A0A087X407_POEFO Loading...

NBL1, DAN family BMP antagonist

AlphaFold DB , UniProt , Accession A0A087X407, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 190 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
1M51.8Low52.9Low218 Ų218134.3 Ų134.3100%1.07466%0.664SS**  0-26.20-70.6180179.100113.4
2W48.7Very low52.6Low216 Ų216137.5 Ų137.582%0.81867%0.672SS**Hα-helixtrans-68.4-34.3179.4-160.1-72000115.4R4 I5W2-R4 VanDerWaalsContact C-N 3.34Å; W2-R4 PolarHBondContact O-N 3.39Å; W2-I5 PolarHBondContact O-N 3.36Å
3Q52.3Low52.7Low166 Ų166132.9 Ų132.978%0.77667%0.67SS**Hα-helixtrans-69-26.7-179.8-92.7178.4-34.300114.3I5 I7Q3-I5 VanDerWaalsContact C-N 3.34Å; Q3-I7 WeakPolarHBondContact O-CG1 3.12Å
4R53.2Low52.6Low206 Ų206133.4 Ų133.478%0.77767%0.674SS**Hα-helixtrans-75.3-25.8179.5-70.4-166.6169-166.3-3.7112.6W2 C8W2-R4 VanDerWaalsContact C-N 3.34Å; W2-R4 PolarHBondContact O-N 3.39Å; R4-C8 PolarHBondContact O-N 3.06Å; R4-C8 PolarHBondContact O-SG 2.77Å
5I55.1Low52.5Low107 Ų107135.3 Ų135.355%0.54968%0.679SS.*Hα-helixtrans-73-38.7179.1-64.6167.4000110.5W2 Q3 I7 C8 C9W2-I5 PolarHBondContact O-N 3.36Å; Q3-I5 VanDerWaalsContact C-N 3.34Å; I5-I7 PolarHBondContact O-N 3.06Å; I5-C8 PolarHBondContact O-N 2.9Å; I5-C9 PolarHBondContact O-N 2.8Å
6Q53.8Low52.6Low118 Ų118133.3 Ų133.355%0.55168%0.682SS**Hα-helixtrans-67.7-34.5178.9-68.2-65.3-21.600113.1C9 A10Q6-C9 PolarHBondContact O-N 2.98Å; Q6-A10 PolarHBondContact O-N 3.16Å
7I54.7Low52.8Low105 Ų105131.2 Ų131.254%0.53869%0.689SS.*Hα-helixtrans-69.1-35.4176.8-63.5166.5000110.9Q3 I5 A10 L11Q3-I7 WeakPolarHBondContact O-CG1 3.12Å; I5-I7 PolarHBondContact O-N 3.06Å; I7-A10 PolarHBondContact O-N 3.17Å; I7-L11 HydrophobicContact CG2-CD1 4.28Å; I7-L11 WeakPolarHBondContact O-CG 3.09Å; I7-L11 PolarHBondContact O-N 2.97Å
8C53.4Low52.8Low80 Ų80128.9 Ų128.954%0.54169%0.692SS.*Hα-helixtrans-68.3-34.9175.9-69.20000113R4 I5 F12R4-C8 PolarHBondContact O-N 3.06Å; R4-C8 PolarHBondContact O-SG 2.77Å; I5-C8 PolarHBondContact O-N 2.9Å; C8-F12 PolarHBondContact O-N 2.7Å
9C54.1Low52.7Low81 Ų81126.6 Ų126.655%0.54769%0.693SS.*Hα-helixtrans-69.5-35176.5-680000112.6I5 Q6I5-C9 PolarHBondContact O-N 2.8Å; Q6-C9 PolarHBondContact O-N 2.98Å
10A52.6Low52.7Low62 Ų62126.6 Ų126.651%0.51270%0.699SS.*Hα-helixtrans-70.5-32.4177.100000113Q6 I7Q6-A10 PolarHBondContact O-N 3.16Å; I7-A10 PolarHBondContact O-N 3.17Å
11L52.4Low52.7Low118 Ų118124.8 Ų124.862%0.61870%0.701SS**Hα-helixtrans-75.9-25.8177.8-68.9171.8000113.2I7 A13I7-L11 HydrophobicContact CG2-CD1 4.28Å; I7-L11 WeakPolarHBondContact O-CG 3.09Å; I7-L11 PolarHBondContact O-N 2.97Å; L11-A13 VanDerWaalsContact C-N 3.34Å
12F49.2Very low52.9Low173 Ų173118 Ų11876%0.75967%0.667SS**Hα-helixtrans-75.1-23175.1-112.9-89000113.3C8 L14C8-F12 PolarHBondContact O-N 2.7Å; F12-L14 VanDerWaalsContact C-N 3.29Å; F12-L14 PolarHBondContact O-N 2.03Å
13A53.8Low53.7Low78 Ų78113.5 Ų113.565%0.64566%0.657SS**THydrogen-bonded Turntrans-77.2-8.8-179.600000114.5L11L11-A13 VanDerWaalsContact C-N 3.34Å
14L51.8Low54.6Low140 Ų140108.8 Ų108.873%0.73364%0.637SS**THydrogen-bonded Turntrans-92.10.5-179.4-97.993.4000115.2F12 S16F12-L14 VanDerWaalsContact C-N 3.29Å; F12-L14 PolarHBondContact O-N 2.03Å; L14-S16 PolarHBondContact O-N 2.7Å
15H50.6Low55.8Low161 Ų161107 Ų10775%0.74563%0.63SS**  trans-8264.2170.2-67.277.8000109.2A17H15-A17 PolarHBondContact O-N 3.49Å
16S53.8Low57Low104 Ų104103 Ų10373%0.72761%0.61SS**  trans-58.1107.3163.1-60.40000106.8L14 A18L14-S16 PolarHBondContact O-N 2.7Å; S16-A18 VanDerWaalsContact C-N 3.26Å; S16-A18 PolarHBondContact O-N 3.1Å
17A56Low58.2Low98 Ų98102.4 Ų102.481%0.8163%0.625SS**  trans-55.799.9162.700000106.2H15 A19H15-A17 PolarHBondContact O-N 3.49Å; A17-A19 PolarHBondContact O-N 3.05Å
18A52.7Low59.2Low90 Ų90103.1 Ų103.174%0.74463%0.63SS**PPolyproline II helixtrans-56.9117173.600000106S16S16-A18 VanDerWaalsContact C-N 3.26Å; S16-A18 PolarHBondContact O-N 3.1Å
19A52.3Low60.4Low85 Ų85104.9 Ų104.970%0.70263%0.628SS**PPolyproline II helixtrans-50.5132.8171.700000107.3A17 A21A17-A19 PolarHBondContact O-N 3.05Å; A19-A21 PolarHBondContact O-N 2.8Å
20P51Low61.7Low125 Ų125104.5 Ų104.581%0.81263%0.625SS**PPolyproline II helixtrans-49.7121.9-175.710.6-22.1000108.9H22P20-H22 PolarHBondContact O-N 2.83Å
21A52.5Low63.2Low89 Ų89108.9 Ų108.974%0.73664%0.639SS**  trans-60.8106.3-175.800000107.9A19 I23A19-A21 PolarHBondContact O-N 2.8Å; A21-I23 WeakPolarHBondContact O-CG1 3.39Å; A21-I23 PolarHBondContact O-N 2.98Å
22H57.8Low64.8Low77 Ų77109.9 Ų109.936%0.35664%0.639SS.*  trans-64.1103.8176.7-168.3-78.3000107.4P20 N24 C121P20-H22 PolarHBondContact O-N 2.83Å; H22-N24 VanDerWaalsContact C-N 3.28Å; H22-N24 PolarHBondContact CE1-OD1 2.84Å; H22-N24 VanDerWaalsContact ND1-CG 3.28Å; H22-N24 PolarHBondContact ND1-ND2 2.83Å; H22-N24 PolarHBondContact ND1-OD1 2.84Å; H22-N24 PolarHBondContact O-N 2.78Å; H22-C121 PolarHBondContact NE2-N 2.81Å
23I65Low66.7Low121 Ų121105.1 Ų105.162%0.62163%0.627SS**  trans-70.988.1-175.4-57.9178.9000108.1A21 R25A21-I23 WeakPolarHBondContact O-CG1 3.39Å; A21-I23 PolarHBondContact O-N 2.98Å; I23-R25 VanDerWaalsContact C-N 3.27Å; I23-R25 WeakPolarHBondContact CG2-O 3.26Å
24N71.1Confident68.6Low67 Ų67101.8 Ų101.836%0.35860%0.6SS.*  trans-83.4-2.7178.4-76-38.8000113.2H22 S33 A34 F65H22-N24 VanDerWaalsContact C-N 3.28Å; H22-N24 PolarHBondContact CE1-OD1 2.84Å; H22-N24 VanDerWaalsContact ND1-CG 3.28Å; H22-N24 PolarHBondContact ND1-ND2 2.83Å; H22-N24 PolarHBondContact ND1-OD1 2.84Å; H22-N24 PolarHBondContact O-N 2.78Å; N24-S33 CarbonylContact O-C 3.49Å; N24-S33 WeakPolarHBondContact O-CA 3.39Å; N24-A34 PolarHBondContact O-N 2.62Å; N24-A34 PolarHBondContact OD1-O 3.44Å; N24-F65 WeakPolarHBondContact O-CE2 3.46Å
25R77.6Confident70.6Confident167 Ų16799.3 Ų99.363%0.6358%0.58SS**SBendtrans-143.4138.2-179.9-64.1-172.8-178.7179.40.5110.6I23I23-R25 VanDerWaalsContact C-N 3.27Å; I23-R25 WeakPolarHBondContact CG2-O 3.26Å
26L80.3Confident72.9Confident24 Ų2492.6 Ų92.613%0.12655%0.551CS.*BIsolated β-bridgetrans-89.4140.3171.2-68.5171.8000109.7L28 F29 F65 Y67L26-L28 PolarHBondContact O-N 3.04Å; L26-F29 HydrophobicContact CB-CB 4.5Å; L26-F29 HydrophobicContact CD1-CD2 4.21Å; L26-F29 CarbonylContact O-C 3.5Å; L26-F29 PolarHBondContact O-N 2.81Å; L26-F65 HydrophobicContact CD1-CB 3.85Å; L26-F65 HydrophobicContact CD1-CD1 3.6Å; L26-F65 HydrophobicContact CD1-CD2 4.09Å; L26-F65 HydrophobicContact CD1-CE1 4.14Å; L26-F65 HydrophobicContact CD1-CG 3.58Å; L26-F65 HydrophobicContact CD2-CD2 4.32Å; L26-F65 HydrophobicContact CD2-CG 4.46Å; L26-F65 HydrophobicContact CG-CB 4.25Å; L26-F65 HydrophobicContact CG-CD1 4.09Å; L26-F65 HydrophobicContact CG-CD2 3.71Å; L26-F65 HydrophobicContact CG-CE1 4.37Å; L26-F65 HydrophobicContact CG-CE2 4Å; L26-F65 HydrophobicContact CG-CG 3.76Å; L26-F65 HydrophobicContact CG-CZ 4.32Å; L26-Y67 HydrophobicContact CD1-CD1 3.93Å; L26-Y67 HydrophobicContact CD1-CE1 4.33Å; L26-Y67 HydrophobicContact CD2-CD1 4.18Å; L26-Y67 HydrophobicContact CD2-CE1 3.72Å
27A79.1Confident75Confident105 Ų10592 Ų9287%0.86854%0.537SS*.THydrogen-bonded Turntrans-58.2-32.7172.400000112.2F29A27-F29 VanDerWaalsContact C-N 3.29Å; A27-F29 PolarHBondContact O-N 2.86Å
28L75.9Confident77Confident121 Ų12188.8 Ų88.863%0.63451%0.511SS*.THydrogen-bonded Turntrans-69.4-25.2176-71.5162.9000113.1L26L26-L28 PolarHBondContact O-N 3.04Å
29F79.5Confident79.2Confident117 Ų11788.7 Ų88.751%0.51349%0.493SS..BIsolated β-bridgetrans-140.371-176.3-59.7-71.1000110.3L26 A27 D31 K32L26-F29 HydrophobicContact CB-CB 4.5Å; L26-F29 HydrophobicContact CD1-CD2 4.21Å; L26-F29 CarbonylContact O-C 3.5Å; L26-F29 PolarHBondContact O-N 2.81Å; A27-F29 VanDerWaalsContact C-N 3.29Å; A27-F29 PolarHBondContact O-N 2.86Å; F29-D31 PolarHBondContact O-N 2.79Å; F29-K32 HydrophobicContact CB-CB 4.15Å; F29-K32 HydrophobicContact CB-CG 4.12Å; F29-K32 PolarHBondContact O-N 2.88Å; F29-K32 VanDerWaalsContact O-N 3.13Å
30P81.3Confident81.4Confident72 Ų7290.2 Ų90.247%0.46849%0.49SS..THydrogen-bonded Turntrans-65.4-23.3-173.827-35.3000113.2K32P30-K32 VanDerWaalsContact C-N 3.34Å
31D84.3Confident83.6Confident154 Ų15487.4 Ų87.482%0.82447%0.468SS*.THydrogen-bonded Turntrans-84.5-9.7-179.8-55.6-38.9000113.3F29F29-D31 PolarHBondContact O-N 2.79Å
32K84.6Confident85.8Confident139 Ų13987.2 Ų87.260%0.60446%0.457SS*.  trans-101.4136.4176.3-59-60.7-175.1-176.90108.4F29 P30 F65F29-K32 HydrophobicContact CB-CB 4.15Å; F29-K32 HydrophobicContact CB-CG 4.12Å; F29-K32 PolarHBondContact O-N 2.88Å; F29-K32 VanDerWaalsContact O-N 3.13Å; P30-K32 VanDerWaalsContact C-N 3.34Å; K32-F65 HydrophobicContact CB-CE1 4.05Å; K32-F65 HydrophobicContact CB-CZ 4.32Å; K32-F65 WeakPolarHBondContact O-CZ 3.08Å
33S89.7Confident87.7Confident74 Ų7486.6 Ų86.652%0.51746%0.455SS..  trans-122.6133.6174.658.90000111.8N24N24-S33 CarbonylContact O-C 3.49Å; N24-S33 WeakPolarHBondContact O-CA 3.39Å
34A93.7Very high89.3Confident8 Ų886.7 Ų86.77%0.06646%0.455CS..  trans-77.2152.6165.900000110.3N24 Q63 F65N24-A34 PolarHBondContact O-N 2.62Å; N24-A34 PolarHBondContact OD1-O 3.44Å; A34-Q63 CarbonylContact C-O 3.6Å; A34-Q63 WeakPolarHBondContact CA-O 3.33Å; A34-Q63 WeakPolarHBondContact CB-O 3.23Å; A34-F65 HydrophobicContact CB-CD2 3.65Å; A34-F65 HydrophobicContact CB-CE2 3.5Å; A34-F65 HydrophobicContact CB-CG 4.33Å; A34-F65 HydrophobicContact CB-CZ 4.06Å
35W94.8Very high90.6Very high87 Ų8783.9 Ų83.933%0.3344%0.44SS..EExtended strand (participates in β ladder)trans-148.3147.7172.964.8-87.1000109.7E37 L61 G62 Q63W35-E37 HydrophobicContact CE3-CB 4.49Å; W35-E37 HydrophobicContact CE3-CG 4.07Å; W35-E37 HydrophobicContact CZ3-CB 4.43Å; W35-E37 HydrophobicContact CZ3-CG 4.41Å; W35-L61 HydrophobicContact CH2-CD2 4.2Å; W35-L61 HydrophobicContact CH2-CG 3.89Å; W35-L61 HydrophobicContact CZ3-CG 4.19Å; W35-L61 WeakPolarHBondContact CZ3-O 3.41Å; W35-G62 CarbonylContact O-C 3.57Å; W35-G62 WeakPolarHBondContact O-CA 3.42Å; W35-Q63 HydrophobicContact CZ2-CG 4.18Å; W35-Q63 PolarHBondContact N-O 3.31Å; W35-Q63 PolarHBondContact O-N 2.93Å
36C97.4Very high91.5Very high20 Ų2077.5 Ų77.514%0.13543%0.427CS..EExtended strand (participates in β ladder)trans-150.8125.7177176.70000109.1C86 S120C36-C86 VanDerWaalsContact CA-SG 3.54Å; C36-C86 HydrophobicContact CB-CB 3.81Å; C36-C86 WeakPolarHBondContact CB-SG 3.17Å; C36-C86 WeakPolarHBondContact SG-CA 3.39Å; C36-C86 WeakPolarHBondContact SG-CB 3.35Å; C36-C86 CovalentContact SG-SG 2.03Å; C36-C86 PolarHBondContact SG-SG 3.35Å; C36-S120 VanDerWaalsContact SG-CA 3.55Å; C36-S120 PolarHBondContact SG-N 2.83Å; C36-S120 VanDerWaalsContact SG-N 3.37Å; C36-S120 PolarHBondContact SG-O 2.92Å
37E97.6Very high92.3Very high91 Ų9180.4 Ų80.443%0.42544%0.439SS..EExtended strand (participates in β ladder)trans-132144.9-171.7-69.6-177.2-16800111.7W35 K39 L61W35-E37 HydrophobicContact CE3-CB 4.49Å; W35-E37 HydrophobicContact CE3-CG 4.07Å; W35-E37 HydrophobicContact CZ3-CB 4.43Å; W35-E37 HydrophobicContact CZ3-CG 4.41Å; E37-K39 HydrophobicContact CB-CD 4.45Å; E37-K39 VanDerWaalsContact OE2-CE 3.23Å; E37-K39 WeakPolarHBondContact OE2-CE 3.28Å; E37-K39 IonicContact OE2-NZ 2.97Å; E37-K39 PolarHBondContact OE2-NZ 2.78Å; E37-L61 PolarHBondContact N-O 3.47Å; E37-L61 PolarHBondContact O-N 2.92Å
38A98.3Very high93.1Very high31 Ų3181.8 Ų81.826%0.25644%0.437SS..EExtended strand (participates in β ladder)trans-87.6108.3169.800000109.1R58 C119A38-R58 HydrophobicContact CB-CB 4.14Å; A38-R58 HydrophobicContact CB-CG 4.46Å; A38-C119 VanDerWaalsContact CA-SG 3.56Å; A38-C119 HydrophobicContact CB-CB 4.26Å; A38-C119 VanDerWaalsContact CB-SG 3.51Å
39K98.6Very high94Very high88 Ų8878.9 Ų78.938%0.38344%0.436SS..EExtended strand (participates in β ladder)trans-93.6130.1-179.7-62.6-58.6-167.6-179.60110.6E37 R58 A59 L61E37-K39 HydrophobicContact CB-CD 4.45Å; E37-K39 VanDerWaalsContact OE2-CE 3.23Å; E37-K39 WeakPolarHBondContact OE2-CE 3.28Å; E37-K39 IonicContact OE2-NZ 2.97Å; E37-K39 PolarHBondContact OE2-NZ 2.78Å; K39-R58 CarbonylContact O-C 3.58Å; K39-R58 WeakPolarHBondContact O-CA 3.45Å; K39-A59 PolarHBondContact N-O 2.03Å; K39-A59 PolarHBondContact O-N 3.37Å; K39-L61 HydrophobicContact CG-CB 3.96Å; K39-L61 HydrophobicContact CG-CD2 4.17Å
40N98.4Very high94.8Very high118 Ų11874 Ų7463%0.63142%0.417SS*.EExtended strand (participates in β ladder)trans-64.6137.2177.3-67.9-17.3000110.9N57 R58N40-N57 CarbonylContact C-O 3.44Å; N40-N57 WeakPolarHBondContact CA-O 3.37Å; N40-R58 PolarHBondContact OD1-NE 3.46Å
41I98.4Very high95.6Very high66 Ų6676.3 Ų76.334%0.33842%0.421SS..EExtended strand (participates in β ladder)trans-133.9158.7175.663.1165.4000110.1Q56 N57 A59I41-Q56 CarbonylContact O-C 3.49Å; I41-Q56 WeakPolarHBondContact O-CA 3.25Å; I41-N57 HydrophobicContact CD1-CB 4.21Å; I41-N57 HydrophobicContact CG1-CB 3.88Å; I41-N57 PolarHBondContact N-O 2.82Å; I41-N57 PolarHBondContact O-N 3.09Å; I41-A59 HydrophobicContact CD1-CB 4.31Å; I41-A59 HydrophobicContact CG2-CB 3.96Å
42T98.4Very high96.3Very high84 Ų8472.7 Ų72.752%0.51541%0.406SS..EExtended strand (participates in β ladder)trans-102.4116.7164.6-58.40000108.4I55 Q56T42-I55 CarbonylContact C-O 3.51Å; T42-I55 WeakPolarHBondContact CA-O 3.42Å; T42-Q56 PolarHBondContact OG1-NE2 3.5Å
43Q98.1Very high96.9Very high65 Ų6572.1 Ų72.130%0.30440%0.4SS..EExtended strand (participates in β ladder)trans-101.6134.3178.3178.2-178.9-3.200109.4S54 I55 N57Q43-S54 WeakPolarHBondContact O-CA 3.27Å; Q43-I55 HydrophobicContact CB-CG1 4.05Å; Q43-I55 PolarHBondContact N-O 2.98Å; Q43-I55 PolarHBondContact O-N 2.83Å; Q43-N57 HydrophobicContact CB-CB 4.35Å; Q43-N57 PolarHBondContact OE1-ND2 2.66Å
44I98.2Very high97.3Very high122 Ų12272.5 Ų72.563%0.62640%0.403SS*.EExtended strand (participates in β ladder)trans-94.5121.4174.5-59175.1000108.6P52I44-P52 HydrophobicContact CG2-CB 3.9Å
45V98.3Very high97.5Very high8 Ų872.8 Ų72.85%0.04840%0.403CS..EExtended strand (participates in β ladder)trans-101.4116.3175.6-174.30000107.8P52 R53 I55 V96 L98 K111 V113V45-P52 CarbonylContact O-C 3.5Å; V45-P52 WeakPolarHBondContact O-CA 3.2Å; V45-R53 PolarHBondContact N-O 2.87Å; V45-R53 PolarHBondContact O-N 3.4Å; V45-I55 HydrophobicContact CG2-CD1 3.79Å; V45-I55 HydrophobicContact CG2-CG1 3.99Å; V45-I55 HydrophobicContact CG2-CG2 4.32Å; V45-V96 HydrophobicContact CB-CG1 4.26Å; V45-V96 HydrophobicContact CG1-CB 4.41Å; V45-V96 HydrophobicContact CG1-CG1 4.21Å; V45-V96 HydrophobicContact CG2-CG1 4.4Å; V45-L98 HydrophobicContact CB-CD2 4.49Å; V45-L98 HydrophobicContact CG1-CD1 4.37Å; V45-L98 HydrophobicContact CG1-CD2 4.34Å; V45-K111 HydrophobicContact CG1-CB 4.03Å; V45-K111 HydrophobicContact CG1-CD 3.74Å; V45-K111 HydrophobicContact CG1-CG 4.37Å; V45-V113 HydrophobicContact CG1-CG2 4.16Å; V45-V113 HydrophobicContact CG2-CG2 3.86Å
46G97.1Very high97.7Very high34 Ų3474.2 Ų74.235%0.35141%0.413SS..  trans-124.6154.6-177.800000113K111G46-K111 VanDerWaalsContact O-CE 3.28Å; G46-K111 WeakPolarHBondContact O-CE 3.42Å; G46-K111 PolarHBondContact O-NZ 2.9Å
47H96.9Very high97.7Very high85 Ų8573.7 Ų73.739%0.39441%0.409SS..  trans-144.2144168.8-172.785.8000108.4G49 C50 L98H47-G49 PolarHBondContact O-N 3.33Å; H47-C50 HydrophobicContact CB-CB 4.18Å; H47-C50 VanDerWaalsContact CD2-SG 3.56Å; H47-C50 PolarHBondContact O-N 2.69Å; H47-L98 HydrophobicContact CB-CD1 3.64Å
48T95.3Very high97.8Very high134 Ų13473.7 Ų73.782%0.82241%0.405SS*.THydrogen-bonded Turntrans-59.2131.8-178.6-52.10000110.5C50T48-C50 PolarHBondContact O-N 2.56Å
49G94.8Very high97.8Very high59 Ų5974 Ų7461%0.60841%0.408SS*.THydrogen-bonded Turntrans780.7-178.200000115H47H47-G49 PolarHBondContact O-N 3.33Å
50C97.4Very high97.8Very high16 Ų1671.4 Ų71.411%0.10840%0.401CS..SBendtrans-115.7154.3177.3-48.90000112H47 T48 L98 E99 C100H47-C50 HydrophobicContact CB-CB 4.18Å; H47-C50 VanDerWaalsContact CD2-SG 3.56Å; H47-C50 PolarHBondContact O-N 2.69Å; T48-C50 PolarHBondContact O-N 2.56Å; C50-L98 HydrophobicContact CB-CB 4.01Å; C50-E99 CarbonylContact C-O 3.44Å; C50-E99 VanDerWaalsContact CA-O 3.26Å; C50-E99 WeakPolarHBondContact CA-O 3.1Å; C50-E99 WeakPolarHBondContact CB-O 3.45Å; C50-C100 HydrophobicContact CB-CB 3.96Å; C50-C100 WeakPolarHBondContact CB-SG 3.48Å; C50-C100 WeakPolarHBondContact SG-CB 3.11Å; C50-C100 CovalentContact SG-SG 2.03Å; C50-C100 PolarHBondContact SG-SG 3.44Å
51Q97.9Very high97.8Very high119 Ų11970.3 Ų70.356%0.55639%0.394SS*.  trans-71.7124172.7-66.7-61.1-31.700109.7E99 P101Q51-E99 PolarHBondContact N-O 2.56Å; Q51-P101 HydrophobicContact CG-CG 4.48Å
52P97.8Very high97.7Very high79 Ų7968.4 Ų68.451%0.51339%0.391SS..  trans-69149179.428.9-34000111.2I44 V45I44-P52 HydrophobicContact CG2-CB 3.9Å; V45-P52 CarbonylContact O-C 3.5Å; V45-P52 WeakPolarHBondContact O-CA 3.2Å
53R98.1Very high97.5Very high127 Ų12770.8 Ų70.848%0.47940%0.396SS..EExtended strand (participates in β ladder)trans-119.6135176.9-70.9-170.967.8-174.9-1.6111.7V45 V96 T97 L98V45-R53 PolarHBondContact N-O 2.87Å; V45-R53 PolarHBondContact O-N 3.4Å; R53-V96 HydrophobicContact CB-CG1 4.39Å; R53-T97 WeakPolarHBondContact CD-O 3.46Å; R53-T97 PolarHBondContact NH1-O 2.91Å; R53-L98 HydrophobicContact CB-CD2 3.75Å; R53-L98 HydrophobicContact CG-CD2 3.65Å
54S98.3Very high97.4Very high81 Ų8169.1 Ų69.157%0.56639%0.391SS*.EExtended strand (participates in β ladder)trans-87.1126.6170.6-63.40000110.3Q43Q43-S54 WeakPolarHBondContact O-CA 3.27Å
55I97.9Very high97.2Very high15 Ų1564.7 Ų64.78%0.07737%0.367CS..EExtended strand (participates in β ladder)trans-121.8149.2176.170.3168.7000110.2T42 Q43 V45 V96 V113T42-I55 CarbonylContact C-O 3.51Å; T42-I55 WeakPolarHBondContact CA-O 3.42Å; Q43-I55 HydrophobicContact CB-CG1 4.05Å; Q43-I55 PolarHBondContact N-O 2.98Å; Q43-I55 PolarHBondContact O-N 2.83Å; V45-I55 HydrophobicContact CG2-CD1 3.79Å; V45-I55 HydrophobicContact CG2-CG1 3.99Å; V45-I55 HydrophobicContact CG2-CG2 4.32Å; I55-V96 HydrophobicContact CD1-CG2 4.17Å; I55-V96 HydrophobicContact CG2-CG1 4.18Å; I55-V96 HydrophobicContact CG2-CG2 4.08Å; I55-V113 HydrophobicContact CD1-CB 4.2Å; I55-V113 HydrophobicContact CD1-CG1 3.72Å; I55-V113 HydrophobicContact CD1-CG2 4.32Å
56Q98.4Very high96.9Very high117 Ų11768.4 Ų68.455%0.54739%0.394SS..EExtended strand (participates in β ladder)trans-83.4110.2176.1-71.6-55.4-49.700109.9I41 T42 R115I41-Q56 CarbonylContact O-C 3.49Å; I41-Q56 WeakPolarHBondContact O-CA 3.25Å; T42-Q56 PolarHBondContact OG1-NE2 3.5Å; Q56-R115 PolarHBondContact O-NH1 3.15Å; Q56-R115 PolarHBondContact O-NH2 3.22Å
57N98.4Very high96.5Very high9 Ų970.3 Ų70.35%0.04839%0.391CS..EExtended strand (participates in β ladder)trans-114.2-170.9175.4-153.6-12.3000111.1N40 I41 Q43 E114 R115 I116N40-N57 CarbonylContact C-O 3.44Å; N40-N57 WeakPolarHBondContact CA-O 3.37Å; I41-N57 HydrophobicContact CD1-CB 4.21Å; I41-N57 HydrophobicContact CG1-CB 3.88Å; I41-N57 PolarHBondContact N-O 2.82Å; I41-N57 PolarHBondContact O-N 3.09Å; Q43-N57 HydrophobicContact CB-CB 4.35Å; Q43-N57 PolarHBondContact OE1-ND2 2.66Å; N57-E114 PolarHBondContact ND2-O 3.04Å; N57-R115 WeakPolarHBondContact OD1-CA 3.19Å; N57-R115 PolarHBondContact OD1-NH1 2.82Å; N57-I116 PolarHBondContact OD1-N 2.03Å; N57-I116 VanDerWaalsContact OD1-N 3.09Å
58R98.6Very high96.2Very high90 Ų9070.7 Ų70.734%0.3440%0.404SS..EExtended strand (participates in β ladder)trans-123.9155.5168-56.8-176.4178.2156.72.9110.8A38 K39 N40 I116 L117A38-R58 HydrophobicContact CB-CB 4.14Å; A38-R58 HydrophobicContact CB-CG 4.46Å; K39-R58 CarbonylContact O-C 3.58Å; K39-R58 WeakPolarHBondContact O-CA 3.45Å; N40-R58 PolarHBondContact OD1-NE 3.46Å; R58-I116 HydrophobicContact CB-CB 4.08Å; R58-I116 HydrophobicContact CB-CG2 4.13Å; R58-I116 WeakPolarHBondContact CB-O 3.13Å; R58-I116 WeakPolarHBondContact CD-O 3.45Å; R58-I116 WeakPolarHBondContact CG-O 3.44Å; R58-I116 WeakPolarHBondContact O-CD1 3.46Å; R58-L117 PolarHBondContact NH1-O 2.78Å
59A98.4Very high95.9Very high38 Ų3867.5 Ų67.531%0.31438%0.384SS..EExtended strand (participates in β ladder)trans-124.1145.4167.700000109K39 I41K39-A59 PolarHBondContact N-O 2.03Å; K39-A59 PolarHBondContact O-N 3.37Å; I41-A59 HydrophobicContact CD1-CB 4.31Å; I41-A59 HydrophobicContact CG2-CB 3.96Å
60C98.4Very high95.6Very high34 Ų3470 Ų7023%0.2339%0.39CS..EExtended strand (participates in β ladder)trans-83.9130.9176.8-60.70000110.8T87 P88 C119C60-T87 VanDerWaalsContact SG-C 3.53Å; C60-P88 VanDerWaalsContact SG-N 3.41Å; C60-C119 WeakPolarHBondContact CA-SG 3.45Å; C60-C119 HydrophobicContact CB-CB 3.7Å; C60-C119 WeakPolarHBondContact CB-SG 3.18Å; C60-C119 WeakPolarHBondContact SG-CB 3.31Å; C60-C119 CovalentContact SG-SG 2.03Å; C60-C119 PolarHBondContact SG-SG 3.48Å
61L98.1Very high95.2Very high94 Ų9473.7 Ų73.749%0.49241%0.408SS..EExtended strand (participates in β ladder)trans-137.3130.1176.6177.966.7000109.3W35 E37 K39 C86W35-L61 HydrophobicContact CH2-CD2 4.2Å; W35-L61 HydrophobicContact CH2-CG 3.89Å; W35-L61 HydrophobicContact CZ3-CG 4.19Å; W35-L61 WeakPolarHBondContact CZ3-O 3.41Å; E37-L61 PolarHBondContact N-O 3.47Å; E37-L61 PolarHBondContact O-N 2.92Å; K39-L61 HydrophobicContact CG-CB 3.96Å; K39-L61 HydrophobicContact CG-CD2 4.17Å; L61-C86 PolarHBondContact O-SG 2.74Å
62G96.7Very high94.7Very high26 Ų2672.4 Ų72.427%0.26841%0.408SS..EExtended strand (participates in β ladder)trans-174.4176.1-177.700000114.8W35W35-G62 CarbonylContact O-C 3.57Å; W35-G62 WeakPolarHBondContact O-CA 3.42Å
63Q95.3Very high94Very high134 Ų13478.4 Ų78.463%0.62643%0.427SS*.EExtended strand (participates in β ladder)trans-128.4111.4170.2-65.4178.76.600107.8A34 W35A34-Q63 CarbonylContact C-O 3.6Å; A34-Q63 WeakPolarHBondContact CA-O 3.33Å; A34-Q63 WeakPolarHBondContact CB-O 3.23Å; W35-Q63 HydrophobicContact CZ2-CG 4.18Å; W35-Q63 PolarHBondContact N-O 3.31Å; W35-Q63 PolarHBondContact O-N 2.93Å
64C95Very high93.5Very high30 Ų3077.3 Ų77.320%0.20344%0.436CS..  trans-109.4164.1-179-600000110.7D84 S85 C86 C121C64-D84 HydrophobicContact CB-CB 3.78Å; C64-D84 VanDerWaalsContact CB-O 3.26Å; C64-D84 WeakPolarHBondContact CB-O 3.32Å; C64-S85 VanDerWaalsContact SG-C 3.54Å; C64-C86 PolarHBondContact SG-N 3.01Å; C64-C86 VanDerWaalsContact SG-N 3.4Å; C64-C121 VanDerWaalsContact CA-SG 3.59Å; C64-C121 HydrophobicContact CB-CB 3.8Å; C64-C121 WeakPolarHBondContact CB-SG 3.23Å; C64-C121 WeakPolarHBondContact SG-CA 3.38Å; C64-C121 WeakPolarHBondContact SG-CB 3.1Å; C64-C121 CovalentContact SG-SG 2.04Å; C64-C121 PolarHBondContact SG-SG 2.94Å
65F93.3Very high92.9Very high29 Ų2978.9 Ų78.913%0.12744%0.435CS..  trans-83142.9-177.1-69.6-59000112.5N24 L26 K32 A34 D84N24-F65 WeakPolarHBondContact O-CE2 3.46Å; L26-F65 HydrophobicContact CD1-CB 3.85Å; L26-F65 HydrophobicContact CD1-CD1 3.6Å; L26-F65 HydrophobicContact CD1-CD2 4.09Å; L26-F65 HydrophobicContact CD1-CE1 4.14Å; L26-F65 HydrophobicContact CD1-CG 3.58Å; L26-F65 HydrophobicContact CD2-CD2 4.32Å; L26-F65 HydrophobicContact CD2-CG 4.46Å; L26-F65 HydrophobicContact CG-CB 4.25Å; L26-F65 HydrophobicContact CG-CD1 4.09Å; L26-F65 HydrophobicContact CG-CD2 3.71Å; L26-F65 HydrophobicContact CG-CE1 4.37Å; L26-F65 HydrophobicContact CG-CE2 4Å; L26-F65 HydrophobicContact CG-CG 3.76Å; L26-F65 HydrophobicContact CG-CZ 4.32Å; K32-F65 HydrophobicContact CB-CE1 4.05Å; K32-F65 HydrophobicContact CB-CZ 4.32Å; K32-F65 WeakPolarHBondContact O-CZ 3.08Å; A34-F65 HydrophobicContact CB-CD2 3.65Å; A34-F65 HydrophobicContact CB-CE2 3.5Å; A34-F65 HydrophobicContact CB-CG 4.33Å; A34-F65 HydrophobicContact CB-CZ 4.06Å; F65-D84 PolarHBondContact O-N 2.67Å
66S92.2Very high92Very high87 Ų8783 Ų8361%0.60847%0.465SS*.EExtended strand (participates in β ladder)trans-138.3145.1161580000109H82S66-H82 CarbonylContact C-O 3.08Å; S66-H82 VanDerWaalsContact CA-O 3.26Å; S66-H82 WeakPolarHBondContact CA-O 3.12Å
67Y89.9Confident91.3Very high73 Ų7382.2 Ų82.229%0.28647%0.468SS..EExtended strand (participates in β ladder)trans-154.4154.1176.360.9-92.3000111L26 V69 A81 H82L26-Y67 HydrophobicContact CD1-CD1 3.93Å; L26-Y67 HydrophobicContact CD1-CE1 4.33Å; L26-Y67 HydrophobicContact CD2-CD1 4.18Å; L26-Y67 HydrophobicContact CD2-CE1 3.72Å; Y67-V69 HydrophobicContact CD2-CG2 4.46Å; Y67-A81 WeakPolarHBondContact O-CA 3.42Å; Y67-H82 HydrophobicContact CD1-CB 3.9Å; Y67-H82 HydrophobicContact CD2-CB 4.23Å; Y67-H82 HydrophobicContact CE1-CB 3.42Å; Y67-H82 VanDerWaalsContact CE1-CB 3.42Å; Y67-H82 AromaticContact CE1-CD2 3.59Å; Y67-H82 AromaticContact CE1-CG 3.66Å; Y67-H82 HydrophobicContact CE2-CB 3.8Å; Y67-H82 HydrophobicContact CG-CB 4.28Å; Y67-H82 AromaticContact CZ-CG 3.88Å; Y67-H82 PolarHBondContact N-O 2.8Å; Y67-H82 PolarHBondContact O-N 3.12Å
68S90.5Very high90.5Very high94 Ų9490.3 Ų90.366%0.65751%0.505SS*.EExtended strand (participates in β ladder)trans-132.1138.7169.757.90000108.9
69V88.3Confident89.8Confident66 Ų6689.6 Ų89.640%0.451%0.514SS..PPolyproline II helixtrans-98.4126.6176.2-179.50000107.9Y67 L80Y67-V69 HydrophobicContact CD2-CG2 4.46Å; V69-L80 HydrophobicContact CB-CB 4.27Å; V69-L80 HydrophobicContact CG2-CB 4.36Å; V69-L80 HydrophobicContact CG2-CD2 3.99Å; V69-L80 HydrophobicContact CG2-CG 4.36Å; V69-L80 PolarHBondContact N-O 3.32Å
70P88.9Confident89.2Confident113 Ų11392.4 Ų92.473%0.73452%0.523SS*.PPolyproline II helixtrans-63.6142.3-179.926.3-33.9000111.3
71N89.4Confident88.8Confident93 Ų9394.3 Ų94.350%0.49754%0.542SS..PPolyproline II helixtrans-75.8149.5178.2-65.8-51.8000111.4Q75 S79N71-Q75 PolarHBondContact OD1-NE2 2.8Å; N71-S79 WeakPolarHBondContact OD1-CA 3.41Å
72T86.2Confident88.4Confident91 Ų9192.6 Ų92.656%0.55853%0.531SS*.  trans-109.6154.4171.755.30000110.4P74 Q75T72-P74 CarbonylContact O-C 3.59Å; T72-Q75 VanDerWaalsContact O-CA 3.23Å; T72-Q75 WeakPolarHBondContact O-CA 3.2Å; T72-Q75 PolarHBondContact O-N 2.78Å
73F84.6Confident88.2Confident205 Ų20594.1 Ų94.190%0.89954%0.537SS*.SBendtrans-119.9130173.3-172.4-92.8000110.4
74P87.5Confident88.1Confident105 Ų10589.3 Ų89.368%0.68252%0.515SS*.SBendcis-68.1145.3-3.830.2-34.9000111.7T72 S76T72-P74 CarbonylContact O-C 3.59Å; P74-S76 PolarHBondContact O-N 3.3Å
75Q85.2Confident88.2Confident114 Ų11489.7 Ų89.753%0.53352%0.519SS..  trans-72.8122.6-173.3-172.616820.300111.1N71 T72 T77N71-Q75 PolarHBondContact OD1-NE2 2.8Å; T72-Q75 VanDerWaalsContact O-CA 3.23Å; T72-Q75 WeakPolarHBondContact O-CA 3.2Å; T72-Q75 PolarHBondContact O-N 2.78Å; Q75-T77 WeakPolarHBondContact CG-O 3.34Å; Q75-T77 PolarHBondContact NE2-O 2.62Å
76S78.7Confident88.4Confident101 Ų10189.7 Ų89.771%0.70652%0.522SS*.  trans-100.2-18.6179.357.10000114P74P74-S76 PolarHBondContact O-N 3.3Å
77T83Confident88.6Confident100 Ų10087.4 Ų87.461%0.61350%0.504SS*.SBendtrans-140.7156.5-179.5620000111.3Q75Q75-T77 WeakPolarHBondContact CG-O 3.34Å; Q75-T77 PolarHBondContact NE2-O 2.62Å
78E83Confident88.9Confident179 Ų17986.6 Ų86.684%0.83651%0.508SS*.  trans-57.9152.6170.9-64.5-168.9162.300111.5L80E78-L80 PolarHBondContact O-N 2.83Å
79S82.7Confident89.2Confident76 Ų7684.6 Ų84.653%0.53150%0.497SS..  trans-62.4116.2176.9179.50000110N71N71-S79 WeakPolarHBondContact OD1-CA 3.41Å
80L86.1Confident89.6Confident96 Ų9686.1 Ų86.150%0.50350%0.5SS..  trans-95.5110.3-177.4-176.465.3000110.9V69 E78V69-L80 HydrophobicContact CB-CB 4.27Å; V69-L80 HydrophobicContact CG2-CB 4.36Å; V69-L80 HydrophobicContact CG2-CD2 3.99Å; V69-L80 HydrophobicContact CG2-CG 4.36Å; V69-L80 PolarHBondContact N-O 3.32Å; E78-L80 PolarHBondContact O-N 2.83Å
81A89.8Confident90Very high75 Ų7583.3 Ų83.362%0.6248%0.48SS*.EExtended strand (participates in β ladder)trans-131.6136.917100000110.3Y67Y67-A81 WeakPolarHBondContact O-CA 3.42Å
82H90.1Very high90.4Very high58 Ų5884.4 Ų84.427%0.26948%0.483SS..EExtended strand (participates in β ladder)trans-128.7142.4179.7-176.374.2000110.1S66 Y67 D84S66-H82 CarbonylContact C-O 3.08Å; S66-H82 VanDerWaalsContact CA-O 3.26Å; S66-H82 WeakPolarHBondContact CA-O 3.12Å; Y67-H82 HydrophobicContact CD1-CB 3.9Å; Y67-H82 HydrophobicContact CD2-CB 4.23Å; Y67-H82 HydrophobicContact CE1-CB 3.42Å; Y67-H82 VanDerWaalsContact CE1-CB 3.42Å; Y67-H82 AromaticContact CE1-CD2 3.59Å; Y67-H82 AromaticContact CE1-CG 3.66Å; Y67-H82 HydrophobicContact CE2-CB 3.8Å; Y67-H82 HydrophobicContact CG-CB 4.28Å; Y67-H82 AromaticContact CZ-CG 3.88Å; Y67-H82 PolarHBondContact N-O 2.8Å; Y67-H82 PolarHBondContact O-N 3.12Å; H82-D84 IonicContact CD2-OD2 3.5Å; H82-D84 IonicContact CE1-OD1 3.41Å; H82-D84 PolarHBondContact CE1-OD1 3.49Å; H82-D84 IonicContact CE1-OD2 3.67Å; H82-D84 IonicContact NE2-OD1 2.81Å; H82-D84 PolarHBondContact NE2-OD1 2.95Å; H82-D84 IonicContact NE2-OD2 3.83Å; H82-D84 PolarHBondContact NE2-OD2 2.04Å
83C92.7Very high91Very high57 Ų5787.6 Ų87.639%0.38549%0.485SS..EExtended strand (participates in β ladder)trans-148125177.9-176.80000109S123 C124C83-S123 CarbonylContact O-C 3.6Å; C83-S123 VanDerWaalsContact O-CA 3.31Å; C83-S123 WeakPolarHBondContact O-CA 3.1Å; C83-C124 HydrophobicContact CB-CB 3.68Å; C83-C124 WeakPolarHBondContact CB-SG 3.44Å; C83-C124 PolarHBondContact O-N 3.35Å; C83-C124 PolarHBondContact O-SG 3.34Å; C83-C124 VanDerWaalsContact O-SG 3.35Å; C83-C124 WeakPolarHBondContact SG-CB 3.23Å; C83-C124 CovalentContact SG-SG 2.04Å; C83-C124 PolarHBondContact SG-SG 3.01Å
84D94Very high91.6Very high33 Ų3381.6 Ų81.618%0.17646%0.46CS..EExtended strand (participates in β ladder)trans-115.5148165.8-64.5-37.5000110.9C64 F65 H82 C121 Q122 S123 C124C64-D84 HydrophobicContact CB-CB 3.78Å; C64-D84 VanDerWaalsContact CB-O 3.26Å; C64-D84 WeakPolarHBondContact CB-O 3.32Å; F65-D84 PolarHBondContact O-N 2.67Å; H82-D84 IonicContact CD2-OD2 3.5Å; H82-D84 IonicContact CE1-OD1 3.41Å; H82-D84 PolarHBondContact CE1-OD1 3.49Å; H82-D84 IonicContact CE1-OD2 3.67Å; H82-D84 IonicContact NE2-OD1 2.81Å; H82-D84 PolarHBondContact NE2-OD1 2.95Å; H82-D84 IonicContact NE2-OD2 3.83Å; H82-D84 PolarHBondContact NE2-OD2 2.04Å; D84-C121 HydrophobicContact CB-CB 4.17Å; D84-Q122 CarbonylContact C-O 3.54Å; D84-Q122 WeakPolarHBondContact CA-O 3.04Å; D84-S123 WeakPolarHBondContact OD1-CA 3.05Å; D84-S123 PolarHBondContact OD1-N 2.85Å; D84-C124 PolarHBondContact N-SG 2.82Å
85S95.5Very high92.1Very high39 Ų3980.5 Ų80.527%0.27345%0.45SS..EExtended strand (participates in β ladder)trans-131.6150.5175.261.50000110.5C64 T87 Q122C64-S85 VanDerWaalsContact SG-C 3.54Å; S85-T87 PolarHBondContact O-N 3.12Å; S85-T87 WeakPolarHBondContact OG-CG2 3.2Å; S85-Q122 PolarHBondContact N-O 2.82Å; S85-Q122 PolarHBondContact O-N 2.89Å
86C97.2Very high92.7Very high28 Ų2875.2 Ų75.219%0.18943%0.426CS..EExtended strand (participates in β ladder)trans-81.4100.7179.8-179.90000109.7C36 L61 C64C36-C86 VanDerWaalsContact CA-SG 3.54Å; C36-C86 HydrophobicContact CB-CB 3.81Å; C36-C86 WeakPolarHBondContact CB-SG 3.17Å; C36-C86 WeakPolarHBondContact SG-CA 3.39Å; C36-C86 WeakPolarHBondContact SG-CB 3.35Å; C36-C86 CovalentContact SG-SG 2.03Å; C36-C86 PolarHBondContact SG-SG 3.35Å; L61-C86 PolarHBondContact O-SG 2.74Å; C64-C86 PolarHBondContact SG-N 3.01Å; C64-C86 VanDerWaalsContact SG-N 3.4Å
87T96.6Very high93.7Very high40 Ų4072.4 Ų72.425%0.24541%0.405CS..EExtended strand (participates in β ladder)trans-128.1163.7-172.256.70000111.6C60 S85 A89 C119 S120 Q122C60-T87 VanDerWaalsContact SG-C 3.53Å; S85-T87 PolarHBondContact O-N 3.12Å; S85-T87 WeakPolarHBondContact OG-CG2 3.2Å; T87-A89 PolarHBondContact O-N 2.85Å; T87-C119 WeakPolarHBondContact O-CA 3.26Å; T87-S120 PolarHBondContact N-O 3.23Å; T87-S120 PolarHBondContact O-N 2.98Å; T87-S120 VanDerWaalsContact O-N 3.12Å; T87-Q122 PolarHBondContact O-NE2 3.41Å; T87-Q122 PolarHBondContact OG1-NE2 3.17Å; T87-Q122 VanDerWaalsContact OG1-NE2 3.12Å
88P97.4Very high94.4Very high56 Ų5667.7 Ų67.736%0.36438%0.376SS..EExtended strand (participates in β ladder)trans-57.9124.7175.8-23.834.7000111.5C60 T91 I116 Q122C60-P88 VanDerWaalsContact SG-N 3.41Å; P88-T91 HydrophobicContact CB-CG2 3.57Å; P88-T91 HydrophobicContact CG-CG2 4.48Å; P88-I116 HydrophobicContact CB-CD1 4.45Å; P88-I116 HydrophobicContact CB-CG1 4.22Å; P88-I116 HydrophobicContact CB-CG2 4.4Å; P88-I116 HydrophobicContact CG-CD1 3.76Å; P88-I116 HydrophobicContact CG-CG1 4.05Å; P88-Q122 PolarHBondContact O-NE2 3.03Å
89A96Very high95.1Very high51 Ų5163.1 Ų63.142%0.42135%0.354SS..EExtended strand (participates in β ladder)trans-94.4-27.5176.800000112.1T87 H118 S120T87-A89 PolarHBondContact O-N 2.85Å; A89-H118 HydrophobicContact CB-CB 4.32Å; A89-H118 PolarHBondContact N-O 3.19Å; A89-S120 WeakPolarHBondContact CB-OG 3.48Å
90Q97.3Very high95.8Very high99 Ų9959.6 Ų59.646%0.46333%0.33SS..EExtended strand (participates in β ladder)trans-146.9129.4174.6-170.2-178.914.900109.1L117 H118Q90-L117 HydrophobicContact CB-CB 4.26Å; Q90-L117 HydrophobicContact CG-CB 4.34Å; Q90-L117 HydrophobicContact CG-CD1 4.1Å; Q90-L117 PolarHBondContact O-N 3.13Å; Q90-H118 HydrophobicContact CB-CB 4.32Å; Q90-H118 PolarHBondContact N-O 3.41Å; Q90-H118 PolarHBondContact O-N 3.2Å; Q90-H118 PolarHBondContact OE1-CD2 3.3Å
91T97.9Very high96.2Very high53 Ų5359.7 Ų59.733%0.32534%0.336SS..EExtended strand (participates in β ladder)trans-126.6160.6174.566.60000111.5P88 E114 R115 I116P88-T91 HydrophobicContact CB-CG2 3.57Å; P88-T91 HydrophobicContact CG-CG2 4.48Å; T91-E114 VanDerWaalsContact CB-OE1 3.26Å; T91-E114 WeakPolarHBondContact CB-OE1 3.26Å; T91-E114 HydrophobicContact CG2-CG 4.12Å; T91-E114 WeakPolarHBondContact CG2-OE1 3.46Å; T91-E114 PolarHBondContact OG1-OE1 2.64Å; T91-R115 CarbonylContact C-O 3.43Å; T91-R115 WeakPolarHBondContact CA-O 3.46Å; T91-I116 HydrophobicContact CG2-CG1 4.23Å
92Q97.6Very high96.1Very high117 Ų11759.7 Ų59.755%0.54734%0.344SS..EExtended strand (participates in β ladder)trans-139.6145.3175178.5176.812.300109.2R115 L117Q92-R115 HydrophobicContact CB-CB 4.46Å; Q92-R115 PolarHBondContact N-O 2.86Å; Q92-R115 WeakPolarHBondContact O-CA 3.44Å; Q92-R115 WeakPolarHBondContact O-CB 3.04Å; Q92-R115 WeakPolarHBondContact O-CG 3.34Å; Q92-R115 PolarHBondContact O-N 2.89Å; Q92-L117 HydrophobicContact CB-CD1 4.17Å; Q92-L117 HydrophobicContact CB-CG 4.49Å
93W98.1Very high96.1Very high157 Ų15758.6 Ų58.660%0.59534%0.343SS*.EExtended strand (participates in β ladder)trans-86.4131.2170.8-68101.2000110.9L112 E114W93-L112 HydrophobicContact CB-CD2 4.42Å; W93-L112 HydrophobicContact CE3-CB 3.96Å; W93-L112 HydrophobicContact CZ3-CB 4.29Å; W93-E114 HydrophobicContact CE3-CB 4.15Å; W93-E114 HydrophobicContact CH2-CB 3.97Å; W93-E114 HydrophobicContact CZ2-CB 4.44Å; W93-E114 HydrophobicContact CZ3-CB 3.81Å
94E97.4Very high95.8Very high80 Ų8064.6 Ų64.637%0.37437%0.365SS..EExtended strand (participates in β ladder)trans-121.8136.7174.7-179.6179.6156.200109.8V113 R115E94-V113 PolarHBondContact N-O 2.63Å; E94-V113 PolarHBondContact O-N 3.24Å; E94-R115 HydrophobicContact CB-CG 3.48Å; E94-R115 VanDerWaalsContact CB-CG 3.48Å; E94-R115 VanDerWaalsContact OE2-CD 3.23Å; E94-R115 WeakPolarHBondContact OE2-CD 3.36Å; E94-R115 IonicContact OE2-CZ 3.5Å; E94-R115 IonicContact OE2-NE 3.16Å; E94-R115 PolarHBondContact OE2-NE 2.82Å; E94-R115 IonicContact OE2-NH2 3.75Å
95V98.2Very high95.5Very high81 Ų8170.9 Ų70.949%0.49140%0.399SS..EExtended strand (participates in β ladder)trans-88122.7174.4-179.40000109.2D110 K111 L112V95-D110 HydrophobicContact CG1-CB 3.77Å; V95-K111 CarbonylContact C-O 3.6Å; V95-K111 WeakPolarHBondContact CA-O 3.33Å; V95-L112 HydrophobicContact CG2-CD2 3.68Å
96V98.2Very high95.2Very high4 Ų471.9 Ų71.92%0.02441%0.406CS..EExtended strand (participates in β ladder)trans-111.9108.5175.1-179.20000109.1V45 R53 I55 L98 K111 V113V45-V96 HydrophobicContact CB-CG1 4.26Å; V45-V96 HydrophobicContact CG1-CB 4.41Å; V45-V96 HydrophobicContact CG1-CG1 4.21Å; V45-V96 HydrophobicContact CG2-CG1 4.4Å; R53-V96 HydrophobicContact CB-CG1 4.39Å; I55-V96 HydrophobicContact CD1-CG2 4.17Å; I55-V96 HydrophobicContact CG2-CG1 4.18Å; I55-V96 HydrophobicContact CG2-CG2 4.08Å; V96-L98 HydrophobicContact CG1-CD2 4.13Å; V96-K111 PolarHBondContact N-O 3.34Å; V96-K111 PolarHBondContact O-N 3.18Å; V96-V113 HydrophobicContact CB-CG2 4.29Å; V96-V113 HydrophobicContact CG2-CB 4.36Å; V96-V113 HydrophobicContact CG2-CG2 3.78Å
97T98.1Very high95Very high42 Ų4274 Ų7426%0.25842%0.419SS..EExtended strand (participates in β ladder)trans-80.8126.3174.1-48.90000110.7R53 R108 D110R53-T97 WeakPolarHBondContact CD-O 3.46Å; R53-T97 PolarHBondContact NH1-O 2.91Å; T97-R108 HydrophobicContact CG2-CB 4.03Å; T97-R108 HydrophobicContact CG2-CG 4.24Å; T97-D110 WeakPolarHBondContact CA-OD1 3.21Å; T97-D110 WeakPolarHBondContact CB-OD1 3.07Å; T97-D110 VanDerWaalsContact CG2-OD1 3.27Å; T97-D110 WeakPolarHBondContact CG2-OD1 3.32Å; T97-D110 PolarHBondContact OG1-OD1 3.41Å
98L98.3Very high95Very high0 Ų079.5 Ų79.50%044%0.435CS..EExtended strand (participates in β ladder)trans-105.8143.4173.8-54.7-179.7000109.9V45 H47 C50 R53 V96 R108 V109 K111V45-L98 HydrophobicContact CB-CD2 4.49Å; V45-L98 HydrophobicContact CG1-CD1 4.37Å; V45-L98 HydrophobicContact CG1-CD2 4.34Å; H47-L98 HydrophobicContact CB-CD1 3.64Å; C50-L98 HydrophobicContact CB-CB 4.01Å; R53-L98 HydrophobicContact CB-CD2 3.75Å; R53-L98 HydrophobicContact CG-CD2 3.65Å; V96-L98 HydrophobicContact CG1-CD2 4.13Å; L98-R108 VanDerWaalsContact O-CA 3.25Å; L98-R108 WeakPolarHBondContact O-CA 3.14Å; L98-V109 PolarHBondContact N-O 2.04Å; L98-V109 PolarHBondContact O-N 2.65Å; L98-K111 HydrophobicContact CD1-CD 4.31Å
99E97.9Very high95Very high83 Ų8378.4 Ų78.439%0.38843%0.427SS..EExtended strand (participates in β ladder)trans-93.8135.3176.6-57.8-64.2131.800110.5C50 Q51 P101 R108C50-E99 CarbonylContact C-O 3.44Å; C50-E99 VanDerWaalsContact CA-O 3.26Å; C50-E99 WeakPolarHBondContact CA-O 3.1Å; C50-E99 WeakPolarHBondContact CB-O 3.45Å; Q51-E99 PolarHBondContact N-O 2.56Å; E99-P101 WeakPolarHBondContact O-CD 3.07Å; E99-R108 VanDerWaalsContact CD-NE 3.28Å; E99-R108 WeakPolarHBondContact OE1-CD 3.34Å; E99-R108 IonicContact OE1-CZ 2.78Å; E99-R108 IonicContact OE1-NE 3.78Å; E99-R108 PolarHBondContact OE1-NE 3.1Å; E99-R108 IonicContact OE1-NH2 3.19Å; E99-R108 IonicContact OE2-CZ 2.69Å; E99-R108 IonicContact OE2-NE 3.91Å; E99-R108 PolarHBondContact OE2-NE 3.46Å; E99-R108 IonicContact OE2-NH2 2.56Å; E99-R108 PolarHBondContact OE2-NH2 3.12Å; E99-R108 VanDerWaalsContact OE2-NH2 3.16Å
100C97Very high95.1Very high3 Ų380.8 Ų80.82%0.0243%0.433CS..  trans-125.276-171.2-45.60000110.4C50 G102 S103 P107C50-C100 HydrophobicContact CB-CB 3.96Å; C50-C100 WeakPolarHBondContact CB-SG 3.48Å; C50-C100 WeakPolarHBondContact SG-CB 3.11Å; C50-C100 CovalentContact SG-SG 2.03Å; C50-C100 PolarHBondContact SG-SG 3.44Å; C100-G102 PolarHBondContact O-N 2.79Å; C100-S103 PolarHBondContact O-N 3.34Å; C100-S103 VanDerWaalsContact O-N 3.17Å; C100-P107 PolarHBondContact N-O 2.93Å
101P94.4Very high95.1Very high97 Ų9779.5 Ų79.563%0.6343%0.426SS*.THydrogen-bonded Turntrans-67.5-11.5-170.528.3-36.2000114.4Q51 E99Q51-P101 HydrophobicContact CG-CG 4.48Å; E99-P101 WeakPolarHBondContact O-CD 3.07Å
102G89.1Confident95.1Very high76 Ų7682.7 Ų82.778%0.78444%0.44SS*.THydrogen-bonded Turntrans-90.71.3177.500000114.7C100C100-G102 PolarHBondContact O-N 2.79Å
103S88.9Confident95.2Very high35 Ų3577.7 Ų77.725%0.24542%0.418CS..  trans-122.5114.9-179-176.70000110.4C100 S106C100-S103 PolarHBondContact O-N 3.34Å; C100-S103 VanDerWaalsContact O-N 3.17Å; S103-S106 WeakPolarHBondContact CB-O 3.26Å; S103-S106 PolarHBondContact OG-N 3.25Å; S103-S106 PolarHBondContact OG-O 3.33Å; S103-S106 PolarHBondContact OG-OG 3.03Å
104E86.8Confident95.2Very high182 Ų18274.3 Ų74.385%0.8541%0.408SS*.SBendtrans-72.8-38.2175-71.1-71.4124.900111.4
105D87.9Confident95.2Very high166 Ų16672.3 Ų72.389%0.88840%0.398SS*.SBendtrans-78.4-28.1-178.3-63.9-41.4000112.9
106S88.9Confident95.2Very high60 Ų6069.9 Ų69.942%0.4238%0.382SS..  trans-135.672-178.158.70000111.9S103 R108S103-S106 WeakPolarHBondContact CB-O 3.26Å; S103-S106 PolarHBondContact OG-N 3.25Å; S103-S106 PolarHBondContact OG-O 3.33Å; S103-S106 PolarHBondContact OG-OG 3.03Å; S106-R108 PolarHBondContact O-N 2.89Å; S106-R108 VanDerWaalsContact O-N 3.1Å
107P93.3Very high95.2Very high71 Ų7171.8 Ų71.846%0.46139%0.391SS..SBendtrans-69.8-9.3-176.428.6-36.2000113.5C100C100-P107 PolarHBondContact N-O 2.93Å
108R96.6Very high95.2Very high156 Ų15674.8 Ų74.859%0.58940%0.402SS*.EExtended strand (participates in β ladder)trans-141.7147.7178.6-65.9-176.3174.1115.116.4111.8T97 L98 E99 S106T97-R108 HydrophobicContact CG2-CB 4.03Å; T97-R108 HydrophobicContact CG2-CG 4.24Å; L98-R108 VanDerWaalsContact O-CA 3.25Å; L98-R108 WeakPolarHBondContact O-CA 3.14Å; E99-R108 VanDerWaalsContact CD-NE 3.28Å; E99-R108 WeakPolarHBondContact OE1-CD 3.34Å; E99-R108 IonicContact OE1-CZ 2.78Å; E99-R108 IonicContact OE1-NE 3.78Å; E99-R108 PolarHBondContact OE1-NE 3.1Å; E99-R108 IonicContact OE1-NH2 3.19Å; E99-R108 IonicContact OE2-CZ 2.69Å; E99-R108 IonicContact OE2-NE 3.91Å; E99-R108 PolarHBondContact OE2-NE 3.46Å; E99-R108 IonicContact OE2-NH2 2.56Å; E99-R108 PolarHBondContact OE2-NH2 3.12Å; E99-R108 VanDerWaalsContact OE2-NH2 3.16Å; S106-R108 PolarHBondContact O-N 2.89Å; S106-R108 VanDerWaalsContact O-N 3.1Å
109V97.4Very high95.1Very high33 Ų3375.6 Ų75.620%0.241%0.408CS..EExtended strand (participates in β ladder)trans-132126.9172.8172.60000109.6L98L98-V109 PolarHBondContact N-O 2.04Å; L98-V109 PolarHBondContact O-N 2.65Å
110D97.9Very high95Very high102 Ų10272.7 Ų72.755%0.54540%0.397SS..EExtended strand (participates in β ladder)trans-89.3134.3173.6-74.3-17.1000110.8V95 T97V95-D110 HydrophobicContact CG1-CB 3.77Å; T97-D110 WeakPolarHBondContact CA-OD1 3.21Å; T97-D110 WeakPolarHBondContact CB-OD1 3.07Å; T97-D110 VanDerWaalsContact CG2-OD1 3.27Å; T97-D110 WeakPolarHBondContact CG2-OD1 3.32Å; T97-D110 PolarHBondContact OG1-OD1 3.41Å
111K97.7Very high95Very high72 Ų7273.5 Ų73.531%0.31340%0.402SS..EExtended strand (participates in β ladder)trans-119.2131.1171.7-74.9-159.2159.4-163.80111V45 G46 V95 V96 L98V45-K111 HydrophobicContact CG1-CB 4.03Å; V45-K111 HydrophobicContact CG1-CD 3.74Å; V45-K111 HydrophobicContact CG1-CG 4.37Å; G46-K111 VanDerWaalsContact O-CE 3.28Å; G46-K111 WeakPolarHBondContact O-CE 3.42Å; G46-K111 PolarHBondContact O-NZ 2.9Å; V95-K111 CarbonylContact C-O 3.6Å; V95-K111 WeakPolarHBondContact CA-O 3.33Å; V96-K111 PolarHBondContact N-O 3.34Å; V96-K111 PolarHBondContact O-N 3.18Å; L98-K111 HydrophobicContact CD1-CD 4.31Å
112L98.1Very high94.9Very high120 Ų12072.3 Ų72.363%0.62839%0.388SS*.EExtended strand (participates in β ladder)trans-78.1123.5166.3-72.5169.5000109.2W93 V95W93-L112 HydrophobicContact CB-CD2 4.42Å; W93-L112 HydrophobicContact CE3-CB 3.96Å; W93-L112 HydrophobicContact CZ3-CB 4.29Å; V95-L112 HydrophobicContact CG2-CD2 3.68Å
113V98.3Very high95.1Very high11 Ų1172.9 Ų72.97%0.06738%0.38CS..EExtended strand (participates in β ladder)trans-119.1129.2176.8-174.90000108.8V45 I55 E94 V96V45-V113 HydrophobicContact CG1-CG2 4.16Å; V45-V113 HydrophobicContact CG2-CG2 3.86Å; I55-V113 HydrophobicContact CD1-CB 4.2Å; I55-V113 HydrophobicContact CD1-CG1 3.72Å; I55-V113 HydrophobicContact CD1-CG2 4.32Å; E94-V113 PolarHBondContact N-O 2.63Å; E94-V113 PolarHBondContact O-N 3.24Å; V96-V113 HydrophobicContact CB-CG2 4.29Å; V96-V113 HydrophobicContact CG2-CB 4.36Å; V96-V113 HydrophobicContact CG2-CG2 3.78Å
114E98.2Very high95.3Very high86 Ų8673 Ų7340%0.40238%0.381SS..EExtended strand (participates in β ladder)trans-75.1128.2172.9-171.6174.8-151.700110.3N57 T91 W93N57-E114 PolarHBondContact ND2-O 3.04Å; T91-E114 VanDerWaalsContact CB-OE1 3.26Å; T91-E114 WeakPolarHBondContact CB-OE1 3.26Å; T91-E114 HydrophobicContact CG2-CG 4.12Å; T91-E114 WeakPolarHBondContact CG2-OE1 3.46Å; T91-E114 PolarHBondContact OG1-OE1 2.64Å; W93-E114 HydrophobicContact CE3-CB 4.15Å; W93-E114 HydrophobicContact CH2-CB 3.97Å; W93-E114 HydrophobicContact CZ2-CB 4.44Å; W93-E114 HydrophobicContact CZ3-CB 3.81Å
115R98.1Very high95.1Very high39 Ų3969.2 Ų69.215%0.14737%0.374CS..EExtended strand (participates in β ladder)trans-110.5117.5-175.2-52.7-66.6-71.6143.325.1108.8Q56 N57 T91 Q92 E94 L117Q56-R115 PolarHBondContact O-NH1 3.15Å; Q56-R115 PolarHBondContact O-NH2 3.22Å; N57-R115 WeakPolarHBondContact OD1-CA 3.19Å; N57-R115 PolarHBondContact OD1-NH1 2.82Å; T91-R115 CarbonylContact C-O 3.43Å; T91-R115 WeakPolarHBondContact CA-O 3.46Å; Q92-R115 HydrophobicContact CB-CB 4.46Å; Q92-R115 PolarHBondContact N-O 2.86Å; Q92-R115 WeakPolarHBondContact O-CA 3.44Å; Q92-R115 WeakPolarHBondContact O-CB 3.04Å; Q92-R115 WeakPolarHBondContact O-CG 3.34Å; Q92-R115 PolarHBondContact O-N 2.89Å; E94-R115 HydrophobicContact CB-CG 3.48Å; E94-R115 VanDerWaalsContact CB-CG 3.48Å; E94-R115 VanDerWaalsContact OE2-CD 3.23Å; E94-R115 WeakPolarHBondContact OE2-CD 3.36Å; E94-R115 IonicContact OE2-CZ 3.5Å; E94-R115 IonicContact OE2-NE 3.16Å; E94-R115 PolarHBondContact OE2-NE 2.82Å; E94-R115 IonicContact OE2-NH2 3.75Å; R115-L117 PolarHBondContact O-N 2.92Å
116I98.5Very high94Very high30 Ų3070.6 Ų70.615%0.15437%0.372CS..EExtended strand (participates in β ladder)trans-82.3120.3177.5-65.5172.2000108.4N57 R58 P88 T91N57-I116 PolarHBondContact OD1-N 2.03Å; N57-I116 VanDerWaalsContact OD1-N 3.09Å; R58-I116 HydrophobicContact CB-CB 4.08Å; R58-I116 HydrophobicContact CB-CG2 4.13Å; R58-I116 WeakPolarHBondContact CB-O 3.13Å; R58-I116 WeakPolarHBondContact CD-O 3.45Å; R58-I116 WeakPolarHBondContact CG-O 3.44Å; R58-I116 WeakPolarHBondContact O-CD1 3.46Å; P88-I116 HydrophobicContact CB-CD1 4.45Å; P88-I116 HydrophobicContact CB-CG1 4.22Å; P88-I116 HydrophobicContact CB-CG2 4.4Å; P88-I116 HydrophobicContact CG-CD1 3.76Å; P88-I116 HydrophobicContact CG-CG1 4.05Å; T91-I116 HydrophobicContact CG2-CG1 4.23Å
117L97.8Very high92.4Very high44 Ų4476.3 Ų76.323%0.2339%0.392CS..EExtended strand (participates in β ladder)trans-95-51.3177.1-57-175.7000110.4R58 Q90 Q92 R115R58-L117 PolarHBondContact NH1-O 2.78Å; Q90-L117 HydrophobicContact CB-CB 4.26Å; Q90-L117 HydrophobicContact CG-CB 4.34Å; Q90-L117 HydrophobicContact CG-CD1 4.1Å; Q90-L117 PolarHBondContact O-N 3.13Å; Q92-L117 HydrophobicContact CB-CD1 4.17Å; Q92-L117 HydrophobicContact CB-CG 4.49Å; R115-L117 PolarHBondContact O-N 2.92Å
118H97.4Very high90Very high104 Ų10477.2 Ų77.248%0.48140%0.4SS..EExtended strand (participates in β ladder)trans-133.8154.1-179.6-62.2-62.2000111.3A89 Q90A89-H118 HydrophobicContact CB-CB 4.32Å; A89-H118 PolarHBondContact N-O 3.19Å; Q90-H118 HydrophobicContact CB-CB 4.32Å; Q90-H118 PolarHBondContact N-O 3.41Å; Q90-H118 PolarHBondContact O-N 3.2Å; Q90-H118 PolarHBondContact OE1-CD2 3.3Å
119C97.4Very high87.3Confident18 Ų1876 Ų7612%0.12241%0.41CS..EExtended strand (participates in β ladder)trans-124.9147.8174.6-57.60000108.7A38 C60 T87A38-C119 VanDerWaalsContact CA-SG 3.56Å; A38-C119 HydrophobicContact CB-CB 4.26Å; A38-C119 VanDerWaalsContact CB-SG 3.51Å; C60-C119 WeakPolarHBondContact CA-SG 3.45Å; C60-C119 HydrophobicContact CB-CB 3.7Å; C60-C119 WeakPolarHBondContact CB-SG 3.18Å; C60-C119 WeakPolarHBondContact SG-CB 3.31Å; C60-C119 CovalentContact SG-SG 2.03Å; C60-C119 PolarHBondContact SG-SG 3.48Å; T87-C119 WeakPolarHBondContact O-CA 3.26Å
120S95.8Very high84.4Confident22 Ų2282.4 Ų82.415%0.15444%0.437CS..EExtended strand (participates in β ladder)trans-151161.2174.5670000110.8C36 T87 A89 Q122C36-S120 VanDerWaalsContact SG-CA 3.55Å; C36-S120 PolarHBondContact SG-N 2.83Å; C36-S120 VanDerWaalsContact SG-N 3.37Å; C36-S120 PolarHBondContact SG-O 2.92Å; T87-S120 PolarHBondContact N-O 3.23Å; T87-S120 PolarHBondContact O-N 2.98Å; T87-S120 VanDerWaalsContact O-N 3.12Å; A89-S120 WeakPolarHBondContact CB-OG 3.48Å; S120-Q122 PolarHBondContact O-N 3.18Å; S120-Q122 WeakPolarHBondContact OG-CG 3.43Å; S120-Q122 PolarHBondContact OG-NE2 3.24Å
121C95.4Very high81.8Confident19 Ų1985.9 Ų85.913%0.12845%0.451CS..EExtended strand (participates in β ladder)trans-72.1117.3168.6-70.30000108.7H22 C64 D84H22-C121 PolarHBondContact NE2-N 2.81Å; C64-C121 VanDerWaalsContact CA-SG 3.59Å; C64-C121 HydrophobicContact CB-CB 3.8Å; C64-C121 WeakPolarHBondContact CB-SG 3.23Å; C64-C121 WeakPolarHBondContact SG-CA 3.38Å; C64-C121 WeakPolarHBondContact SG-CB 3.1Å; C64-C121 CovalentContact SG-SG 2.04Å; C64-C121 PolarHBondContact SG-SG 2.94Å; D84-C121 HydrophobicContact CB-CB 4.17Å
122Q93.4Very high78.9Confident72 Ų7285.2 Ų85.234%0.33646%0.464SS..EExtended strand (participates in β ladder)trans-128.7154.3179.9-63.1175.668.900109.7D84 S85 T87 P88 S120 C124D84-Q122 CarbonylContact C-O 3.54Å; D84-Q122 WeakPolarHBondContact CA-O 3.04Å; S85-Q122 PolarHBondContact N-O 2.82Å; S85-Q122 PolarHBondContact O-N 2.89Å; T87-Q122 PolarHBondContact O-NE2 3.41Å; T87-Q122 PolarHBondContact OG1-NE2 3.17Å; T87-Q122 VanDerWaalsContact OG1-NE2 3.12Å; P88-Q122 PolarHBondContact O-NE2 3.03Å; S120-Q122 PolarHBondContact O-N 3.18Å; S120-Q122 WeakPolarHBondContact OG-CG 3.43Å; S120-Q122 PolarHBondContact OG-NE2 3.24Å; Q122-C124 PolarHBondContact O-N 3.03Å
123S93Very high76.6Confident88 Ų8884.1 Ų84.162%0.61547%0.472SS*.EExtended strand (participates in β ladder)trans-47.9128.2177.6-57.10000110.5C83 D84 S125C83-S123 CarbonylContact O-C 3.6Å; C83-S123 VanDerWaalsContact O-CA 3.31Å; C83-S123 WeakPolarHBondContact O-CA 3.1Å; D84-S123 WeakPolarHBondContact OD1-CA 3.05Å; D84-S123 PolarHBondContact OD1-N 2.85Å; S123-S125 PolarHBondContact O-N 2.98Å; S123-S125 VanDerWaalsContact O-N 3.15Å
124C92.5Very high74Confident39 Ų3988.5 Ų88.526%0.26450%0.498SS..PPolyproline II helixtrans-53.6124.9174.9-59.20000108.3C83 D84 Q122 K126C83-C124 HydrophobicContact CB-CB 3.68Å; C83-C124 WeakPolarHBondContact CB-SG 3.44Å; C83-C124 PolarHBondContact O-N 3.35Å; C83-C124 PolarHBondContact O-SG 3.34Å; C83-C124 VanDerWaalsContact O-SG 3.35Å; C83-C124 WeakPolarHBondContact SG-CB 3.23Å; C83-C124 CovalentContact SG-SG 2.04Å; C83-C124 PolarHBondContact SG-SG 3.01Å; D84-C124 PolarHBondContact N-SG 2.82Å; Q122-C124 PolarHBondContact O-N 3.03Å; C124-K126 PolarHBondContact O-N 2.92Å
125S83.7Confident71.4Confident102 Ų10291.6 Ų91.671%0.71352%0.515SS*.PPolyproline II helixtrans-58.4116.3173.8-48.40000107.5S123 E127S123-S125 PolarHBondContact O-N 2.98Å; S123-S125 VanDerWaalsContact O-N 3.15Å; S125-E127 PolarHBondContact O-N 3.4Å
126K65.5Low68.9Low195 Ų19597 Ų9785%0.84854%0.542SS*.PPolyproline II helixtrans-58.7125153.2-68.7179.7-178.6176.10103.6C124 S128C124-K126 PolarHBondContact O-N 2.92Å; K126-S128 PolarHBondContact O-N 3.39Å
127E53.6Low66.3Low180 Ų180102.3 Ų102.384%0.84157%0.57SS**  trans-59.680.4-179.3-54177.5177.400109.8S125 V129S125-E127 PolarHBondContact O-N 3.4Å; E127-V129 PolarHBondContact O-N 3.28Å
128S42.7Very low63.5Low89 Ų89108.9 Ų108.962%0.62259%0.593SS**  trans-70.2104132.555.90000102.5K126 Q130K126-S128 PolarHBondContact O-N 3.39Å; S128-Q130 PolarHBondContact O-N 3.34Å
129V39.9Very low60.9Low130 Ų130109.7 Ų109.779%0.78861%0.607SS**  trans-48.688.9152.8174.80000104.4E127 E131E127-V129 PolarHBondContact O-N 3.28Å; V129-E131 PolarHBondContact O-N 3.46Å
130Q37.2Very low58Low168 Ų168113.8 Ų113.879%0.78564%0.642SS**  trans-68.9103.5174.4-170.6159.72.400100.8S128 G132S128-Q130 PolarHBondContact O-N 3.34Å; Q130-G132 WeakPolarHBondContact O-CA 3.47Å; Q130-G132 PolarHBondContact O-N 3.28Å
131E42.5Very low55.2Low176 Ų176120 Ų12082%0.82267%0.674SS**  trans-38.185.7169.7-163.3159.2148.800107.5V129 A133V129-E131 PolarHBondContact O-N 3.46Å; E131-A133 PolarHBondContact O-N 3.28Å
132G37.9Very low52.4Low57 Ų57126.2 Ų126.259%0.58871%0.706SS**  trans-77.788.1-170.500000104.1Q130 V134Q130-G132 WeakPolarHBondContact O-CA 3.47Å; Q130-G132 PolarHBondContact O-N 3.28Å; G132-V134 PolarHBondContact O-N 3.42Å
133A48.9Very low49.5Very low97 Ų97129.7 Ų129.780%0.80273%0.732SS**  trans29.758.2162.100000113E131 M135E131-A133 PolarHBondContact O-N 3.28Å; A133-M135 PolarHBondContact O-N 3.43Å
134V45.3Very low47.1Very low103 Ų103133 Ų13362%0.62474%0.742SS**  trans-77.481.6155.7-173.40000103.2G132 Q136G132-V134 PolarHBondContact O-N 3.42Å; V134-Q136 HydrophobicContact CG1-CG 4.44Å; V134-Q136 PolarHBondContact O-N 3.32Å
135M42.9Very low44.2Very low151 Ų151138 Ų13874%0.74477%0.766SS**  trans-54.197.7161.1-174.8111.778.100105.2A133 L137A133-M135 PolarHBondContact O-N 3.43Å; M135-L137 HydrophobicContact CG-CD1 4.02Å; M135-L137 HydrophobicContact CG-CD2 4.3Å; M135-L137 HydrophobicContact CG-CG 3.73Å; M135-L137 PolarHBondContact O-N 3.42Å
136Q46.2Very low41.9Very low153 Ų153137.9 Ų137.972%0.71577%0.766SS**  trans-66.681.4174.9-76.1164.7-22.300107.5V134 Y138V134-Q136 HydrophobicContact CG1-CG 4.44Å; V134-Q136 PolarHBondContact O-N 3.32Å; Q136-Y138 VanDerWaalsContact C-N 3.33Å; Q136-Y138 HydrophobicContact CB-CE2 4.25Å; Q136-Y138 HydrophobicContact CG-CE2 4.26Å; Q136-Y138 PolarHBondContact O-N 3.48Å
137L42.5Very low40.5Very low141 Ų141133.1 Ų133.174%0.73876%0.763SS**  trans-87.481166.6-70.5168.1000107.7M135M135-L137 HydrophobicContact CG-CD1 4.02Å; M135-L137 HydrophobicContact CG-CD2 4.3Å; M135-L137 HydrophobicContact CG-CG 3.73Å; M135-L137 PolarHBondContact O-N 3.42Å
138Y39.6Very low40Very low182 Ų182130.2 Ų130.271%0.71476%0.759SS**  trans-131.7128152-22.7-79.9000107.2Q136 A140Q136-Y138 VanDerWaalsContact C-N 3.33Å; Q136-Y138 HydrophobicContact CB-CE2 4.25Å; Q136-Y138 HydrophobicContact CG-CE2 4.26Å; Q136-Y138 PolarHBondContact O-N 3.48Å; Y138-A140 PolarHBondContact O-N 3.41Å
139P42.3Very low39.7Very low122 Ų122130.8 Ų130.879%0.79276%0.763SS**  trans-65.4124170.2-13.627.9000109D141P139-D141 PolarHBondContact O-N 3.41Å; P139-D141 VanDerWaalsContact O-N 3.12Å
140A37.9Very low39.3Very low103 Ų103132.3 Ų132.385%0.85177%0.766SS**  trans-73.696.6163.400000107.5Y138Y138-A140 PolarHBondContact O-N 3.41Å
141D36.9Very low39.3Very low154 Ų154129.1 Ų129.182%0.82476%0.762SS**  trans-79.7131.8164.4-118.8-19.9000109.2P139P139-D141 PolarHBondContact O-N 3.41Å; P139-D141 VanDerWaalsContact O-N 3.12Å
142N36.4Very low38.9Very low148 Ų148127.6 Ų127.679%0.79176%0.76SS**  trans-57.9135.6-175.6-73.1-47.8000112.6
143T32.4Very low39.4Very low145 Ų145130.3 Ų130.389%0.8977%0.767SS**  trans-142.1116131.537.10000110.5
144L42.2Very low38.8Very low158 Ų158132.8 Ų132.883%0.82777%0.766SS**  trans-63.4123164.8-174.582.7000108.6
145D32Very low38.2Very low144 Ų144136.2 Ų136.277%0.7778%0.779SS**  trans-163.5105.7137-109.3-29.4000113.4
146S34.5Very low37.6Very low100 Ų100132.4 Ų132.470%0.69978%0.778SS**  47.8105.1123.4-45.70000119.6
147A36.3Very low36.9Very low95 Ų95132.6 Ų132.679%0.78579%0.785SS**  trans-69.5167.1155.900000110.7
148P43.5Very low36.9Very low119 Ų119131.1 Ų131.177%0.77378%0.783SS**  -152.1170.164.236.5-12.7000118.4
149S35.8Very low36.7Very low100 Ų100126.5 Ų126.570%0.69978%0.783SS**  trans-28.5152.716455.40000120.2
150L32.5Very low36.4Very low162 Ų162129.3 Ų129.385%0.84879%0.785SS**  -173.3122.7126.1-100.1146.8000114.7
151S37.3Very low36.1Very low102 Ų102129.4 Ų129.471%0.71378%0.78SS**  trans21.3132.9145.757.90000124.6
152D33.4Very low36.1Very low143 Ų143128.6 Ų128.677%0.76577%0.774SS**  trans-41.1160148.7-120.6-31.9000115.4
153P48.1Very low36.3Very low115 Ų115127.6 Ų127.675%0.74778%0.776SS**  -152.415274.437.7-16.6000119.4
154L35.8Very low36.5Very low148 Ų148129 Ų12978%0.77577%0.772SS**  trans14.4132.9141.9-65.3163.7000121.1
155I33.2Very low36.2Very low175 Ų175126.1 Ų126.190%0.89777%0.771SS**  169.5130.1112.8-83.2159.7000110.7
156G29.9Very low36.3Very low71 Ų71127 Ų12773%0.73278%0.776SS**  trans11488.3139.900000119.2
157D32.3Very low36.1Very low158 Ų158127.9 Ų127.985%0.84578%0.782SS**  trans-60.6150.9153-109-38.8000110.9
158P43.3Very low36.3Very low109 Ų109130.9 Ų130.971%0.70878%0.784SS**  -147.614283.835.1-15.5000117.1
159A34Very low35.6Very low86 Ų86130.4 Ų130.471%0.71178%0.784SS**  trans25.4115.3138.900000119.5
160H35.8Very low35.5Very low181 Ų181132.7 Ų132.784%0.83879%0.788SS**  trans-134.7117.6156.1-92.5-65.4000113.1
161S32.2Very low35.5Very low105 Ų105133.9 Ų133.973%0.73479%0.786SS**  trans2.5131.1146.8-170000121
162L38.2Very low35.3Very low136 Ų136137.5 Ų137.571%0.71279%0.792SS**  trans-7.1154.1144.3-79.4149.5000119.3
163P40.1Very low35.2Very low127 Ų127134.4 Ų134.483%0.82579%0.787SS**  -136.5134.110333.4-19.8000114.4
164H36.2Very low34.6Very low174 Ų174137.5 Ų137.581%0.80679%0.791SS**  trans-96130.1152.7-89.2-74.7000107.9
165A35.1Very low34.9Very low99 Ų99135.7 Ų135.782%0.81879%0.788SS**  trans-139.7110.6162.800000108.3
166D34Very low35Very low162 Ų162136.9 Ų136.987%0.86679%0.789SS**  trans-69.8140.5166.2-79.2-49.1000110.4
167S32.1Very low35.2Very low119 Ų119137.4 Ų137.483%0.83279%0.787SS**  trans-146.6113.1151.6-1700000109.5
168L39.1Very low35.4Very low158 Ų158139 Ų13983%0.82779%0.789SS**  trans-59.5141.7162.5-86.388000110.3
169S30.2Very low35.4Very low109 Ų109142.6 Ų142.676%0.76280%0.796SS**  -169.4125.7124.3-133.20000112.1
170D32.8Very low35.7Very low147 Ų147146.9 Ų146.979%0.78680%0.8SS**  trans14.8125.8149.4-77.3-54.7000120.2
171K33Very low36.1Very low187 Ų187144 Ų14481%0.81380%0.798SS**  179.2138.2105.7-100173.9-178.6-175.30114.8
172Q32.2Very low36.5Very low178 Ų178145.5 Ų145.583%0.83280%0.803SS**  trans74.6117.3145.7-134.490-2200119.9
173A31.2Very low37Very low79 Ų79146.7 Ų146.765%0.65381%0.809SS**  trans-93.2160171.500000112.2
174H36.4Very low37.7Very low180 Ų180146.4 Ų146.483%0.83381%0.807SS**  trans91.4151.1151-8475.1000119.8
175P41Very low37.9Very low110 Ų110147.3 Ų147.371%0.71481%0.812SS**  -119161.9-116.338.8-25.4000113.9
176H35.6Very low38.5Very low199 Ų199147.3 Ų147.392%0.92181%0.811SS**PPolyproline II helixtrans-88.2123.5172.6-76.9-70.8000111.8
177A35.3Very low38.9Very low83 Ų83145.3 Ų145.369%0.68681%0.81SS**PPolyproline II helixtrans-75.2147.7-175.700000113.4
178H36Very low39.7Very low192 Ų192147.4 Ų147.489%0.88981%0.812SS**PPolyproline II helixtrans-68.5127.3167.3-74.3-83.3000110.9
179H42.4Very low40Very low183 Ų183143.3 Ų143.385%0.84781%0.808SS**PPolyproline II helixtrans-100.8118168.8-83.1-70.4000110.6
180H39.9Very low40.2Very low176 Ų176145.6 Ų145.682%0.81585%0.848SS**PPolyproline II helixtrans-97.4136.3167.3-129.9-72.1000108.5
181P44.8Very low40.6Very low121 Ų121145.5 Ų145.579%0.78685%0.851SS**PPolyproline II helixtrans-83.1132.41713.812.5000110.5
182T41Very low41Very low136 Ų136143.3 Ų143.383%0.83485%0.853SS**  trans-106.1127.7174.6-42.10000108.6
183L47.8Very low41.5Very low161 Ų161141.4 Ų141.484%0.84386%0.855SS**PPolyproline II helixtrans-78.7145.6174-86145.2000110.9
184P54.6Low42.1Very low121 Ų121145.1 Ų145.179%0.78687%0.867SS**PPolyproline II helixtrans-81.9137.4178.430.9-31.5000112.6
185H40.8Very low42.5Very low194 Ų194142.9 Ų142.990%0.89887%0.869SS**PPolyproline II helixtrans-69.6131.6170.3-97.5-86.3000111.2
186A48.3Very low42.6Very low98 Ų98145.1 Ų145.181%0.8188%0.879SS**PPolyproline II helixtrans-81.3128.4164.800000109.7
187S42.4Very low43.1Very low121 Ų121141.2 Ų141.285%0.84688%0.876SS**PPolyproline II helixtrans-79.4130.9166.6-1780000108.3
188D49.4Very low43.7Very low163 Ų163145.7 Ų145.787%0.87289%0.89SS**  trans-135.6131.4158.8-145.64000109.3
189G45.3Very low44.3Very low71 Ų71141.8 Ų141.873%0.73289%0.891SS**  trans-101148-178.200000110.9
190G34.8Very low44.5Very low157 Ų157138.1 Ų138.1100%1.61990%0.895SS**  trans1590176.100000111.5

Retrieved 190 of 190 residues in 77 ms (Link to these results)