G72 A74 D75 K79 Y80T52-I77 WeakPolarHBondContact O-CD1 3.23Å; T52-I77 WeakPolarHBondContact O-CG1 3.39Å; G72-I77 WeakPolarHBondContact O-CG2 3.3Å; A74-I77 HydrophobicContact CB-CG1 4.4Å; A74-I77 CarbonylContact O-C 3.54Å; A74-I77 WeakPolarHBondContact O-CA 3.27Å; A74-I77 PolarHBondContact O-N 2.92Å; D75-I77 PolarHBondContact O-N 3.14Å; I77-K79 PolarHBondContact O-N 3.31Å; I77-K79 VanDerWaalsContact O-N 3.16Å; I77-Y80 WeakPolarHBondContact O-CB 3.24Å; I77-Y80 PolarHBondContact O-N 3.13Å
78K87.6Confident91.8Very high28 Ų2854 Ų5412%0.12227%0.273CS..Hα-helixtrans-51.1-41.5-179.1-73-168.5-65.1171.30113.4L28 A74 D75 Y80 W81 E110L28-K78 HydrophobicContact CD2-CD 3.7Å; A74-K78 WeakPolarHBondContact O-CG 3.4Å; A74-K78 PolarHBondContact O-N 2.9Å; D75-K78 WeakPolarHBondContact OD1-CE 3.33Å; D75-K78 IonicContact OD1-NZ 3.51Å; D75-K78 PolarHBondContact OD1-NZ 3.08Å; K78-Y80 PolarHBondContact O-N 3.16Å; K78-W81 HydrophobicContact CB-CD2 4.46Å; K78-W81 HydrophobicContact CD-CH2 4.14Å; K78-W81 HydrophobicContact CD-CZ2 4.24Å; K78-W81 HydrophobicContact CG-CD2 4.43Å; K78-W81 HydrophobicContact CG-CH2 4.02Å; K78-W81 HydrophobicContact CG-CZ2 3.67Å; K78-W81 WeakPolarHBondContact O-CB 3.23Å; K78-W81 VanDerWaalsContact O-CG 3.32Å; K78-W81 PolarHBondContact O-N 3.33Å; K78-E110 HydrophobicContact CD-CG 4.35Å; K78-E110 IonicContact NZ-OE1 3.21Å; K78-E110 PolarHBondContact NZ-OE1 3.25Å
79K86.6Confident91.8Very high136 Ų13656.7 Ų56.759%0.59129%0.285SS*.THydrogen-bonded Turntrans-59.2-14.6177.168.9-173.9-177.5-1790114.8N76 I77N76-K79 VanDerWaalsContact O-CE 3.23Å; N76-K79 WeakPolarHBondContact O-CE 3.22Å; I77-K79 PolarHBondContact O-N 3.31Å; I77-K79 VanDerWaalsContact O-N 3.16Å
80Y89Confident91.8Very high83 Ų8354.2 Ų54.233%0.32527%0.274SS..THydrogen-bonded Turntrans-103.2-3.5178.2-58.6-65.3000113.6N76 I77 K78 S82 R83 Y84N76-Y80 WeakPolarHBondContact O-CD2 3.41Å; N76-Y80 VanDerWaalsContact O-CE2 3.23Å; N76-Y80 WeakPolarHBondContact O-CE2 3.39Å; I77-Y80 WeakPolarHBondContact O-CB 3.24Å; I77-Y80 PolarHBondContact O-N 3.13Å; K78-Y80 PolarHBondContact O-N 3.16Å; Y80-S82 VanDerWaalsContact C-N 3.27Å; Y80-S82 PolarHBondContact O-N 2.87Å; Y80-R83 WeakPolarHBondContact O-CB 3.03Å; Y80-R83 PolarHBondContact O-N 2.8Å; Y80-Y84 VanDerWaalsContact O-CD2 3.23Å; Y80-Y84 WeakPolarHBondContact O-CD2 3.36Å
81W93.4Very high91.9Very high3 Ų354.1 Ų54.11%0.01127%0.274CS..G310 helixtrans-54.6-42.3-177.2-74.5-1.9000113.2I26 G27 L71 G72 K78 R83 Y84 Y85 E110I26-W81 HydrophobicContact CB-CD2 4.29Å; I26-W81 HydrophobicContact CB-CE3 4.04Å; I26-W81 HydrophobicContact CB-CH2 4.06Å; I26-W81 HydrophobicContact CB-CZ2 4.25Å; I26-W81 HydrophobicContact CB-CZ3 3.94Å; I26-W81 HydrophobicContact CD1-CE3 4.3Å; I26-W81 HydrophobicContact CD1-CZ3 4.3Å; I26-W81 HydrophobicContact CG2-CD2 4.04Å; I26-W81 HydrophobicContact CG2-CE3 4.13Å; I26-W81 HydrophobicContact CG2-CG 4.41Å; G27-W81 VanDerWaalsContact N-CH2 3.26Å; G27-W81 WeakPolarHBondContact O-CZ2 3.46Å; L71-W81 HydrophobicContact CB-CG 4.43Å; L71-W81 HydrophobicContact CD1-CB 3.87Å; L71-W81 HydrophobicContact CD1-CG 3.78Å; G72-W81 PolarHBondContact O-NE1 2.97Å; K78-W81 HydrophobicContact CB-CD2 4.46Å; K78-W81 HydrophobicContact CD-CH2 4.14Å; K78-W81 HydrophobicContact CD-CZ2 4.24Å; K78-W81 HydrophobicContact CG-CD2 4.43Å; K78-W81 HydrophobicContact CG-CH2 4.02Å; K78-W81 HydrophobicContact CG-CZ2 3.67Å; K78-W81 WeakPolarHBondContact O-CB 3.23Å; K78-W81 VanDerWaalsContact O-CG 3.32Å; K78-W81 PolarHBondContact O-N 3.33Å; W81-R83 PolarHBondContact O-N 2.97Å; W81-Y84 PolarHBondContact O-N 2.88Å; W81-Y85 HydrophobicContact CB-CE1 3.87Å; W81-Y85 WeakPolarHBondContact CB-OH 3.23Å; W81-Y85 VanDerWaalsContact O-CD1 3.29Å; W81-Y85 WeakPolarHBondContact O-CD1 3.45Å; W81-Y85 WeakPolarHBondContact O-CE1 3.38Å; W81-E110 HydrophobicContact CZ3-CB 4.13Å; W81-E110 HydrophobicContact CZ3-CG 4.31Å
82S91.9Very high92Very high54 Ų5454.1 Ų54.138%0.37827%0.274SS..G310 helixtrans-58.5-22.8179.458.10000114.2Y80 Y84 Q119Y80-S82 VanDerWaalsContact C-N 3.27Å; Y80-S82 PolarHBondContact O-N 2.87Å; S82-Y84 PolarHBondContact O-N 3.28Å; S82-Q119 PolarHBondContact O-OE1 3.05Å
83R92.3Very high92.3Very high184 Ų18454 Ų5469%0.69427%0.273SS*.G310 helixtrans-73-17176.3-57.8-174.7177.9-170.7-2.4113.1Y80 W81Y80-R83 WeakPolarHBondContact O-CB 3.03Å; Y80-R83 PolarHBondContact O-N 2.8Å; W81-R83 PolarHBondContact O-N 2.97Å
84Y93.6Very high92.8Very high77 Ų7753.9 Ų53.930%0.30227%0.271SS..THydrogen-bonded Turntrans-109.5-4.6-173.4-62.2-78.5000114F54 K69 L71 Y80 W81 S82F54-Y84 HydrophobicContact CD1-CD1 4.41Å; F54-Y84 AromaticContact CD1-CE1 3.67Å; F54-Y84 HydrophobicContact CD1-CE1 3.67Å; F54-Y84 AromaticContact CD1-CZ 3.88Å; F54-Y84 AromaticContact CE1-CE1 3.79Å; F54-Y84 HydrophobicContact CE1-CE1 3.79Å; F54-Y84 HydrophobicContact CG-CE1 4.41Å; K69-Y84 HydrophobicContact CD-CD1 4.34Å; K69-Y84 PolarHBondContact NZ-O 3.33Å; K69-Y84 VanDerWaalsContact NZ-O 3.13Å; L71-Y84 HydrophobicContact CD1-CD2 4.31Å; L71-Y84 HydrophobicContact CD1-CG 4.48Å; L71-Y84 HydrophobicContact CD2-CD2 4.13Å; L71-Y84 HydrophobicContact CD2-CG 3.96Å; Y80-Y84 VanDerWaalsContact O-CD2 3.23Å; Y80-Y84 WeakPolarHBondContact O-CD2 3.36Å; W81-Y84 PolarHBondContact O-N 2.88Å; S82-Y84 PolarHBondContact O-N 3.28Å
85Y95.7Very high93.2Very high13 Ų1352.4 Ų52.45%0.05126%0.259CS..  trans-70-29.8-178.9-67.7-12.9000113.3V24 I26 L71 W81 G87 S88 H117 Q119 L120V24-Y85 HydrophobicContact CG1-CD1 4.23Å; V24-Y85 HydrophobicContact CG2-CD1 4.31Å; I26-Y85 HydrophobicContact CD1-CE1 4.48Å; I26-Y85 HydrophobicContact CG2-CE1 4.12Å; L71-Y85 HydrophobicContact CD1-CE1 4.38Å; W81-Y85 HydrophobicContact CB-CE1 3.87Å; W81-Y85 WeakPolarHBondContact CB-OH 3.23Å; W81-Y85 VanDerWaalsContact O-CD1 3.29Å; W81-Y85 WeakPolarHBondContact O-CD1 3.45Å; W81-Y85 WeakPolarHBondContact O-CE1 3.38Å; Y85-G87 PolarHBondContact O-N 3.04Å; Y85-S88 VanDerWaalsContact O-CB 3.3Å; Y85-S88 WeakPolarHBondContact O-CB 3.29Å; Y85-S88 PolarHBondContact O-N 3.47Å; Y85-S88 VanDerWaalsContact O-N 3.12Å; Y85-S88 PolarHBondContact O-OG 3.34Å; Y85-H117 AromaticContact CD2-CE1 3.69Å; Y85-H117 AromaticContact CD2-CG 3.87Å; Y85-H117 AromaticContact CD2-ND1 3.54Å; Y85-H117 HydrophobicContact CE2-CB 4.37Å; Y85-H117 AromaticContact CE2-CG 3.94Å; Y85-Q119 VanDerWaalsContact CB-OE1 3.31Å; Y85-L120 HydrophobicContact CD1-CD1 3.88Å; Y85-L120 HydrophobicContact CD1-CD2 4.13Å; Y85-L120 HydrophobicContact CD1-CG 4.32Å; Y85-L120 HydrophobicContact CD2-CD1 3.56Å; Y85-L120 HydrophobicContact CD2-CD2 4.16Å; Y85-L120 HydrophobicContact CD2-CG 3.66Å; Y85-L120 HydrophobicContact CE1-CD1 3.83Å; Y85-L120 HydrophobicContact CE2-CD1 3.5Å; Y85-L120 HydrophobicContact CE2-CG 4.11Å; Y85-L120 HydrophobicContact CG-CD1 3.76Å; Y85-L120 HydrophobicContact CG-CD2 3.74Å; Y85-L120 HydrophobicContact CG-CG 3.78Å
86Q94.1Very high93.8Very high146 Ų14647.8 Ų47.868%0.68223%0.234SC*.THydrogen-bonded Turntrans-56.6135.5178.7-171.1173.3-18.600111.8S88Q86-S88 VanDerWaalsContact C-N 3.28Å
87G92.6Very high94.3Very high56 Ų5643.2 Ų43.258%0.57721%0.209SC*.THydrogen-bonded Turntrans85.5-8.3-178.600000114.4Y85Y85-G87 PolarHBondContact O-N 3.04Å
88S96.4Very high94.9Very high15 Ų1543 Ų4311%0.10521%0.212CC..  trans-71.5138.4177.3-460000111.1D22 Y85 Q86 L123D22-S88 CarbonylContact O-C 3.46Å; Y85-S88 VanDerWaalsContact O-CB 3.3Å; Y85-S88 WeakPolarHBondContact O-CB 3.29Å; Y85-S88 PolarHBondContact O-N 3.47Å; Y85-S88 VanDerWaalsContact O-N 3.12Å; Y85-S88 PolarHBondContact O-OG 3.34Å; Q86-S88 VanDerWaalsContact C-N 3.28Å; S88-L123 WeakPolarHBondContact O-CD1 3.28Å
89Q97.4Very high95.3Very high56 Ų5642.6 Ų42.626%0.26221%0.212SC..SBendtrans-100.3-19174.3-65.6167.3-7800112.1Y21 D22 P124 L182Y21-Q89 VanDerWaalsContact CA-OE1 3.31Å; D22-Q89 PolarHBondContact O-N 2.93Å; Q89-P124 VanDerWaalsContact O-CD 3.24Å; Q89-P124 WeakPolarHBondContact O-CD 3.21Å; Q89-L182 VanDerWaalsContact C-CD2 3.5Å; Q89-L182 HydrophobicContact CB-CD2 3.99Å; Q89-L182 WeakPolarHBondContact O-CD2 3.2Å
90G97.8Very high95.8Very high0 Ų038.7 Ų38.70%020%0.202CC..EExtended strand (participates in β ladder)trans-152.4167.2176.500000112.8V23 V24V23-G90 WeakPolarHBondContact CA-O 3.42Å; V24-G90 PolarHBondContact N-O 2.94Å; V24-G90 VanDerWaalsContact N-O 3.14Å
91V98.3Very high96.2Very high0 Ų039.9 Ų39.90%021%0.214CC..EExtended strand (participates in β ladder)trans-126.3134.2-179.4-174.80000110.2V24 I26 L120 L123 P124 F125 L126V24-V91 HydrophobicContact CG1-CB 4.46Å; V24-V91 HydrophobicContact CG1-CG1 4.21Å; V24-V91 HydrophobicContact CG1-CG2 4.07Å; I26-V91 HydrophobicContact CD1-CG1 4.22Å; I26-V91 HydrophobicContact CG1-CG1 4.2Å; V91-L120 HydrophobicContact CG2-CB 4.2Å; V91-L120 HydrophobicContact CG2-CD1 4.09Å; V91-L120 HydrophobicContact CG2-CD2 3.75Å; V91-L120 HydrophobicContact CG2-CG 4.23Å; V91-L123 HydrophobicContact CG2-CB 4.4Å; V91-L123 HydrophobicContact CG2-CD1 4.29Å; V91-P124 PolarHBondContact N-O 3.4Å; V91-F125 HydrophobicContact CB-CD1 3.78Å; V91-F125 HydrophobicContact CB-CD2 4.26Å; V91-F125 HydrophobicContact CB-CE1 3.79Å; V91-F125 HydrophobicContact CB-CE2 4.26Å; V91-F125 HydrophobicContact CB-CG 4.02Å; V91-F125 HydrophobicContact CB-CZ 4.03Å; V91-F125 HydrophobicContact CG1-CD1 3.76Å; V91-F125 HydrophobicContact CG1-CE1 3.59Å; V91-F125 HydrophobicContact CG1-CZ 4.19Å; V91-F125 HydrophobicContact CG2-CD1 4.44Å; V91-F125 HydrophobicContact CG2-CD2 4.39Å; V91-F125 HydrophobicContact CG2-CE1 4.05Å; V91-F125 HydrophobicContact CG2-CE2 3.97Å; V91-F125 HydrophobicContact CG2-CZ 3.78Å; V91-F125 CarbonylContact O-C 3.58Å; V91-F125 WeakPolarHBondContact O-CA 3.18Å; V91-L126 PolarHBondContact O-N 3.5Å
92I98.5Very high96.3Very high1 Ų147.4 Ų47.41%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-110.8117168.2-59157.4000107.2V23 V24 C25 I26 V68 V94 L126 L128 F175 L178V23-I92 HydrophobicContact CB-CD1 4.49Å; V23-I92 HydrophobicContact CG2-CD1 3.77Å; V24-I92 PolarHBondContact O-N 2.89Å; C25-I92 CarbonylContact C-O 3.48Å; C25-I92 VanDerWaalsContact CA-O 3.29Å; C25-I92 WeakPolarHBondContact CA-O 3.35Å; C25-I92 HydrophobicContact CB-CB 4.19Å; I26-I92 PolarHBondContact N-O 3.02Å; V68-I92 HydrophobicContact CG1-CD1 4.23Å; V68-I92 HydrophobicContact CG2-CD1 4.35Å; I92-V94 HydrophobicContact CG2-CG2 4.04Å; I92-L126 CarbonylContact C-O 3.46Å; I92-L126 WeakPolarHBondContact CA-O 3.42Å; I92-L126 HydrophobicContact CG1-CB 4.48Å; I92-L128 HydrophobicContact CG2-CD1 4.18Å; I92-F175 HydrophobicContact CD1-CD1 4.28Å; I92-F175 HydrophobicContact CD1-CE1 3.4Å; I92-F175 VanDerWaalsContact CD1-CE1 3.4Å; I92-F175 HydrophobicContact CD1-CZ 3.81Å; I92-F175 HydrophobicContact CG1-CE1 4.33Å; I92-F175 HydrophobicContact CG1-CZ 4.5Å; I92-F175 HydrophobicContact CG2-CZ 4.35Å; I92-L178 HydrophobicContact CD1-CD2 4.34Å; I92-L178 HydrophobicContact CG1-CD2 3.79Å
93F98.4Very high96.5Very high0 Ų048.8 Ų48.80%025%0.252CS..EExtended strand (participates in β ladder)trans-108.7119.7175.2-169.5-83.7000109.5I26 L95 A107 E110 L111 L126 I127 L128I26-F93 HydrophobicContact CD1-CD2 3.88Å; I26-F93 HydrophobicContact CD1-CE2 4.36Å; I26-F93 HydrophobicContact CG1-CD2 3.73Å; I26-F93 HydrophobicContact CG1-CE2 4.38Å; I26-F93 WeakPolarHBondContact O-CA 3.36Å; F93-L95 HydrophobicContact CD1-CD2 4.22Å; F93-L95 HydrophobicContact CE1-CB 4.15Å; F93-L95 HydrophobicContact CE1-CD2 4.24Å; F93-A107 HydrophobicContact CZ-CB 4.48Å; F93-A107 VanDerWaalsContact CZ-O 3.29Å; F93-A107 WeakPolarHBondContact CZ-O 3.4Å; F93-E110 HydrophobicContact CE2-CB 4.21Å; F93-E110 HydrophobicContact CZ-CB 4.33Å; F93-L111 HydrophobicContact CB-CD1 4.02Å; F93-L111 HydrophobicContact CD1-CB 4.32Å; F93-L111 HydrophobicContact CD1-CD1 4.2Å; F93-L111 HydrophobicContact CD1-CD2 4.33Å; F93-L111 HydrophobicContact CD2-CB 4.12Å; F93-L111 HydrophobicContact CD2-CD1 3.77Å; F93-L111 HydrophobicContact CD2-CG 4.49Å; F93-L111 HydrophobicContact CE1-CB 3.96Å; F93-L111 HydrophobicContact CE2-CB 3.78Å; F93-L111 HydrophobicContact CE2-CD1 4.32Å; F93-L111 HydrophobicContact CG-CB 4.4Å; F93-L111 HydrophobicContact CG-CD1 3.73Å; F93-L111 HydrophobicContact CG-CG 4.47Å; F93-L111 HydrophobicContact CZ-CB 3.7Å; F93-L126 PolarHBondContact N-O 3.43Å; F93-I127 HydrophobicContact CB-CG1 4.4Å; F93-I127 HydrophobicContact CD1-CG2 4.29Å; F93-I127 CarbonylContact O-C 3.56Å; F93-I127 WeakPolarHBondContact O-CA 3.37Å; F93-L128 PolarHBondContact O-N 3.37Å
94V98.3Very high96.7Very high2 Ų240 Ų401%0.01222%0.219CC..EExtended strand (participates in β ladder)trans-110.5131.4178.8-168.50000109.9I26 G27 A31 K33 L36 I92 L128 N130I26-V94 PolarHBondContact O-N 3.24Å; G27-V94 WeakPolarHBondContact CA-O 3.41Å; A31-V94 HydrophobicContact CB-CB 4.37Å; A31-V94 HydrophobicContact CB-CG1 4.17Å; A31-V94 WeakPolarHBondContact CB-O 3.44Å; A31-V94 VanDerWaalsContact O-CG1 3.27Å; A31-V94 WeakPolarHBondContact O-CG1 3.5Å; K33-V94 HydrophobicContact CG-CB 3.75Å; K33-V94 HydrophobicContact CG-CG1 4.46Å; K33-V94 HydrophobicContact CG-CG2 3.83Å; L36-V94 HydrophobicContact CD1-CG1 3.86Å; L36-V94 HydrophobicContact CD1-CG2 4.42Å; I92-V94 HydrophobicContact CG2-CG2 4.04Å; V94-L128 HydrophobicContact CG1-CB 4.36Å; V94-L128 HydrophobicContact CG2-CB 4.37Å; V94-L128 HydrophobicContact CG2-CD1 4.32Å; V94-N130 HydrophobicContact CG1-CB 3.96Å
95L98Very high96.9Very high2 Ų239.3 Ų39.31%0.0122%0.219CC..EExtended strand (participates in β ladder)trans-126.3151.2172.965.3117.6000111.4F93 L104 A107 I127 L128 A129 N130 I143 F147F93-L95 HydrophobicContact CD1-CD2 4.22Å; F93-L95 HydrophobicContact CE1-CB 4.15Å; F93-L95 HydrophobicContact CE1-CD2 4.24Å; L95-L104 HydrophobicContact CD1-CD1 4.01Å; L95-A107 HydrophobicContact CB-CB 4.37Å; L95-I127 HydrophobicContact CD2-CG2 3.7Å; L95-L128 PolarHBondContact N-O 3.35Å; L95-A129 HydrophobicContact CD1-CB 4.47Å; L95-N130 WeakPolarHBondContact O-CB 3.29Å; L95-N130 PolarHBondContact O-N 3.34Å; L95-I143 HydrophobicContact CD1-CD1 3.93Å; L95-I143 HydrophobicContact CD1-CG1 4.24Å; L95-I143 HydrophobicContact CD1-CG2 4.12Å; L95-I143 HydrophobicContact CD2-CG2 4.23Å; L95-F147 HydrophobicContact CD1-CZ 4.39Å
96D97.6Very high96.9Very high27 Ų2740.9 Ų40.914%0.14423%0.232CC..EExtended strand (participates in β ladder)trans-84.5111.2169.9-177.3-6.6000109.1A98 S99 H131 K134D96-A98 PolarHBondContact O-N 3.42Å; D96-A98 PolarHBondContact OD1-N 3.23Å; D96-S99 WeakPolarHBondContact O-CB 3.1Å; D96-S99 PolarHBondContact O-N 2.87Å; D96-S99 PolarHBondContact O-OG 3.01Å; D96-H131 IonicContact OD1-CG 2.98Å; D96-H131 IonicContact OD1-ND1 3.92Å; D96-H131 PolarHBondContact OD1-ND1 2.99Å; D96-H131 IonicContact OD2-CE1 2.74Å; D96-H131 IonicContact OD2-ND1 3.23Å; D96-H131 PolarHBondContact OD2-ND1 2.78Å; D96-K134 IonicContact OD1-NZ 3.51Å; D96-K134 IonicContact OD2-NZ 3.44Å; D96-K134 PolarHBondContact OD2-NZ 2.96Å
97S97.5Very high97.1Very high0 Ų034.1 Ų34.10%020%0.201CC..THydrogen-bonded Turntrans-68.2-19.5-177-450000113.2A129 N130 Q132 R138S97-A129 WeakPolarHBondContact OG-CA 3.38Å; S97-A129 WeakPolarHBondContact OG-CB 3.47Å; S97-A129 PolarHBondContact OG-O 2.92Å; S97-N130 VanDerWaalsContact CB-O 3.22Å; S97-N130 WeakPolarHBondContact CB-O 3.34Å; S97-N130 PolarHBondContact N-O 3.09Å; S97-N130 PolarHBondContact OG-N 3.41Å; S97-N130 PolarHBondContact OG-O 3.29Å; S97-Q132 PolarHBondContact OG-NE2 3.33Å; S97-R138 PolarHBondContact O-N 2.86Å; S97-R138 PolarHBondContact O-NH1 2.97Å
98A97.4Very high97.3Very high21 Ų2133.7 Ų33.717%0.17418%0.182CC..THydrogen-bonded Turntrans-103.611.7-179.200000112.6D96 K134 A136 A137D96-A98 PolarHBondContact O-N 3.42Å; D96-A98 PolarHBondContact OD1-N 3.23Å; A98-K134 HydrophobicContact CB-CB 3.63Å; A98-K134 HydrophobicContact CB-CD 3.61Å; A98-K134 HydrophobicContact CB-CG 4.27Å; A98-A136 HydrophobicContact CB-CB 4.2Å; A98-A137 HydrophobicContact CB-CB 4.28Å
99S96.6Very high97.3Very high19 Ų1936.9 Ų36.913%0.13320%0.198CC..SBendtrans-65.8164.9176.873.30000112D96 L104 R138D96-S99 WeakPolarHBondContact O-CB 3.1Å; D96-S99 PolarHBondContact O-N 2.87Å; D96-S99 PolarHBondContact O-OG 3.01Å; S99-L104 PolarHBondContact OG-N 2.89Å; S99-R138 PolarHBondContact O-NH1 3.08Å; S99-R138 PolarHBondContact O-NH2 2.93Å
100S97.1Very high97.3Very high54 Ų5436.4 Ų36.438%0.37820%0.196SC..  trans-55158.6168.173.30000111.2E102 D103 L104S100-E102 PolarHBondContact O-N 3.26Å; S100-D103 PolarHBondContact O-N 3.25Å; S100-D103 WeakPolarHBondContact OG-CB 3.35Å; S100-D103 PolarHBondContact OG-N 3.04Å; S100-D103 PolarHBondContact OG-OD2 3.48Å; S100-L104 WeakPolarHBondContact O-CB 3.28Å; S100-L104 PolarHBondContact O-N 2.79Å
101D96.5Very high97.3Very high108 Ų10836.4 Ų36.458%0.57820%0.196SC*.Hα-helixtrans-61.3-35.4174.9-70.2-30.9000111.4L104 E105 R138D101-L104 PolarHBondContact O-N 3.3Å; D101-E105 WeakPolarHBondContact O-CB 3.42Å; D101-E105 PolarHBondContact O-N 2.88Å; D101-R138 IonicContact OD1-CZ 3.61Å; D101-R138 IonicContact OD1-NE 2.66Å; D101-R138 IonicContact OD1-NH2 2.92Å; D101-R138 PolarHBondContact OD1-NH2 3.34Å
102E96.4Very high97.2Very high160 Ų16037.9 Ų37.975%0.74820%0.202SC*.Hα-helixtrans-64.1-45.3177.3-64177.6-17700112.3S100 L104 S106S100-E102 PolarHBondContact O-N 3.26Å; E102-L104 VanDerWaalsContact C-N 3.32Å; E102-S106 WeakPolarHBondContact O-CB 3.32Å; E102-S106 PolarHBondContact O-N 3.47Å; E102-S106 PolarHBondContact O-OG 2.94Å
103D95.8Very high97.1Very high83 Ų8341.2 Ų41.244%0.44423%0.226SC..Hα-helixtrans-67.2-36.5175.4-67.7-44.7000111.4L28 S100 S106 A107L28-D103 WeakPolarHBondContact CD1-O 3.43Å; S100-D103 PolarHBondContact O-N 3.25Å; S100-D103 WeakPolarHBondContact OG-CB 3.35Å; S100-D103 PolarHBondContact OG-N 3.04Å; S100-D103 PolarHBondContact OG-OD2 3.48Å; D103-S106 WeakPolarHBondContact O-CB 3.46Å; D103-S106 PolarHBondContact O-N 3.12Å; D103-A107 WeakPolarHBondContact O-CB 3.26Å; D103-A107 PolarHBondContact O-N 3.41Å
104L96.9Very high97Very high0 Ų041.2 Ų41.20%023%0.226CC..Hα-helixtrans-68.1-42.1179.1-165.674.8000111.5L95 S99 S100 D101 E102 S106 A107 R108 I143 Y146 F147L95-L104 HydrophobicContact CD1-CD1 4.01Å; S99-L104 PolarHBondContact OG-N 2.89Å; S100-L104 WeakPolarHBondContact O-CB 3.28Å; S100-L104 PolarHBondContact O-N 2.79Å; D101-L104 PolarHBondContact O-N 3.3Å; E102-L104 VanDerWaalsContact C-N 3.32Å; L104-S106 VanDerWaalsContact C-N 3.3Å; L104-S106 PolarHBondContact O-N 2.81Å; L104-A107 PolarHBondContact O-N 2.67Å; L104-R108 PolarHBondContact O-N 2.95Å; L104-I143 HydrophobicContact CD1-CD1 3.81Å; L104-I143 HydrophobicContact CD2-CD1 4.12Å; L104-Y146 HydrophobicContact CD2-CD1 3.88Å; L104-Y146 HydrophobicContact CD2-CE1 3.96Å; L104-Y146 HydrophobicContact CD2-CG 4.33Å; L104-Y146 HydrophobicContact CG-CD1 4.35Å; L104-Y146 HydrophobicContact CG-CE1 4.23Å; L104-F147 HydrophobicContact CD1-CE1 3.78Å; L104-F147 HydrophobicContact CD1-CZ 3.9Å; L104-F147 HydrophobicContact CD2-CE1 4.2Å; L104-F147 HydrophobicContact CG-CE1 3.75Å; L104-F147 HydrophobicContact CG-CZ 4.1Å
105E97.4Very high96.9Very high62 Ų6241.2 Ų41.229%0.2923%0.226SC..Hα-helixtrans-61.7-41.1173.3-170.365.1-163.200110.9D101 A107 R108 N109 Y146D101-E105 WeakPolarHBondContact O-CB 3.42Å; D101-E105 PolarHBondContact O-N 2.88Å; E105-A107 PolarHBondContact O-N 3.16Å; E105-R108 WeakPolarHBondContact O-CB 3.33Å; E105-R108 PolarHBondContact O-N 3Å; E105-R108 IonicContact OE1-NH1 3.93Å; E105-R108 PolarHBondContact OE1-NH1 2.83Å; E105-R108 IonicContact OE2-NH1 2.75Å; E105-N109 PolarHBondContact O-N 2.97Å; E105-N109 PolarHBondContact O-ND2 2.79Å; E105-Y146 WeakPolarHBondContact OE2-CE1 3.38Å; E105-Y146 VanDerWaalsContact OE2-CZ 3.25Å; E105-Y146 PolarHBondContact OE2-OH 2.87Å
106S96.6Very high96.7Very high47 Ų4747.1 Ų47.133%0.32925%0.253SS..Hα-helixtrans-60.6-45.6173.6-63.10000111.4E102 D103 L104 R108 N109 E110E102-S106 WeakPolarHBondContact O-CB 3.32Å; E102-S106 PolarHBondContact O-N 3.47Å; E102-S106 PolarHBondContact O-OG 2.94Å; D103-S106 WeakPolarHBondContact O-CB 3.46Å; D103-S106 PolarHBondContact O-N 3.12Å; L104-S106 VanDerWaalsContact C-N 3.3Å; L104-S106 PolarHBondContact O-N 2.81Å; S106-R108 VanDerWaalsContact C-N 3.31Å; S106-R108 PolarHBondContact O-N 3.01Å; S106-N109 PolarHBondContact O-N 3.34Å; S106-E110 WeakPolarHBondContact O-CG 3.32Å; S106-E110 PolarHBondContact O-N 2.96Å; S106-E110 VanDerWaalsContact O-N 3.1Å
107A97.3Very high96.6Very high4 Ų448.2 Ų48.23%0.03326%0.257CS..Hα-helixtrans-63.1-37.4177.100000111.9L28 F93 L95 D103 L104 E105 E110 L111 F147L28-A107 HydrophobicContact CD1-CB 3.89Å; L28-A107 HydrophobicContact CG-CB 4.13Å; F93-A107 HydrophobicContact CZ-CB 4.48Å; F93-A107 VanDerWaalsContact CZ-O 3.29Å; F93-A107 WeakPolarHBondContact CZ-O 3.4Å; L95-A107 HydrophobicContact CB-CB 4.37Å; D103-A107 WeakPolarHBondContact O-CB 3.26Å; D103-A107 PolarHBondContact O-N 3.41Å; L104-A107 PolarHBondContact O-N 2.67Å; E105-A107 PolarHBondContact O-N 3.16Å; A107-E110 PolarHBondContact O-N 2.74Å; A107-L111 PolarHBondContact O-N 3.42Å; A107-F147 HydrophobicContact CB-CE2 4.4Å; A107-F147 HydrophobicContact CB-CZ 4.19Å
108R97.6Very high96.5Very high46 Ų4653.2 Ų53.217%0.17429%0.29CS..Hα-helixtrans-59.7-51.2173.7177.1-175.6172.1-155.55.6111.4L104 E105 S106 E110 L111 H112 Y146 F147 E148L104-R108 PolarHBondContact O-N 2.95Å; E105-R108 WeakPolarHBondContact O-CB 3.33Å; E105-R108 PolarHBondContact O-N 3Å; E105-R108 IonicContact OE1-NH1 3.93Å; E105-R108 PolarHBondContact OE1-NH1 2.83Å; E105-R108 IonicContact OE2-NH1 2.75Å; S106-R108 VanDerWaalsContact C-N 3.31Å; S106-R108 PolarHBondContact O-N 3.01Å; R108-E110 VanDerWaalsContact C-N 3.28Å; R108-E110 PolarHBondContact O-N 3.44Å; R108-L111 PolarHBondContact O-N 3.26Å; R108-H112 WeakPolarHBondContact CG-NE2 2.84Å; R108-H112 WeakPolarHBondContact O-CB 3.39Å; R108-H112 PolarHBondContact O-CD2 2.87Å; R108-H112 PolarHBondContact O-N 3.2Å; R108-Y146 PolarHBondContact NE-O 2.88Å; R108-F147 HydrophobicContact CB-CD1 4.36Å; R108-F147 HydrophobicContact CB-CD2 3.77Å; R108-F147 HydrophobicContact CB-CE1 4.29Å; R108-F147 HydrophobicContact CB-CE2 3.75Å; R108-F147 HydrophobicContact CB-CG 4.11Å; R108-F147 HydrophobicContact CB-CZ 4Å; R108-F147 HydrophobicContact CG-CB 4.42Å; R108-F147 HydrophobicContact CG-CD2 4.03Å; R108-F147 HydrophobicContact CG-CG 4.1Å; R108-E148 IonicContact CZ-OE2 3.65Å; R108-E148 VanDerWaalsContact NH2-CD 3.35Å; R108-E148 IonicContact NH2-OE1 2.67Å; R108-E148 IonicContact NH2-OE2 3.92Å; R108-E148 PolarHBondContact NH2-OE2 3.15Å
109N96.6Very high96.4Very high83 Ų8355.8 Ų55.844%0.44430%0.298SS..Hα-helixtrans-59.7-39.2179.9-69.5-33.2000112.5E105 S106 S113E105-N109 PolarHBondContact O-N 2.97Å; E105-N109 PolarHBondContact O-ND2 2.79Å; S106-N109 PolarHBondContact O-N 3.34Å; N109-S113 WeakPolarHBondContact O-CB 3.42Å; N109-S113 PolarHBondContact O-N 2.81Å; N109-S113 PolarHBondContact O-OG 3Å
110E96.8Very high96.4Very high46 Ų4654.9 Ų54.922%0.21529%0.292CS..Hα-helixtrans-68.4-43.1176.6-65.3-62.1171.500112.2L28 K78 W81 F93 S106 A107 R108 S113 A114L28-E110 HydrophobicContact CD2-CG 4.02Å; K78-E110 HydrophobicContact CD-CG 4.35Å; K78-E110 IonicContact NZ-OE1 3.21Å; K78-E110 PolarHBondContact NZ-OE1 3.25Å; W81-E110 HydrophobicContact CZ3-CB 4.13Å; W81-E110 HydrophobicContact CZ3-CG 4.31Å; F93-E110 HydrophobicContact CE2-CB 4.21Å; F93-E110 HydrophobicContact CZ-CB 4.33Å; S106-E110 WeakPolarHBondContact O-CG 3.32Å; S106-E110 PolarHBondContact O-N 2.96Å; S106-E110 VanDerWaalsContact O-N 3.1Å; A107-E110 PolarHBondContact O-N 2.74Å; R108-E110 VanDerWaalsContact C-N 3.28Å; R108-E110 PolarHBondContact O-N 3.44Å; E110-S113 PolarHBondContact O-N 2.9Å; E110-A114 WeakPolarHBondContact O-CB 3.35Å; E110-A114 PolarHBondContact O-N 3.45Å
111L97.3Very high96.2Very high0 Ų054 Ų540%029%0.285CS..Hα-helixtrans-64.4-41.6176.2179.156.8000111.3F93 A107 R108 S113 A114 L115 F125 I127 F147 L149F93-L111 HydrophobicContact CB-CD1 4.02Å; F93-L111 HydrophobicContact CD1-CB 4.32Å; F93-L111 HydrophobicContact CD1-CD1 4.2Å; F93-L111 HydrophobicContact CD1-CD2 4.33Å; F93-L111 HydrophobicContact CD2-CB 4.12Å; F93-L111 HydrophobicContact CD2-CD1 3.77Å; F93-L111 HydrophobicContact CD2-CG 4.49Å; F93-L111 HydrophobicContact CE1-CB 3.96Å; F93-L111 HydrophobicContact CE2-CB 3.78Å; F93-L111 HydrophobicContact CE2-CD1 4.32Å; F93-L111 HydrophobicContact CG-CB 4.4Å; F93-L111 HydrophobicContact CG-CD1 3.73Å; F93-L111 HydrophobicContact CG-CG 4.47Å; F93-L111 HydrophobicContact CZ-CB 3.7Å; A107-L111 PolarHBondContact O-N 3.42Å; R108-L111 PolarHBondContact O-N 3.26Å; L111-S113 VanDerWaalsContact C-N 3.35Å; L111-A114 PolarHBondContact O-N 3.32Å; L111-L115 HydrophobicContact CD1-CD1 4.01Å; L111-L115 HydrophobicContact CD1-CG 3.98Å; L111-L115 HydrophobicContact CG-CD1 3.85Å; L111-L115 HydrophobicContact CG-CG 4.32Å; L111-L115 WeakPolarHBondContact O-CB 3.42Å; L111-L115 WeakPolarHBondContact O-CG 3.24Å; L111-L115 PolarHBondContact O-N 3.31Å; L111-F125 HydrophobicContact CD1-CD1 4.11Å; L111-F125 HydrophobicContact CD1-CE1 4.25Å; L111-I127 HydrophobicContact CD1-CD1 4.4Å; L111-I127 HydrophobicContact CD1-CG1 4.36Å; L111-I127 HydrophobicContact CD2-CD1 3.84Å; L111-I127 HydrophobicContact CD2-CG1 4.24Å; L111-I127 HydrophobicContact CD2-CG2 4.27Å; L111-F147 HydrophobicContact CB-CD2 4.42Å; L111-F147 HydrophobicContact CD2-CD2 3.83Å; L111-F147 HydrophobicContact CD2-CE2 4.28Å; L111-L149 HydrophobicContact CD2-CD2 3.78Å
112H97.2Very high96Very high30 Ų3053.6 Ų53.614%0.13929%0.287CS..Hα-helixtrans-59.6-47.7176.1-78.3-136000111.2R108 A114 L115 Q116 F147 L152R108-H112 WeakPolarHBondContact CG-NE2 2.84Å; R108-H112 WeakPolarHBondContact O-CB 3.39Å; R108-H112 PolarHBondContact O-CD2 2.87Å; R108-H112 PolarHBondContact O-N 3.2Å; H112-A114 VanDerWaalsContact C-N 3.32Å; H112-A114 PolarHBondContact O-N 3.28Å; H112-L115 PolarHBondContact O-N 3.24Å; H112-Q116 WeakPolarHBondContact O-CG 3.22Å; H112-Q116 PolarHBondContact O-N 3.44Å; H112-Q116 VanDerWaalsContact O-N 3.14Å; H112-F147 PolarHBondContact CE1-O 3.23Å; H112-F147 PolarHBondContact NE2-O 2.95Å; H112-L152 HydrophobicContact CB-CD2 4.18Å; H112-L152 WeakPolarHBondContact CD2-CD2 3.28Å; H112-L152 VanDerWaalsContact CG-CD2 3.47Å; H112-L152 WeakPolarHBondContact NE2-CD2 3.41Å
113S95.9Very high96Very high71 Ų7146.3 Ų46.350%0.49725%0.253SS..Hα-helixtrans-59.4-43.1176-61.60000111.6N109 E110 L111 Q116 H117N109-S113 WeakPolarHBondContact O-CB 3.42Å; N109-S113 PolarHBondContact O-N 2.81Å; N109-S113 PolarHBondContact O-OG 3Å; E110-S113 PolarHBondContact O-N 2.9Å; L111-S113 VanDerWaalsContact C-N 3.35Å; S113-Q116 PolarHBondContact O-N 2.82Å; S113-H117 WeakPolarHBondContact O-CB 3.35Å; S113-H117 PolarHBondContact O-N 2.98Å
114A96.3Very high96.1Very high1 Ų142.3 Ų42.31%0.00823%0.232CC..Hα-helixtrans-65-45.2177.300000112.6I26 E110 L111 H112 Q116 H117 L120 F125I26-A114 HydrophobicContact CD1-CB 3.72Å; E110-A114 WeakPolarHBondContact O-CB 3.35Å; E110-A114 PolarHBondContact O-N 3.45Å; L111-A114 PolarHBondContact O-N 3.32Å; H112-A114 VanDerWaalsContact C-N 3.32Å; H112-A114 PolarHBondContact O-N 3.28Å; A114-Q116 PolarHBondContact O-N 3.11Å; A114-H117 PolarHBondContact O-N 3.46Å; A114-L120 HydrophobicContact CB-CD1 4.08Å; A114-L120 WeakPolarHBondContact O-CB 3.42Å; A114-F125 HydrophobicContact CB-CE1 4.09Å; A114-F125 HydrophobicContact CB-CZ 4.47Å
115L95.7Very high96.2Very high1 Ų142.3 Ų42.31%0.00523%0.232CC..Hα-helixtrans-62.9-28179.6-77.5167.7000113.2L111 H112 C121 F125 L149 L152 A153 K156L111-L115 HydrophobicContact CD1-CD1 4.01Å; L111-L115 HydrophobicContact CD1-CG 3.98Å; L111-L115 HydrophobicContact CG-CD1 3.85Å; L111-L115 HydrophobicContact CG-CG 4.32Å; L111-L115 WeakPolarHBondContact O-CB 3.42Å; L111-L115 WeakPolarHBondContact O-CG 3.24Å; L111-L115 PolarHBondContact O-N 3.31Å; H112-L115 PolarHBondContact O-N 3.24Å; L115-C121 WeakPolarHBondContact O-CA 3.48Å; L115-C121 WeakPolarHBondContact O-CB 3.22Å; L115-F125 HydrophobicContact CD2-CD1 3.82Å; L115-F125 HydrophobicContact CD2-CD2 3.83Å; L115-F125 HydrophobicContact CD2-CE1 3.84Å; L115-F125 HydrophobicContact CD2-CE2 3.86Å; L115-F125 HydrophobicContact CD2-CG 3.82Å; L115-F125 HydrophobicContact CD2-CZ 3.87Å; L115-F125 HydrophobicContact CG-CD1 4.37Å; L115-F125 HydrophobicContact CG-CE1 4.09Å; L115-F125 HydrophobicContact CG-CZ 4.31Å; L115-L149 HydrophobicContact CD1-CD2 4.35Å; L115-L152 HydrophobicContact CD1-CD2 3.55Å; L115-L152 HydrophobicContact CD1-CG 4.19Å; L115-A153 HydrophobicContact CD1-CB 4.35Å; L115-A153 HydrophobicContact CD2-CB 4.34Å; L115-K156 HydrophobicContact CD2-CD 4.03Å; L115-K156 VanDerWaalsContact O-CE 3.31Å; L115-K156 WeakPolarHBondContact O-CE 3.47Å; L115-K156 PolarHBondContact O-NZ 3.46Å
116Q94.6Very high96.2Very high126 Ų12639.4 Ų39.459%0.58922%0.218SC*.Hα-helixtrans-94.9-14.7179.3-64.6178.24.300113.1H112 S113 A114 L152H112-Q116 WeakPolarHBondContact O-CG 3.22Å; H112-Q116 PolarHBondContact O-N 3.44Å; H112-Q116 VanDerWaalsContact O-N 3.14Å; S113-Q116 PolarHBondContact O-N 2.82Å; A114-Q116 PolarHBondContact O-N 3.11Å; Q116-L152 HydrophobicContact CG-CD1 4.44Å; Q116-L152 VanDerWaalsContact NE2-CD1 3.28Å
117H96Very high96.3Very high50 Ų5037.2 Ų37.223%0.23120%0.203CC..SBendtrans-63.8130.6-176-168.2-86000111.6Y85 S113 A114 Q119 L120 C121Y85-H117 AromaticContact CD2-CE1 3.69Å; Y85-H117 AromaticContact CD2-CG 3.87Å; Y85-H117 AromaticContact CD2-ND1 3.54Å; Y85-H117 HydrophobicContact CE2-CB 4.37Å; Y85-H117 AromaticContact CE2-CG 3.94Å; S113-H117 WeakPolarHBondContact O-CB 3.35Å; S113-H117 PolarHBondContact O-N 2.98Å; A114-H117 PolarHBondContact O-N 3.46Å; H117-Q119 PolarHBondContact ND1-N 3.47Å; H117-Q119 PolarHBondContact O-N 3.36Å; H117-L120 HydrophobicContact CB-CB 4.44Å; H117-L120 HydrophobicContact CB-CG 4.49Å; H117-L120 PolarHBondContact O-N 3.03Å; H117-C121 VanDerWaalsContact O-CB 3.24Å; H117-C121 WeakPolarHBondContact O-CB 3.45Å; H117-C121 PolarHBondContact O-N 3.12Å
118P94.4Very high96.4Very high105 Ų10537 Ų3768%0.68220%0.201SC*.THydrogen-bonded Turntrans-55-32.2-173.4-28.935000115.4
119Q95.5Very high96.4Very high75 Ų7534.9 Ų34.935%0.3519%0.193SC..THydrogen-bonded Turntrans-78.2-20178.3-66-176.4-38.100114S82 Y85 H117S82-Q119 PolarHBondContact O-OE1 3.05Å; Y85-Q119 VanDerWaalsContact CB-OE1 3.31Å; H117-Q119 PolarHBondContact ND1-N 3.47Å; H117-Q119 PolarHBondContact O-N 3.36Å
120L96.1Very high96.4Very high0 Ų030.9 Ų30.90%017%0.172CC..THydrogen-bonded Turntrans-113.5-23.8-174.6-58.2-172.9000112.9V24 Y85 V91 A114 H117 T122 L123 F125V24-L120 HydrophobicContact CG1-CD2 4.26Å; Y85-L120 HydrophobicContact CD1-CD1 3.88Å; Y85-L120 HydrophobicContact CD1-CD2 4.13Å; Y85-L120 HydrophobicContact CD1-CG 4.32Å; Y85-L120 HydrophobicContact CD2-CD1 3.56Å; Y85-L120 HydrophobicContact CD2-CD2 4.16Å; Y85-L120 HydrophobicContact CD2-CG 3.66Å; Y85-L120 HydrophobicContact CE1-CD1 3.83Å; Y85-L120 HydrophobicContact CE2-CD1 3.5Å; Y85-L120 HydrophobicContact CE2-CG 4.11Å; Y85-L120 HydrophobicContact CG-CD1 3.76Å; Y85-L120 HydrophobicContact CG-CD2 3.74Å; Y85-L120 HydrophobicContact CG-CG 3.78Å; V91-L120 HydrophobicContact CG2-CB 4.2Å; V91-L120 HydrophobicContact CG2-CD1 4.09Å; V91-L120 HydrophobicContact CG2-CD2 3.75Å; V91-L120 HydrophobicContact CG2-CG 4.23Å; A114-L120 HydrophobicContact CB-CD1 4.08Å; A114-L120 WeakPolarHBondContact O-CB 3.42Å; H117-L120 HydrophobicContact CB-CB 4.44Å; H117-L120 HydrophobicContact CB-CG 4.49Å; H117-L120 PolarHBondContact O-N 3.03Å; L120-T122 PolarHBondContact O-N 3.08Å; L120-L123 HydrophobicContact CD2-CD1 3.86Å; L120-L123 WeakPolarHBondContact O-CB 3.5Å; L120-L123 PolarHBondContact O-N 3.29Å; L120-F125 HydrophobicContact CB-CE2 4.38Å; L120-F125 HydrophobicContact CB-CZ 3.94Å; L120-F125 WeakPolarHBondContact O-CE2 3.32Å
121C93.3Very high96.4Very high35 Ų3529.9 Ų29.924%0.23617%0.167CC..THydrogen-bonded Turntrans-63.8-14.3-164.967.40000115.3L115 H117 K156L115-C121 WeakPolarHBondContact O-CA 3.48Å; L115-C121 WeakPolarHBondContact O-CB 3.22Å; H117-C121 VanDerWaalsContact O-CB 3.24Å; H117-C121 WeakPolarHBondContact O-CB 3.45Å; H117-C121 PolarHBondContact O-N 3.12Å; C121-K156 PolarHBondContact O-NZ 3.46Å
122T93.1Very high96.4Very high100 Ų10032.6 Ų32.661%0.61318%0.18SC*.THydrogen-bonded Turntrans-105.2-5.7176.161.40000113.3L120L120-T122 PolarHBondContact O-N 3.08Å
123L96.4Very high96.3Very high7 Ų735.7 Ų35.74%0.03720%0.197CC..SBendtrans-83.8153.9-178.8-54.5-173.7000110.8S88 V91 L120 F125 K185S88-L123 WeakPolarHBondContact O-CD1 3.28Å; V91-L123 HydrophobicContact CG2-CB 4.4Å; V91-L123 HydrophobicContact CG2-CD1 4.29Å; L120-L123 HydrophobicContact CD2-CD1 3.86Å; L120-L123 WeakPolarHBondContact O-CB 3.5Å; L120-L123 PolarHBondContact O-N 3.29Å; L123-F125 WeakPolarHBondContact O-CD2 3.43Å; L123-K185 VanDerWaalsContact CD2-NZ 3.32Å
124P97.4Very high96.3Very high0 Ų036 Ų360%019%0.19CC..  trans-69.9140.6169.330.9-31.9000111.1Q89 V91 R157 L178 L181 L182Q89-P124 VanDerWaalsContact O-CD 3.24Å; Q89-P124 WeakPolarHBondContact O-CD 3.21Å; V91-P124 PolarHBondContact N-O 3.4Å; P124-R157 VanDerWaalsContact CA-O 3.28Å; P124-R157 WeakPolarHBondContact CA-O 3.39Å; P124-R157 HydrophobicContact CB-CB 4.29Å; P124-L178 HydrophobicContact CB-CD1 4.08Å; P124-L178 HydrophobicContact CG-CD1 4.14Å; P124-L181 HydrophobicContact CB-CB 3.75Å; P124-L181 HydrophobicContact CB-CD1 3.89Å; P124-L181 HydrophobicContact CB-CG 4.49Å; P124-L181 HydrophobicContact CG-CB 4.25Å; P124-L182 HydrophobicContact CG-CD2 3.68Å; P124-L182 HydrophobicContact CG-CG 4.22Å
125F98.1Very high96.2Very high0 Ų042.9 Ų42.90%024%0.235CC..EExtended strand (participates in β ladder)trans-111.6128.9177.3-80.3-113.9000111.2V91 L111 A114 L115 L120 L123 I127 R157 W158 I159V91-F125 HydrophobicContact CB-CD1 3.78Å; V91-F125 HydrophobicContact CB-CD2 4.26Å; V91-F125 HydrophobicContact CB-CE1 3.79Å; V91-F125 HydrophobicContact CB-CE2 4.26Å; V91-F125 HydrophobicContact CB-CG 4.02Å; V91-F125 HydrophobicContact CB-CZ 4.03Å; V91-F125 HydrophobicContact CG1-CD1 3.76Å; V91-F125 HydrophobicContact CG1-CE1 3.59Å; V91-F125 HydrophobicContact CG1-CZ 4.19Å; V91-F125 HydrophobicContact CG2-CD1 4.44Å; V91-F125 HydrophobicContact CG2-CD2 4.39Å; V91-F125 HydrophobicContact CG2-CE1 4.05Å; V91-F125 HydrophobicContact CG2-CE2 3.97Å; V91-F125 HydrophobicContact CG2-CZ 3.78Å; V91-F125 CarbonylContact O-C 3.58Å; V91-F125 WeakPolarHBondContact O-CA 3.18Å; L111-F125 HydrophobicContact CD1-CD1 4.11Å; L111-F125 HydrophobicContact CD1-CE1 4.25Å; A114-F125 HydrophobicContact CB-CE1 4.09Å; A114-F125 HydrophobicContact CB-CZ 4.47Å; L115-F125 HydrophobicContact CD2-CD1 3.82Å; L115-F125 HydrophobicContact CD2-CD2 3.83Å; L115-F125 HydrophobicContact CD2-CE1 3.84Å; L115-F125 HydrophobicContact CD2-CE2 3.86Å; L115-F125 HydrophobicContact CD2-CG 3.82Å; L115-F125 HydrophobicContact CD2-CZ 3.87Å; L115-F125 HydrophobicContact CG-CD1 4.37Å; L115-F125 HydrophobicContact CG-CE1 4.09Å; L115-F125 HydrophobicContact CG-CZ 4.31Å; L120-F125 HydrophobicContact CB-CE2 4.38Å; L120-F125 HydrophobicContact CB-CZ 3.94Å; L120-F125 WeakPolarHBondContact O-CE2 3.32Å; L123-F125 WeakPolarHBondContact O-CD2 3.43Å; F125-I127 HydrophobicContact CB-CG1 4.47Å; F125-R157 PolarHBondContact N-O 3.04Å; F125-W158 HydrophobicContact CB-CB 3.91Å; F125-W158 CarbonylContact O-C 3.59Å; F125-W158 WeakPolarHBondContact O-CA 3.27Å; F125-I159 PolarHBondContact O-N 3.02Å
126L98.4Very high96.2Very high0 Ų046.1 Ų46.10%026%0.261CS..EExtended strand (participates in β ladder)trans-101.6115.7161.4173.158.4000108.6V91 I92 F93 L128 I159 F175 L178V91-L126 PolarHBondContact O-N 3.5Å; I92-L126 CarbonylContact C-O 3.46Å; I92-L126 WeakPolarHBondContact CA-O 3.42Å; I92-L126 HydrophobicContact CG1-CB 4.48Å; F93-L126 PolarHBondContact N-O 3.43Å; L126-L128 HydrophobicContact CD1-CD2 3.95Å; L126-L128 HydrophobicContact CD1-CG 4.41Å; L126-L128 HydrophobicContact CD2-CD1 4.43Å; L126-L128 HydrophobicContact CD2-CD2 4.33Å; L126-L128 HydrophobicContact CD2-CG 4.4Å; L126-L128 HydrophobicContact CG-CD2 4.12Å; L126-L128 HydrophobicContact CG-CG 4.09Å; L126-I159 HydrophobicContact CD1-CB 4.06Å; L126-I159 HydrophobicContact CD1-CG2 3.84Å; L126-F175 HydrophobicContact CD2-CD2 3.73Å; L126-F175 HydrophobicContact CD2-CE2 4.02Å; L126-F175 HydrophobicContact CD2-CG 4.05Å; L126-L178 HydrophobicContact CB-CB 4.2Å; L126-L178 HydrophobicContact CB-CD1 4.17Å; L126-L178 HydrophobicContact CB-CD2 3.88Å; L126-L178 HydrophobicContact CB-CG 4.3Å; L126-L178 HydrophobicContact CD2-CB 4.23Å; L126-L178 HydrophobicContact CD2-CD2 4.16Å
127I98.5Very high96.4Very high1 Ų141.3 Ų41.31%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-104.7119.9177.8-53.9160.2000108F93 L95 L111 F125 L149 W158 I159 L160 E161F93-I127 HydrophobicContact CB-CG1 4.4Å; F93-I127 HydrophobicContact CD1-CG2 4.29Å; F93-I127 CarbonylContact O-C 3.56Å; F93-I127 WeakPolarHBondContact O-CA 3.37Å; L95-I127 HydrophobicContact CD2-CG2 3.7Å; L111-I127 HydrophobicContact CD1-CD1 4.4Å; L111-I127 HydrophobicContact CD1-CG1 4.36Å; L111-I127 HydrophobicContact CD2-CD1 3.84Å; L111-I127 HydrophobicContact CD2-CG1 4.24Å; L111-I127 HydrophobicContact CD2-CG2 4.27Å; F125-I127 HydrophobicContact CB-CG1 4.47Å; I127-L149 HydrophobicContact CD1-CD1 3.88Å; I127-L149 HydrophobicContact CD1-CD2 4.41Å; I127-W158 HydrophobicContact CD1-CE3 4.38Å; I127-I159 WeakPolarHBondContact CB-O 3.32Å; I127-I159 PolarHBondContact N-O 2.97Å; I127-L160 HydrophobicContact CB-CB 4.49Å; I127-L160 HydrophobicContact CB-CD1 3.83Å; I127-L160 HydrophobicContact CG2-CD1 3.54Å; I127-L160 WeakPolarHBondContact O-CA 3.34Å; I127-E161 PolarHBondContact O-N 3.22Å
128L98.5Very high96.4Very high1 Ų141.1 Ų41.11%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-108.1109.8-179.4-66.6177.2000109.9L36 I92 F93 V94 L95 L126 N130 E161 F175L36-L128 HydrophobicContact CD1-CD1 4.15Å; I92-L128 HydrophobicContact CG2-CD1 4.18Å; F93-L128 PolarHBondContact O-N 3.37Å; V94-L128 HydrophobicContact CG1-CB 4.36Å; V94-L128 HydrophobicContact CG2-CB 4.37Å; V94-L128 HydrophobicContact CG2-CD1 4.32Å; L95-L128 PolarHBondContact N-O 3.35Å; L126-L128 HydrophobicContact CD1-CD2 3.95Å; L126-L128 HydrophobicContact CD1-CG 4.41Å; L126-L128 HydrophobicContact CD2-CD1 4.43Å; L126-L128 HydrophobicContact CD2-CD2 4.33Å; L126-L128 HydrophobicContact CD2-CG 4.4Å; L126-L128 HydrophobicContact CG-CD2 4.12Å; L126-L128 HydrophobicContact CG-CG 4.09Å; L128-N130 PolarHBondContact O-N 2.88Å; L128-E161 HydrophobicContact CD2-CB 4.49Å; L128-F175 HydrophobicContact CD1-CE2 3.79Å; L128-F175 HydrophobicContact CD1-CZ 4.48Å
129A98.1Very high96.6Very high0 Ų038 Ų380%022%0.223CC..EExtended strand (participates in β ladder)trans-80.786.3168.300000108.4L95 S97 Q132 L160 E161 G162 C163L95-A129 HydrophobicContact CD1-CB 4.47Å; S97-A129 WeakPolarHBondContact OG-CA 3.38Å; S97-A129 WeakPolarHBondContact OG-CB 3.47Å; S97-A129 PolarHBondContact OG-O 2.92Å; A129-Q132 WeakPolarHBondContact O-CG 3.14Å; A129-L160 HydrophobicContact CB-CD1 4.33Å; A129-E161 PolarHBondContact N-O 2.99Å; A129-G162 WeakPolarHBondContact O-CA 3.2Å; A129-C163 PolarHBondContact O-N 3.26Å
130N97.7Very high96.7Very high0 Ų035.8 Ų35.80%022%0.215CC..EExtended strand (participates in β ladder)trans-80.7167.5-173.9-16925.7000112.1A31 L36 V94 L95 S97 L128 C163A31-N130 PolarHBondContact O-ND2 2.98Å; L36-N130 HydrophobicContact CD1-CB 4.43Å; V94-N130 HydrophobicContact CG1-CB 3.96Å; L95-N130 WeakPolarHBondContact O-CB 3.29Å; L95-N130 PolarHBondContact O-N 3.34Å; S97-N130 VanDerWaalsContact CB-O 3.22Å; S97-N130 WeakPolarHBondContact CB-O 3.34Å; S97-N130 PolarHBondContact N-O 3.09Å; S97-N130 PolarHBondContact OG-N 3.41Å; S97-N130 PolarHBondContact OG-O 3.29Å; L128-N130 PolarHBondContact O-N 2.88Å; N130-C163 CarbonylContact C-O 3.42Å; N130-C163 WeakPolarHBondContact CA-O 3.33Å; N130-C163 VanDerWaalsContact CA-SG 3.59Å; N130-C163 PolarHBondContact OD1-O 2.95Å
131H96.8Very high96.7Very high24 Ų2441.3 Ų41.311%0.11125%0.245CC..  trans63.636.3-179.1-51.5152.6000114.7G30 D96 D133 K134 A137 C163G30-H131 PolarHBondContact O-CE1 2.84Å; D96-H131 IonicContact OD1-CG 2.98Å; D96-H131 IonicContact OD1-ND1 3.92Å; D96-H131 PolarHBondContact OD1-ND1 2.99Å; D96-H131 IonicContact OD2-CE1 2.74Å; D96-H131 IonicContact OD2-ND1 3.23Å; D96-H131 PolarHBondContact OD2-ND1 2.78Å; H131-D133 VanDerWaalsContact C-OD1 3.32Å; H131-D133 VanDerWaalsContact CA-OD1 3.29Å; H131-D133 WeakPolarHBondContact CA-OD1 3.35Å; H131-D133 PolarHBondContact O-N 3.3Å; H131-D133 VanDerWaalsContact O-N 3.12Å; H131-K134 HydrophobicContact CB-CD 3.75Å; H131-K134 HydrophobicContact CB-CG 4.09Å; H131-K134 PolarHBondContact ND1-NZ 3.21Å; H131-K134 VanDerWaalsContact ND1-NZ 3.13Å; H131-K134 PolarHBondContact O-N 3.41Å; H131-K134 VanDerWaalsContact O-N 3.07Å; H131-A137 WeakPolarHBondContact O-CB 3.37Å; H131-C163 PolarHBondContact N-O 2.8Å
132Q97.4Very high96.9Very high58 Ų5845 Ų4527%0.27126%0.258SS..THydrogen-bonded Turntrans-63.1-11.2175.3-68.1-68.6-52.200114S97 A129 K134 R138 C163 T164S97-Q132 PolarHBondContact OG-NE2 3.33Å; A129-Q132 WeakPolarHBondContact O-CG 3.14Å; Q132-K134 VanDerWaalsContact C-N 3.33Å; Q132-R138 PolarHBondContact NE2-O 3.44Å; Q132-C163 PolarHBondContact N-O 3.1Å; Q132-C163 VanDerWaalsContact N-O 3.15Å; Q132-T164 HydrophobicContact CB-CG2 3.9Å
133D95.1Very high97.1Very high94 Ų9440.2 Ų40.250%0.50323%0.229SC..THydrogen-bonded Turntrans-73.5-20.6172.255.3-72.7000113.4H131 T164H131-D133 VanDerWaalsContact C-OD1 3.32Å; H131-D133 VanDerWaalsContact CA-OD1 3.29Å; H131-D133 WeakPolarHBondContact CA-OD1 3.35Å; H131-D133 PolarHBondContact O-N 3.3Å; H131-D133 VanDerWaalsContact O-N 3.12Å; D133-T164 HydrophobicContact CB-CG2 3.91Å; D133-T164 WeakPolarHBondContact OD1-CG2 3.43Å
134K95.7Very high97.1Very high79 Ų7942.6 Ų42.634%0.34324%0.239SC..SBendtrans-78.6140.8-177.2-67.7180-175.6173.50111.3D96 A98 H131 Q132 A136 A137D96-K134 IonicContact OD1-NZ 3.51Å; D96-K134 IonicContact OD2-NZ 3.44Å; D96-K134 PolarHBondContact OD2-NZ 2.96Å; A98-K134 HydrophobicContact CB-CB 3.63Å; A98-K134 HydrophobicContact CB-CD 3.61Å; A98-K134 HydrophobicContact CB-CG 4.27Å; H131-K134 HydrophobicContact CB-CD 3.75Å; H131-K134 HydrophobicContact CB-CG 4.09Å; H131-K134 PolarHBondContact ND1-NZ 3.21Å; H131-K134 VanDerWaalsContact ND1-NZ 3.13Å; H131-K134 PolarHBondContact O-N 3.41Å; H131-K134 VanDerWaalsContact O-N 3.07Å; Q132-K134 VanDerWaalsContact C-N 3.33Å; K134-A136 PolarHBondContact O-N 2.88Å; K134-A136 VanDerWaalsContact O-N 3.13Å; K134-A137 WeakPolarHBondContact O-CB 3.37Å; K134-A137 PolarHBondContact O-N 3.38Å
135P94.2Very high97.1Very high145 Ų14550 Ų5094%0.94227%0.272SS*.THydrogen-bonded Turntrans-58.9-29.4-179.9-26.634.2000115.3A137P135-A137 VanDerWaalsContact C-N 3.29Å
136A95.5Very high97Very high69 Ų6954.2 Ų54.257%0.5729%0.288SS*.THydrogen-bonded Turntrans-86.63.9178.300000113.3A98 K134 R138A98-A136 HydrophobicContact CB-CB 4.2Å; K134-A136 PolarHBondContact O-N 2.88Å; K134-A136 VanDerWaalsContact O-N 3.13Å; A136-R138 PolarHBondContact O-N 3.32Å
137A97.3Very high97Very high24 Ų2454.2 Ų54.220%0.19829%0.288CS..PPolyproline II helixtrans-65.6125.5-176.700000111.6A98 H131 K134 P135A98-A137 HydrophobicContact CB-CB 4.28Å; H131-A137 WeakPolarHBondContact O-CB 3.37Å; K134-A137 WeakPolarHBondContact O-CB 3.37Å; K134-A137 PolarHBondContact O-N 3.38Å; P135-A137 VanDerWaalsContact C-N 3.29Å
138R98Very high96.9Very high47 Ų4758.8 Ų58.818%0.17731%0.309CS..PPolyproline II helixtrans-77.4131.7171.4-61.4173.9-16785-7.2109S97 S99 D101 Q132 A136 Q142 I143S97-R138 PolarHBondContact O-N 2.86Å; S97-R138 PolarHBondContact O-NH1 2.97Å; S99-R138 PolarHBondContact O-NH1 3.08Å; S99-R138 PolarHBondContact O-NH2 2.93Å; D101-R138 IonicContact OD1-CZ 3.61Å; D101-R138 IonicContact OD1-NE 2.66Å; D101-R138 IonicContact OD1-NH2 2.92Å; D101-R138 PolarHBondContact OD1-NH2 3.34Å; Q132-R138 PolarHBondContact NE2-O 3.44Å; A136-R138 PolarHBondContact O-N 3.32Å; R138-Q142 HydrophobicContact CB-CB 4.33Å; R138-I143 HydrophobicContact CB-CD1 3.73Å; R138-I143 HydrophobicContact CB-CG1 4.11Å
139A97.5Very high96.6Very high38 Ų3858.8 Ų58.831%0.31431%0.309SS..PPolyproline II helixtrans-63.5152.2177.500000110.7N141 Q142 I143A139-N141 PolarHBondContact O-N 2.83Å; A139-N141 VanDerWaalsContact O-N 3.07Å; A139-Q142 HydrophobicContact CB-CG 4.47Å; A139-Q142 WeakPolarHBondContact O-CA 3.38Å; A139-Q142 WeakPolarHBondContact O-CB 3.31Å; A139-Q142 PolarHBondContact O-N 2.99Å; A139-I143 PolarHBondContact O-N 3.14Å; A139-I143 VanDerWaalsContact O-N 3.11Å
140P96.9Very high96.3Very high29 Ų2963 Ų6319%0.18833%0.329CS..Hα-helixtrans-51.1-37.9178.8-30.536.7000113.6Q142 I143 K144 L160P140-Q142 VanDerWaalsContact C-N 3.32Å; P140-Q142 PolarHBondContact O-N 2.82Å; P140-I143 PolarHBondContact O-N 3.13Å; P140-K144 WeakPolarHBondContact O-CB 3.44Å; P140-K144 PolarHBondContact O-N 3.23Å; P140-L160 HydrophobicContact CB-CD2 4.35Å; P140-L160 HydrophobicContact CB-CG 4.24Å; P140-L160 VanDerWaalsContact O-CD2 3.3Å; P140-L160 WeakPolarHBondContact O-CD2 3.41Å
141N96.9Very high96Very high117 Ų11767.4 Ų67.463%0.62636%0.357SS*.Hα-helixtrans-65.1-31.1176.3-73.7-29.7000114.1A139 K145A139-N141 PolarHBondContact O-N 2.83Å; A139-N141 VanDerWaalsContact O-N 3.07Å; N141-K145 WeakPolarHBondContact O-CG 3.38Å; N141-K145 PolarHBondContact O-N 2.7Å
142Q97.2Very high95.6Very high112 Ų11267.9 Ų67.952%0.52336%0.361SS..Hα-helixtrans-74-43.8175-65.9172.6-53.200110.2R138 A139 P140 K144 K145 Y146R138-Q142 HydrophobicContact CB-CB 4.33Å; A139-Q142 HydrophobicContact CB-CG 4.47Å; A139-Q142 WeakPolarHBondContact O-CA 3.38Å; A139-Q142 WeakPolarHBondContact O-CB 3.31Å; A139-Q142 PolarHBondContact O-N 2.99Å; P140-Q142 VanDerWaalsContact C-N 3.32Å; P140-Q142 PolarHBondContact O-N 2.82Å; Q142-K144 PolarHBondContact O-N 3.15Å; Q142-K145 PolarHBondContact O-N 2.93Å; Q142-Y146 WeakPolarHBondContact O-CB 3.22Å; Q142-Y146 PolarHBondContact O-N 3.39Å
143I97.6Very high95.2Very high0 Ų065.2 Ų65.20%035%0.349CS..Hα-helixtrans-57.6-48.8173.5-63.1-58.7000110.5L95 L104 R138 A139 P140 K145 Y146 F147 L160L95-I143 HydrophobicContact CD1-CD1 3.93Å; L95-I143 HydrophobicContact CD1-CG1 4.24Å; L95-I143 HydrophobicContact CD1-CG2 4.12Å; L95-I143 HydrophobicContact CD2-CG2 4.23Å; L104-I143 HydrophobicContact CD1-CD1 3.81Å; L104-I143 HydrophobicContact CD2-CD1 4.12Å; R138-I143 HydrophobicContact CB-CD1 3.73Å; R138-I143 HydrophobicContact CB-CG1 4.11Å; A139-I143 PolarHBondContact O-N 3.14Å; A139-I143 VanDerWaalsContact O-N 3.11Å; P140-I143 PolarHBondContact O-N 3.13Å; I143-K145 VanDerWaalsContact C-N 3.3Å; I143-K145 PolarHBondContact O-N 2.98Å; I143-Y146 PolarHBondContact O-N 3.2Å; I143-F147 HydrophobicContact CD1-CE1 4.22Å; I143-F147 HydrophobicContact CG2-CD1 3.76Å; I143-F147 HydrophobicContact CG2-CE1 3.86Å; I143-F147 HydrophobicContact CG2-CG 4.27Å; I143-F147 HydrophobicContact CG2-CZ 4.4Å; I143-F147 WeakPolarHBondContact O-CB 3.29Å; I143-F147 WeakPolarHBondContact O-CD1 3.39Å; I143-F147 PolarHBondContact O-N 2.92Å; I143-L160 HydrophobicContact CG2-CD1 4.42Å; I143-L160 HydrophobicContact CG2-CD2 4.47Å
144K97.3Very high94.9Very high56 Ų5671.1 Ų71.124%0.24336%0.364CS..Hα-helixtrans-51.1-48.3178.1-164.5-166.4-165.6-155.50112.5P140 Q142 E148 L149 E150 W158 L160P140-K144 WeakPolarHBondContact O-CB 3.44Å; P140-K144 PolarHBondContact O-N 3.23Å; Q142-K144 PolarHBondContact O-N 3.15Å; K144-E148 PolarHBondContact O-N 3.05Å; K144-L149 HydrophobicContact CG-CB 4.33Å; K144-L149 HydrophobicContact CG-CD1 4.43Å; K144-L149 PolarHBondContact O-N 2.92Å; K144-L149 VanDerWaalsContact O-N 3.14Å; K144-E150 VanDerWaalsContact CD-OE1 3.25Å; K144-E150 WeakPolarHBondContact CD-OE1 3.35Å; K144-E150 VanDerWaalsContact CE-CD 3.48Å; K144-E150 WeakPolarHBondContact CE-OE1 3.41Å; K144-E150 IonicContact NZ-OE1 3.89Å; K144-E150 PolarHBondContact NZ-OE1 3.48Å; K144-W158 HydrophobicContact CG-CH2 4.32Å; K144-L160 HydrophobicContact CB-CD2 3.69Å; K144-L160 HydrophobicContact CG-CD2 4.17Å
145K96.9Very high94.5Very high157 Ų15771.4 Ų71.468%0.68339%0.39SS*.Hα-helixtrans-68.6-48.4178.9-71.5176.8-178.1-177.10111.7N141 Q142 I143 F147 E148N141-K145 WeakPolarHBondContact O-CG 3.38Å; N141-K145 PolarHBondContact O-N 2.7Å; Q142-K145 PolarHBondContact O-N 2.93Å; I143-K145 VanDerWaalsContact C-N 3.3Å; I143-K145 PolarHBondContact O-N 2.98Å; K145-F147 VanDerWaalsContact C-N 3.29Å; K145-F147 PolarHBondContact O-N 2.95Å; K145-E148 PolarHBondContact O-N 3.23Å; K145-E148 VanDerWaalsContact O-N 3.07Å
146Y96.6Very high94.3Very high87 Ų8767.2 Ų67.234%0.34136%0.356SS..Hα-helixtrans-61.4-39-178.3-173.7-89.4000112L104 E105 R108 Q142 I143 E148L104-Y146 HydrophobicContact CD2-CD1 3.88Å; L104-Y146 HydrophobicContact CD2-CE1 3.96Å; L104-Y146 HydrophobicContact CD2-CG 4.33Å; L104-Y146 HydrophobicContact CG-CD1 4.35Å; L104-Y146 HydrophobicContact CG-CE1 4.23Å; E105-Y146 WeakPolarHBondContact OE2-CE1 3.38Å; E105-Y146 VanDerWaalsContact OE2-CZ 3.25Å; E105-Y146 PolarHBondContact OE2-OH 2.87Å; R108-Y146 PolarHBondContact NE-O 2.88Å; Q142-Y146 WeakPolarHBondContact O-CB 3.22Å; Q142-Y146 PolarHBondContact O-N 3.39Å; I143-Y146 PolarHBondContact O-N 3.2Å; Y146-E148 VanDerWaalsContact C-N 3.27Å; Y146-E148 PolarHBondContact O-N 3.28Å
147F97Very high94.3Very high0 Ų067.5 Ų67.50%034%0.343CS..THydrogen-bonded Turntrans-83.8-3.1179-75.357.6000112.6L95 L104 A107 R108 L111 H112 I143 K145 L149L95-F147 HydrophobicContact CD1-CZ 4.39Å; L104-F147 HydrophobicContact CD1-CE1 3.78Å; L104-F147 HydrophobicContact CD1-CZ 3.9Å; L104-F147 HydrophobicContact CD2-CE1 4.2Å; L104-F147 HydrophobicContact CG-CE1 3.75Å; L104-F147 HydrophobicContact CG-CZ 4.1Å; A107-F147 HydrophobicContact CB-CE2 4.4Å; A107-F147 HydrophobicContact CB-CZ 4.19Å; R108-F147 HydrophobicContact CB-CD1 4.36Å; R108-F147 HydrophobicContact CB-CD2 3.77Å; R108-F147 HydrophobicContact CB-CE1 4.29Å; R108-F147 HydrophobicContact CB-CE2 3.75Å; R108-F147 HydrophobicContact CB-CG 4.11Å; R108-F147 HydrophobicContact CB-CZ 4Å; R108-F147 HydrophobicContact CG-CB 4.42Å; R108-F147 HydrophobicContact CG-CD2 4.03Å; R108-F147 HydrophobicContact CG-CG 4.1Å; L111-F147 HydrophobicContact CB-CD2 4.42Å; L111-F147 HydrophobicContact CD2-CD2 3.83Å; L111-F147 HydrophobicContact CD2-CE2 4.28Å; H112-F147 PolarHBondContact CE1-O 3.23Å; H112-F147 PolarHBondContact NE2-O 2.95Å; I143-F147 HydrophobicContact CD1-CE1 4.22Å; I143-F147 HydrophobicContact CG2-CD1 3.76Å; I143-F147 HydrophobicContact CG2-CE1 3.86Å; I143-F147 HydrophobicContact CG2-CG 4.27Å; I143-F147 HydrophobicContact CG2-CZ 4.4Å; I143-F147 WeakPolarHBondContact O-CB 3.29Å; I143-F147 WeakPolarHBondContact O-CD1 3.39Å; I143-F147 PolarHBondContact O-N 2.92Å; K145-F147 VanDerWaalsContact C-N 3.29Å; K145-F147 PolarHBondContact O-N 2.95Å; F147-L149 VanDerWaalsContact C-N 3.26Å; F147-L149 HydrophobicContact CB-CD2 3.74Å; F147-L149 HydrophobicContact CB-CG 3.81Å; F147-L149 PolarHBondContact O-N 3.07Å
148E96.1Very high94.2Very high98 Ų9869.3 Ų69.346%0.45834%0.344SS..THydrogen-bonded Turntrans5244-179.8-58.6175.4138.200112.4R108 K144 K145 Y146 E150 P151 L152R108-E148 IonicContact CZ-OE2 3.65Å; R108-E148 VanDerWaalsContact NH2-CD 3.35Å; R108-E148 IonicContact NH2-OE1 2.67Å; R108-E148 IonicContact NH2-OE2 3.92Å; R108-E148 PolarHBondContact NH2-OE2 3.15Å; K144-E148 PolarHBondContact O-N 3.05Å; K145-E148 PolarHBondContact O-N 3.23Å; K145-E148 VanDerWaalsContact O-N 3.07Å; Y146-E148 VanDerWaalsContact C-N 3.27Å; Y146-E148 PolarHBondContact O-N 3.28Å; E148-E150 PolarHBondContact O-N 3.19Å; E148-P151 HydrophobicContact CB-CG 3.99Å; E148-P151 WeakPolarHBondContact O-CD 3.41Å; E148-P151 VanDerWaalsContact O-CG 3.27Å; E148-P151 WeakPolarHBondContact O-CG 3.42Å; E148-L152 WeakPolarHBondContact O-CB 3.34Å; E148-L152 PolarHBondContact O-N 2.72Å; E148-L152 VanDerWaalsContact O-N 3.17Å
149L93.3Very high94.2Very high1 Ų168.1 Ų68.11%0.00534%0.341CS..Hα-helixtrans-67.9-36.1-171.9-63.5-176.9000113L111 L115 I127 K144 F147 A153 W158 L160L111-L149 HydrophobicContact CD2-CD2 3.78Å; L115-L149 HydrophobicContact CD1-CD2 4.35Å; I127-L149 HydrophobicContact CD1-CD1 3.88Å; I127-L149 HydrophobicContact CD1-CD2 4.41Å; K144-L149 HydrophobicContact CG-CB 4.33Å; K144-L149 HydrophobicContact CG-CD1 4.43Å; K144-L149 PolarHBondContact O-N 2.92Å; K144-L149 VanDerWaalsContact O-N 3.14Å; F147-L149 VanDerWaalsContact C-N 3.26Å; F147-L149 HydrophobicContact CB-CD2 3.74Å; F147-L149 HydrophobicContact CB-CG 3.81Å; F147-L149 PolarHBondContact O-N 3.07Å; L149-A153 WeakPolarHBondContact O-CA 3.49Å; L149-A153 VanDerWaalsContact O-CB 3.28Å; L149-A153 WeakPolarHBondContact O-CB 3.48Å; L149-A153 PolarHBondContact O-N 2.96Å; L149-W158 HydrophobicContact CB-CH2 4.21Å; L149-W158 HydrophobicContact CB-CZ2 4.27Å; L149-W158 HydrophobicContact CD1-CZ3 4.26Å; L149-L160 HydrophobicContact CD1-CD2 3.97Å
150E91.8Very high94.2Very high88 Ų8867.3 Ų67.341%0.41133%0.332SS..Hα-helixtrans-59.3-51.8178.6-66.7103.415500113.9K144 E148 R154K144-E150 VanDerWaalsContact CD-OE1 3.25Å; K144-E150 WeakPolarHBondContact CD-OE1 3.35Å; K144-E150 VanDerWaalsContact CE-CD 3.48Å; K144-E150 WeakPolarHBondContact CE-OE1 3.41Å; K144-E150 IonicContact NZ-OE1 3.89Å; K144-E150 PolarHBondContact NZ-OE1 3.48Å; E148-E150 PolarHBondContact O-N 3.19Å; E150-R154 PolarHBondContact O-N 3.31Å
151P92.1Very high94.2Very high92 Ų9269.5 Ų69.560%0.59734%0.339SS*.Hα-helixtrans-69.5-42.1177.325.5-33.9000112.3E148 R154E148-P151 HydrophobicContact CB-CG 3.99Å; E148-P151 WeakPolarHBondContact O-CD 3.41Å; E148-P151 VanDerWaalsContact O-CG 3.27Å; E148-P151 WeakPolarHBondContact O-CG 3.42Å; P151-R154 WeakPolarHBondContact O-CB 3.43Å
152L87.9Confident94.2Very high34 Ų3464.9 Ų64.918%0.17832%0.319CS..Hα-helixtrans-69.4-42.5-174.2179.373.4000113.2H112 L115 Q116 E148 R154H112-L152 HydrophobicContact CB-CD2 4.18Å; H112-L152 WeakPolarHBondContact CD2-CD2 3.28Å; H112-L152 VanDerWaalsContact CG-CD2 3.47Å; H112-L152 WeakPolarHBondContact NE2-CD2 3.41Å; L115-L152 HydrophobicContact CD1-CD2 3.55Å; L115-L152 HydrophobicContact CD1-CG 4.19Å; Q116-L152 HydrophobicContact CG-CD1 4.44Å; Q116-L152 VanDerWaalsContact NE2-CD1 3.28Å; E148-L152 WeakPolarHBondContact O-CB 3.34Å; E148-L152 PolarHBondContact O-N 2.72Å; E148-L152 VanDerWaalsContact O-N 3.17Å; L152-R154 VanDerWaalsContact C-N 3.34Å
153A87.8Confident94.2Very high2 Ų259.7 Ų59.72%0.01730%0.295CS..THydrogen-bonded Turntrans-100.622.6-176.700000112.2L115 L149 G155 K156 W158L115-A153 HydrophobicContact CD1-CB 4.35Å; L115-A153 HydrophobicContact CD2-CB 4.34Å; L149-A153 WeakPolarHBondContact O-CA 3.49Å; L149-A153 VanDerWaalsContact O-CB 3.28Å; L149-A153 WeakPolarHBondContact O-CB 3.48Å; L149-A153 PolarHBondContact O-N 2.96Å; A153-G155 PolarHBondContact O-N 2.86Å; A153-K156 HydrophobicContact CB-CB 4.29Å; A153-K156 HydrophobicContact CB-CD 4.19Å; A153-K156 WeakPolarHBondContact O-CB 3.41Å; A153-K156 PolarHBondContact O-N 3.34Å; A153-W158 VanDerWaalsContact CB-CD1 3.42Å; A153-W158 HydrophobicContact CB-CG 4.19Å; A153-W158 PolarHBondContact O-NE1 2.94Å
154R89.4Confident94.1Very high218 Ų21860.7 Ų60.782%0.82330%0.302SS*.THydrogen-bonded Turntrans-57.5126.7175.4-173.1175.5-179.6166.21110.5E150 P151 L152 K156E150-R154 PolarHBondContact O-N 3.31Å; P151-R154 WeakPolarHBondContact O-CB 3.43Å; L152-R154 VanDerWaalsContact C-N 3.34Å; R154-K156 PolarHBondContact O-N 3.39Å
155G86.8Confident93.6Very high86 Ų8659.3 Ų59.389%0.88730%0.298SS*.THydrogen-bonded Turntrans75.61.7-177.800000114.6A153A153-G155 PolarHBondContact O-N 2.86Å
156K91.3Very high93.2Very high56 Ų5658 Ų5824%0.24330%0.298CS..SBendtrans-94.7155.2170.7-56.6180-171.4-84.40109.8L115 C121 A153 R154L115-K156 HydrophobicContact CD2-CD 4.03Å; L115-K156 VanDerWaalsContact O-CE 3.31Å; L115-K156 WeakPolarHBondContact O-CE 3.47Å; L115-K156 PolarHBondContact O-NZ 3.46Å; C121-K156 PolarHBondContact O-NZ 3.46Å; A153-K156 HydrophobicContact CB-CB 4.29Å; A153-K156 HydrophobicContact CB-CD 4.19Å; A153-K156 WeakPolarHBondContact O-CB 3.41Å; A153-K156 PolarHBondContact O-N 3.34Å; R154-K156 PolarHBondContact O-N 3.39Å
157R94.2Very high93Very high75 Ų7557.5 Ų57.528%0.28330%0.302SS..  trans-92.3116.8174.2-57-176.4-58.8154.411108.2P124 F125 L181P124-R157 VanDerWaalsContact CA-O 3.28Å; P124-R157 WeakPolarHBondContact CA-O 3.39Å; P124-R157 HydrophobicContact CB-CB 4.29Å; F125-R157 PolarHBondContact N-O 3.04Å; R157-L181 HydrophobicContact CB-CD1 4.33Å; R157-L181 PolarHBondContact NH1-O 3.49Å; R157-L181 PolarHBondContact NH2-O 2.67Å
158W96.1Very high92.8Very high62 Ų6258.6 Ų58.624%0.23531%0.307CS..EExtended strand (participates in β ladder)trans-150.3153178.859.9-87.9000111.3F125 I127 K144 L149 A153 L160F125-W158 HydrophobicContact CB-CB 3.91Å; F125-W158 CarbonylContact O-C 3.59Å; F125-W158 WeakPolarHBondContact O-CA 3.27Å; I127-W158 HydrophobicContact CD1-CE3 4.38Å; K144-W158 HydrophobicContact CG-CH2 4.32Å; L149-W158 HydrophobicContact CB-CH2 4.21Å; L149-W158 HydrophobicContact CB-CZ2 4.27Å; L149-W158 HydrophobicContact CD1-CZ3 4.26Å; A153-W158 VanDerWaalsContact CB-CD1 3.42Å; A153-W158 HydrophobicContact CB-CG 4.19Å; A153-W158 PolarHBondContact O-NE1 2.94Å; W158-L160 HydrophobicContact CE3-CB 4.18Å; W158-L160 HydrophobicContact CZ3-CB 3.8Å
159I97.1Very high92.6Very high22 Ų2261.5 Ų61.511%0.11332%0.321CS..EExtended strand (participates in β ladder)trans-124.8138.3177-64.7155.7000106.9F125 L126 I127 E161 Q177 L181F125-I159 PolarHBondContact O-N 3.02Å; L126-I159 HydrophobicContact CD1-CB 4.06Å; L126-I159 HydrophobicContact CD1-CG2 3.84Å; I127-I159 WeakPolarHBondContact CB-O 3.32Å; I127-I159 PolarHBondContact N-O 2.97Å; I159-E161 HydrophobicContact CG2-CG 3.72Å; I159-Q177 HydrophobicContact CD1-CB 3.52Å; I159-L181 HydrophobicContact CD1-CD1 3.53Å; I159-L181 HydrophobicContact CD1-CG 4.25Å; I159-L181 HydrophobicContact CG1-CD1 4Å
160L97.8Very high92.6Very high22 Ų2262.7 Ų62.712%0.11533%0.329CS..EExtended strand (participates in β ladder)trans-125.5114.9172.2172.365.1000108.7I127 A129 P140 I143 K144 L149 W158I127-L160 HydrophobicContact CB-CB 4.49Å; I127-L160 HydrophobicContact CB-CD1 3.83Å; I127-L160 HydrophobicContact CG2-CD1 3.54Å; I127-L160 WeakPolarHBondContact O-CA 3.34Å; A129-L160 HydrophobicContact CB-CD1 4.33Å; P140-L160 HydrophobicContact CB-CD2 4.35Å; P140-L160 HydrophobicContact CB-CG 4.24Å; P140-L160 VanDerWaalsContact O-CD2 3.3Å; P140-L160 WeakPolarHBondContact O-CD2 3.41Å; I143-L160 HydrophobicContact CG2-CD1 4.42Å; I143-L160 HydrophobicContact CG2-CD2 4.47Å; K144-L160 HydrophobicContact CB-CD2 3.69Å; K144-L160 HydrophobicContact CG-CD2 4.17Å; L149-L160 HydrophobicContact CD1-CD2 3.97Å; W158-L160 HydrophobicContact CE3-CB 4.18Å; W158-L160 HydrophobicContact CZ3-CB 3.8Å
161E97.9Very high92.8Very high74 Ų7458.5 Ų58.535%0.34631%0.31SS..EExtended strand (participates in β ladder)trans-128.7145-179.4-69.3-62.3166.900111.9I127 L128 A129 I159 S174I127-E161 PolarHBondContact O-N 3.22Å; L128-E161 HydrophobicContact CD2-CB 4.49Å; A129-E161 PolarHBondContact N-O 2.99Å; I159-E161 HydrophobicContact CG2-CG 3.72Å; E161-S174 WeakPolarHBondContact CB-OG 3.3Å
162G97.2Very high92.9Very high20 Ų2059.3 Ų59.321%0.20630%0.303CS..EExtended strand (participates in β ladder)trans-80.7137.2170.700000110.3A129A129-G162 WeakPolarHBondContact O-CA 3.2Å
163C96.5Very high93.3Very high3 Ų363.8 Ų63.82%0.0232%0.323CS..  trans-143.4164.6177.363.60000113.6A129 N130 H131 Q132 V171A129-C163 PolarHBondContact O-N 3.26Å; N130-C163 CarbonylContact C-O 3.42Å; N130-C163 WeakPolarHBondContact CA-O 3.33Å; N130-C163 VanDerWaalsContact CA-SG 3.59Å; N130-C163 PolarHBondContact OD1-O 2.95Å; H131-C163 PolarHBondContact N-O 2.8Å; Q132-C163 PolarHBondContact N-O 3.1Å; Q132-C163 VanDerWaalsContact N-O 3.15Å; C163-V171 HydrophobicContact CB-CG2 3.69Å
164T94.4Very high93.7Very high22 Ų2263.9 Ų63.914%0.13532%0.324CS..  trans-136.8157.2170.770.60000108.2Q132 D133 D166 N167Q132-T164 HydrophobicContact CB-CG2 3.9Å; D133-T164 HydrophobicContact CB-CG2 3.91Å; D133-T164 WeakPolarHBondContact OD1-CG2 3.43Å; T164-D166 PolarHBondContact O-N 2.89Å; T164-N167 PolarHBondContact O-N 3.49Å; T164-N167 WeakPolarHBondContact OG1-CB 3.46Å; T164-N167 PolarHBondContact OG1-N 3.23Å; T164-N167 VanDerWaalsContact OG1-N 3.11Å
165V88.6Confident94.1Very high27 Ų2753.6 Ų53.616%0.16429%0.286CS..SBendtrans-69.3-20.4178.8-178.10000111.8L36 R39 T45L36-V165 HydrophobicContact CD2-CG2 4.23Å; R39-V165 HydrophobicContact CG-CG1 3.69Å; R39-V165 PolarHBondContact NE-O 3.47Å; T45-V165 HydrophobicContact CG2-CG1 4.49Å
166D88Confident94.6Very high129 Ų12951 Ų5169%0.6926%0.258SS*.SBendtrans-86.6-30.6179.8-63.9-39.5000112.9T164 M168T164-D166 PolarHBondContact O-N 2.89Å; D166-M168 PolarHBondContact O-N 3.19Å
167N91.8Very high94.8Very high76 Ų7651.8 Ų51.841%0.40626%0.263SS..  trans-93.675.3176.8-169.5-7.2000111.5T164 E169 S170 V171T164-N167 PolarHBondContact O-N 3.49Å; T164-N167 WeakPolarHBondContact OG1-CB 3.46Å; T164-N167 PolarHBondContact OG1-N 3.23Å; T164-N167 VanDerWaalsContact OG1-N 3.11Å; N167-E169 VanDerWaalsContact C-N 3.25Å; N167-E169 PolarHBondContact O-N 2.75Å; N167-E169 PolarHBondContact OD1-N 3Å; N167-S170 PolarHBondContact O-OG 3.48Å; N167-S170 VanDerWaalsContact O-OG 3.12Å; N167-S170 PolarHBondContact OD1-N 3.07Å; N167-V171 WeakPolarHBondContact O-CG2 3.35Å
168M91.9Very high95Very high23 Ų2348.2 Ų48.211%0.11325%0.249CC..Hα-helixtrans-73-15-179.6-69.1-50.6-48.800114.4R39 L40 D166 V171 K172R39-M168 HydrophobicContact CB-CE 3.9Å; R39-M168 HydrophobicContact CB-CG 4.03Å; R39-M168 HydrophobicContact CB-SD 3.42Å; R39-M168 WeakPolarHBondContact CB-SD 3.48Å; R39-M168 HydrophobicContact CG-SD 4.16Å; L40-M168 HydrophobicContact CB-CE 4.41Å; L40-M168 HydrophobicContact CD2-CE 3.44Å; L40-M168 VanDerWaalsContact CD2-CE 3.44Å; L40-M168 HydrophobicContact CG-CE 3.54Å; D166-M168 PolarHBondContact O-N 3.19Å; M168-V171 HydrophobicContact CE-CB 3.84Å; M168-V171 HydrophobicContact CE-CG1 3.87Å; M168-V171 HydrophobicContact CE-CG2 4.31Å; M168-V171 HydrophobicContact SD-CG2 4.37Å; M168-K172 WeakPolarHBondContact O-CB 3.28Å; M168-K172 WeakPolarHBondContact O-CG 3.39Å; M168-K172 PolarHBondContact O-N 2.89Å
169E92.6Very high95Very high160 Ų16045.2 Ų45.275%0.74824%0.238SC*.Hα-helixtrans-68.5-48.7176-66.2-175.5166.400110.5N167 V171 K172 E173N167-E169 VanDerWaalsContact C-N 3.25Å; N167-E169 PolarHBondContact O-N 2.75Å; N167-E169 PolarHBondContact OD1-N 3Å; E169-V171 VanDerWaalsContact C-N 3.34Å; E169-V171 PolarHBondContact O-N 2.87Å; E169-K172 PolarHBondContact O-N 3.29Å; E169-E173 PolarHBondContact O-N 3.38Å
170S93.3Very high94.9Very high26 Ų2645.4 Ų45.418%0.18225%0.245CC..Hα-helixtrans-64.3-39.7177.468.30000112N167 K172 E173 S174N167-S170 PolarHBondContact O-OG 3.48Å; N167-S170 VanDerWaalsContact O-OG 3.12Å; N167-S170 PolarHBondContact OD1-N 3.07Å; S170-K172 PolarHBondContact O-N 2.85Å; S170-E173 WeakPolarHBondContact O-CB 3.49Å; S170-E173 PolarHBondContact O-N 3.12Å; S170-S174 PolarHBondContact O-N 2.93Å; S170-S174 PolarHBondContact O-OG 3.13Å; S170-S174 VanDerWaalsContact O-OG 3.04Å
171V95.3Very high94.8Very high0 Ų046 Ų460%025%0.248CC..Hα-helixtrans-60.5-46.2175.5-179.40000110.5L36 L40 C163 N167 M168 E169 E173 S174 F175L36-V171 HydrophobicContact CD2-CG1 4.42Å; L36-V171 HydrophobicContact CD2-CG2 3.98Å; L40-V171 HydrophobicContact CD1-CG1 4.13Å; L40-V171 HydrophobicContact CD2-CG1 4.08Å; L40-V171 HydrophobicContact CG-CG1 4.27Å; C163-V171 HydrophobicContact CB-CG2 3.69Å; N167-V171 WeakPolarHBondContact O-CG2 3.35Å; M168-V171 HydrophobicContact CE-CB 3.84Å; M168-V171 HydrophobicContact CE-CG1 3.87Å; M168-V171 HydrophobicContact CE-CG2 4.31Å; M168-V171 HydrophobicContact SD-CG2 4.37Å; E169-V171 VanDerWaalsContact C-N 3.34Å; E169-V171 PolarHBondContact O-N 2.87Å; V171-E173 VanDerWaalsContact C-N 3.29Å; V171-E173 PolarHBondContact O-N 2.87Å; V171-S174 PolarHBondContact O-N 2.92Å; V171-F175 HydrophobicContact CG1-CD2 3.9Å; V171-F175 HydrophobicContact CG1-CE2 3.77Å; V171-F175 VanDerWaalsContact O-CD2 3.22Å; V171-F175 WeakPolarHBondContact O-CD2 3.1Å; V171-F175 PolarHBondContact O-N 3.04Å; V171-F175 VanDerWaalsContact O-N 3.08Å
172K95.6Very high94.6Very high108 Ų10842.6 Ų42.647%0.4723%0.233SC..Hα-helixtrans-62-38.1177.6-75.7173-176.6-179.80112L40 F61 M168 E169 S170 F175 G176L40-K172 HydrophobicContact CD2-CG 3.64Å; F61-K172 HydrophobicContact CE1-CB 4.46Å; F61-K172 HydrophobicContact CE1-CG 4.43Å; M168-K172 WeakPolarHBondContact O-CB 3.28Å; M168-K172 WeakPolarHBondContact O-CG 3.39Å; M168-K172 PolarHBondContact O-N 2.89Å; E169-K172 PolarHBondContact O-N 3.29Å; S170-K172 PolarHBondContact O-N 2.85Å; K172-F175 PolarHBondContact O-N 3.05Å; K172-G176 PolarHBondContact O-N 2.84Å
173E96.1Very high94.2Very high128 Ų12844.9 Ų44.960%0.59824%0.238SC*.Hα-helixtrans-62-47.7175.3-173.9178.1-175.400111.6E169 S170 V171 F175 G176 Q177E169-E173 PolarHBondContact O-N 3.38Å; S170-E173 WeakPolarHBondContact O-CB 3.49Å; S170-E173 PolarHBondContact O-N 3.12Å; V171-E173 VanDerWaalsContact C-N 3.29Å; V171-E173 PolarHBondContact O-N 2.87Å; E173-F175 VanDerWaalsContact C-N 3.3Å; E173-F175 PolarHBondContact O-N 3.32Å; E173-G176 WeakPolarHBondContact O-CA 3.39Å; E173-G176 PolarHBondContact O-N 3.07Å; E173-Q177 WeakPolarHBondContact O-CG 3.47Å; E173-Q177 PolarHBondContact O-N 2.94Å
174S96.9Very high93.5Very high5 Ų549.1 Ų49.14%0.03526%0.26CS..Hα-helixtrans-61-38.6178-47.50000112.5E161 S170 V171 Q177 L178E161-S174 WeakPolarHBondContact CB-OG 3.3Å; S170-S174 PolarHBondContact O-N 2.93Å; S170-S174 PolarHBondContact O-OG 3.13Å; S170-S174 VanDerWaalsContact O-OG 3.04Å; V171-S174 PolarHBondContact O-N 2.92Å; S174-Q177 PolarHBondContact O-N 3.37Å; S174-L178 PolarHBondContact O-N 3.29Å; S174-L178 VanDerWaalsContact O-N 3.08Å
175F97.2Very high92.2Very high2 Ų252.2 Ų52.21%0.00927%0.272CS..Hα-helixtrans-68.1-35.8172.9-85-108.3000112.3L37 L40 F61 L66 I92 L126 L128 V171 K172 E173 Q177 L178 I179L37-F175 HydrophobicContact CD2-CZ 4.33Å; L40-F175 HydrophobicContact CD1-CD1 4.28Å; L40-F175 HydrophobicContact CD1-CD2 4.09Å; L40-F175 HydrophobicContact CD1-CE1 3.85Å; L40-F175 HydrophobicContact CD1-CE2 3.63Å; L40-F175 HydrophobicContact CD1-CG 4.38Å; L40-F175 HydrophobicContact CD1-CZ 3.49Å; L40-F175 VanDerWaalsContact CD1-CZ 3.49Å; F61-F175 HydrophobicContact CE1-CB 3.54Å; F61-F175 HydrophobicContact CE1-CG 4.38Å; F61-F175 HydrophobicContact CE2-CB 4.18Å; F61-F175 AromaticContact CE2-CD1 4Å; F61-F175 HydrophobicContact CE2-CD1 4Å; F61-F175 HydrophobicContact CE2-CG 4.45Å; F61-F175 HydrophobicContact CZ-CB 3.3Å; F61-F175 AromaticContact CZ-CD1 3.67Å; F61-F175 HydrophobicContact CZ-CD1 3.67Å; F61-F175 AromaticContact CZ-CG 3.7Å; F61-F175 HydrophobicContact CZ-CG 3.7Å; L66-F175 HydrophobicContact CD1-CD1 3.67Å; L66-F175 HydrophobicContact CD1-CE1 4.32Å; I92-F175 HydrophobicContact CD1-CD1 4.28Å; I92-F175 HydrophobicContact CD1-CE1 3.4Å; I92-F175 VanDerWaalsContact CD1-CE1 3.4Å; I92-F175 HydrophobicContact CD1-CZ 3.81Å; I92-F175 HydrophobicContact CG1-CE1 4.33Å; I92-F175 HydrophobicContact CG1-CZ 4.5Å; I92-F175 HydrophobicContact CG2-CZ 4.35Å; L126-F175 HydrophobicContact CD2-CD2 3.73Å; L126-F175 HydrophobicContact CD2-CE2 4.02Å; L126-F175 HydrophobicContact CD2-CG 4.05Å; L128-F175 HydrophobicContact CD1-CE2 3.79Å; L128-F175 HydrophobicContact CD1-CZ 4.48Å; V171-F175 HydrophobicContact CG1-CD2 3.9Å; V171-F175 HydrophobicContact CG1-CE2 3.77Å; V171-F175 VanDerWaalsContact O-CD2 3.22Å; V171-F175 WeakPolarHBondContact O-CD2 3.1Å; V171-F175 PolarHBondContact O-N 3.04Å; V171-F175 VanDerWaalsContact O-N 3.08Å; K172-F175 PolarHBondContact O-N 3.05Å; E173-F175 VanDerWaalsContact C-N 3.3Å; E173-F175 PolarHBondContact O-N 3.32Å; F175-Q177 VanDerWaalsContact C-N 3.34Å; F175-L178 WeakPolarHBondContact O-CB 3.33Å; F175-L178 PolarHBondContact O-N 2.66Å; F175-I179 WeakPolarHBondContact O-CG1 3.25Å; F175-I179 PolarHBondContact O-N 3.11Å
176G96.6Very high90.8Very high30 Ų3056.6 Ų56.631%0.30929%0.291SS..Hα-helixtrans-60.3-42171.900000112.6K172 E173 I179 G180K172-G176 PolarHBondContact O-N 2.84Å; E173-G176 WeakPolarHBondContact O-CA 3.39Å; E173-G176 PolarHBondContact O-N 3.07Å; G176-I179 WeakPolarHBondContact O-CB 3.2Å; G176-I179 PolarHBondContact O-N 3.41Å; G176-G180 PolarHBondContact O-N 3.35Å
177Q96.7Very high89.3Confident73 Ų7355.5 Ų55.534%0.34129%0.289SS..Hα-helixtrans-63.8-40.5173.6-64.41776.400111.8I159 E173 S174 F175 I179 G180 L181I159-Q177 HydrophobicContact CD1-CB 3.52Å; E173-Q177 WeakPolarHBondContact O-CG 3.47Å; E173-Q177 PolarHBondContact O-N 2.94Å; S174-Q177 PolarHBondContact O-N 3.37Å; F175-Q177 VanDerWaalsContact C-N 3.34Å; Q177-I179 VanDerWaalsContact C-N 3.32Å; Q177-I179 PolarHBondContact O-N 3.21Å; Q177-G180 PolarHBondContact O-N 3.33Å; Q177-L181 PolarHBondContact O-N 2.81Å; Q177-L181 VanDerWaalsContact O-N 3.12Å
178L97.1Very high87.3Confident0 Ų058.9 Ų58.90%030%0.302CS..Hα-helixtrans-60.4-42.3173.3177.664.4000111.6I92 P124 L126 S174 F175 G180 L181 L182I92-L178 HydrophobicContact CD1-CD2 4.34Å; I92-L178 HydrophobicContact CG1-CD2 3.79Å; P124-L178 HydrophobicContact CB-CD1 4.08Å; P124-L178 HydrophobicContact CG-CD1 4.14Å; L126-L178 HydrophobicContact CB-CB 4.2Å; L126-L178 HydrophobicContact CB-CD1 4.17Å; L126-L178 HydrophobicContact CB-CD2 3.88Å; L126-L178 HydrophobicContact CB-CG 4.3Å; L126-L178 HydrophobicContact CD2-CB 4.23Å; L126-L178 HydrophobicContact CD2-CD2 4.16Å; S174-L178 PolarHBondContact O-N 3.29Å; S174-L178 VanDerWaalsContact O-N 3.08Å; F175-L178 WeakPolarHBondContact O-CB 3.33Å; F175-L178 PolarHBondContact O-N 2.66Å; L178-G180 VanDerWaalsContact C-N 3.33Å; L178-G180 PolarHBondContact O-N 3.14Å; L178-L181 WeakPolarHBondContact O-CB 3.35Å; L178-L181 PolarHBondContact O-N 3.2Å; L178-L181 VanDerWaalsContact O-N 3.16Å; L178-L182 HydrophobicContact CG-CD1 4.14Å; L178-L182 WeakPolarHBondContact O-CG 3.27Å; L178-L182 PolarHBondContact O-N 2.56Å
179I96.2Very high84.9Confident0 Ų062.9 Ų62.90%033%0.329CS..Hα-helixtrans-60.1-43.8176.2-68.3160.6000110.7Y21 F61 N63 A64 L66 F175 G176 Q177 L181 L182 E183Y21-I179 HydrophobicContact CE2-CG2 4.39Å; F61-I179 HydrophobicContact CB-CD1 3.69Å; F61-I179 HydrophobicContact CD1-CD1 4.03Å; F61-I179 HydrophobicContact CD2-CD1 3.77Å; F61-I179 HydrophobicContact CE2-CD1 4.44Å; F61-I179 HydrophobicContact CG-CD1 3.54Å; N63-I179 VanDerWaalsContact ND2-CG2 3.32Å; N63-I179 WeakPolarHBondContact ND2-CG2 3.44Å; A64-I179 HydrophobicContact CB-CD1 4.2Å; A64-I179 HydrophobicContact CB-CG1 4.36Å; A64-I179 HydrophobicContact CB-CG2 3.82Å; L66-I179 HydrophobicContact CD1-CD1 4.24Å; L66-I179 HydrophobicContact CD1-CG1 4.11Å; L66-I179 HydrophobicContact CD2-CG1 3.94Å; L66-I179 HydrophobicContact CG-CD1 4.32Å; L66-I179 HydrophobicContact CG-CG1 4.22Å; F175-I179 WeakPolarHBondContact O-CG1 3.25Å; F175-I179 PolarHBondContact O-N 3.11Å; G176-I179 WeakPolarHBondContact O-CB 3.2Å; G176-I179 PolarHBondContact O-N 3.41Å; Q177-I179 VanDerWaalsContact C-N 3.32Å; Q177-I179 PolarHBondContact O-N 3.21Å; I179-L181 VanDerWaalsContact C-N 3.29Å; I179-L181 PolarHBondContact O-N 2.91Å; I179-L182 WeakPolarHBondContact O-CA 3.33Å; I179-L182 WeakPolarHBondContact O-CB 3.33Å; I179-L182 PolarHBondContact O-N 2.85Å; I179-E183 HydrophobicContact CG2-CG 4.27Å; I179-E183 WeakPolarHBondContact CG2-OE1 3.44Å; I179-E183 WeakPolarHBondContact O-CG 2.98Å; I179-E183 PolarHBondContact O-N 3.27Å
180G95.1Very high82.7Confident25 Ų2559.7 Ų59.726%0.25833%0.33SS..Hα-helixtrans-56.5-42.617400000112.6G176 Q177 L178 L182 E183 D184G176-G180 PolarHBondContact O-N 3.35Å; Q177-G180 PolarHBondContact O-N 3.33Å; L178-G180 VanDerWaalsContact C-N 3.33Å; L178-G180 PolarHBondContact O-N 3.14Å; G180-L182 VanDerWaalsContact C-N 3.27Å; G180-L182 PolarHBondContact O-N 3.39Å; G180-E183 PolarHBondContact O-N 3.32Å; G180-D184 PolarHBondContact O-N 3.48Å; G180-D184 VanDerWaalsContact O-N 3.08Å
181L94.9Very high80.2Confident34 Ų3469.9 Ų69.918%0.17837%0.365CS..Hα-helixtrans-65.9-27.5174.1-62.3-179.9000113.2P124 R157 I159 Q177 L178 I179P124-L181 HydrophobicContact CB-CB 3.75Å; P124-L181 HydrophobicContact CB-CD1 3.89Å; P124-L181 HydrophobicContact CB-CG 4.49Å; P124-L181 HydrophobicContact CG-CB 4.25Å; R157-L181 HydrophobicContact CB-CD1 4.33Å; R157-L181 PolarHBondContact NH1-O 3.49Å; R157-L181 PolarHBondContact NH2-O 2.67Å; I159-L181 HydrophobicContact CD1-CD1 3.53Å; I159-L181 HydrophobicContact CD1-CG 4.25Å; I159-L181 HydrophobicContact CG1-CD1 4Å; Q177-L181 PolarHBondContact O-N 2.81Å; Q177-L181 VanDerWaalsContact O-N 3.12Å; L178-L181 WeakPolarHBondContact O-CB 3.35Å; L178-L181 PolarHBondContact O-N 3.2Å; L178-L181 VanDerWaalsContact O-N 3.16Å; I179-L181 VanDerWaalsContact C-N 3.29Å; I179-L181 PolarHBondContact O-N 2.91Å
182L93.8Very high77.5Confident4 Ų480.9 Ų80.92%0.02142%0.421CS..Hα-helixtrans-75.7-43176.8-68.2166.1000111Y21 V23 L66 Q89 P124 L178 I179 G180 K185Y21-L182 HydrophobicContact CD1-CB 4.03Å; Y21-L182 HydrophobicContact CD2-CB 4.26Å; Y21-L182 HydrophobicContact CD2-CD1 4.19Å; Y21-L182 HydrophobicContact CE1-CB 4.11Å; Y21-L182 HydrophobicContact CE2-CB 4.31Å; Y21-L182 HydrophobicContact CG-CB 4.13Å; Y21-L182 HydrophobicContact CG-CD1 3.96Å; V23-L182 HydrophobicContact CG1-CD1 4.06Å; L66-L182 HydrophobicContact CD2-CD1 4.04Å; Q89-L182 VanDerWaalsContact C-CD2 3.5Å; Q89-L182 HydrophobicContact CB-CD2 3.99Å; Q89-L182 WeakPolarHBondContact O-CD2 3.2Å; P124-L182 HydrophobicContact CG-CD2 3.68Å; P124-L182 HydrophobicContact CG-CG 4.22Å; L178-L182 HydrophobicContact CG-CD1 4.14Å; L178-L182 WeakPolarHBondContact O-CG 3.27Å; L178-L182 PolarHBondContact O-N 2.56Å; I179-L182 WeakPolarHBondContact O-CA 3.33Å; I179-L182 WeakPolarHBondContact O-CB 3.33Å; I179-L182 PolarHBondContact O-N 2.85Å; G180-L182 VanDerWaalsContact C-N 3.27Å; G180-L182 PolarHBondContact O-N 3.39Å; L182-K185 WeakPolarHBondContact O-CB 3.17Å; L182-K185 PolarHBondContact O-N 3.27Å
183E90.1Very high76.6Confident68 Ų6879.5 Ų79.532%0.31842%0.419SS..Hα-helixtrans-61.2-42.6176.7-70.5173.3-17900111.9Y21 N63 I179 G180 K185 E186Y21-E183 HydrophobicContact CE2-CG 4.39Å; Y21-E183 WeakPolarHBondContact OH-CG 3.19Å; N63-E183 PolarHBondContact ND2-OE1 3.18Å; I179-E183 HydrophobicContact CG2-CG 4.27Å; I179-E183 WeakPolarHBondContact CG2-OE1 3.44Å; I179-E183 WeakPolarHBondContact O-CG 2.98Å; I179-E183 PolarHBondContact O-N 3.27Å; G180-E183 PolarHBondContact O-N 3.32Å; E183-K185 PolarHBondContact O-N 3.17Å; E183-K185 VanDerWaalsContact O-N 3.11Å; E183-E186 PolarHBondContact O-N 3.46Å
184D81.4Confident75.5Confident92 Ų9276.9 Ų76.949%0.49241%0.409SS..Hα-helixtrans-59.2-25.9177.4-74.6-16.2000113.2G180 T187G180-D184 PolarHBondContact O-N 3.48Å; G180-D184 VanDerWaalsContact O-N 3.08Å; D184-T187 PolarHBondContact O-OG1 3.07Å; D184-T187 VanDerWaalsContact O-OG1 3.08Å
185K66.8Low74.3Confident86 Ų8680.9 Ų80.937%0.37443%0.43SS..Hα-helixtrans-77.3-27.6179-165.4-175.4176-173.40112.3L123 L182 E183 T187L123-K185 VanDerWaalsContact CD2-NZ 3.32Å; L182-K185 WeakPolarHBondContact O-CB 3.17Å; L182-K185 PolarHBondContact O-N 3.27Å; E183-K185 PolarHBondContact O-N 3.17Å; E183-K185 VanDerWaalsContact O-N 3.11Å; K185-T187 VanDerWaalsContact C-N 3.31Å
186E58.7Low73Confident120 Ų12085.6 Ų85.656%0.56146%0.455SS*.Hα-helixtrans-76.6-21.5177.7-69.9-174134.700112.3Y21 E183Y21-E186 HydrophobicContact CE1-CG 4.48Å; Y21-E186 PolarHBondContact OH-OE2 3.46Å; E183-E186 PolarHBondContact O-N 3.46Å
187T57.1Low71.5Confident106 Ų10689.1 Ų89.165%0.6546%0.464SS*.SBendtrans-90.2-10.1-178.450.30000114.5D184 K185 P189D184-T187 PolarHBondContact O-OG1 3.07Å; D184-T187 VanDerWaalsContact O-OG1 3.08Å; K185-T187 VanDerWaalsContact C-N 3.31Å; T187-P189 WeakPolarHBondContact O-CD 3.37Å
188E49.3Very low69.9Low147 Ų14790.1 Ų90.169%0.68747%0.472SS*.SBendtrans-80.7101.4164.4-74.7-164.8131.500109.2A190E188-A190 PolarHBondContact O-N 3.48Å
189P41.4Very low67.9Low106 Ų10696.6 Ų96.669%0.68851%0.506SS*.  trans-59.9135.7173.227-33.8000108T187 R191T187-P189 WeakPolarHBondContact O-CD 3.37Å; P189-R191 PolarHBondContact O-N 2.75Å
190A46.4Very low65.7Low93 Ų93104 Ų10477%0.76955%0.545SS*.  trans-46.7107.917000000108E188 I192E188-A190 PolarHBondContact O-N 3.48Å; A190-I192 VanDerWaalsContact C-N 3.34Å; A190-I192 PolarHBondContact O-N 3.21Å
191R40.6Very low63.3Low240 Ų240110.6 Ų110.691%0.90657%0.569SS**  trans-65.6102.5173-72.6-176.6179.7172.72.2106P189P189-R191 PolarHBondContact O-N 2.75Å
192I38.7Very low60.4Low231 Ų231117.5 Ų117.5100%1.18561%0.605SS**  trans-620170.2-57.2173.1000108.6A190A190-I192 VanDerWaalsContact C-N 3.34Å; A190-I192 PolarHBondContact O-N 3.21Å

Retrieved 192 of 192 residues in 479.8 ms (Link to these results)

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