A0A087XWZ4_POEFO Loading...

R-spondin 3

AlphaFold DB , UniProt , Accession A0A087XWZ4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 260 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
1V41.4Very low35.8Very low199 Ų199176.5 Ų176.5100%1.20684%0.836SS**  0129.801730000108.9
2N28.7Very low35.8Very low143 Ų143168.4 Ų168.477%0.76582%0.82SS**  trans-40.8161166-68.9-26.8000113.3
3L31.1Very low35.8Very low143 Ų143167.5 Ų167.575%0.74982%0.821SS**  cis-166163.4-3.2-136.670.5000103.8
4R36.3Very low36Very low206 Ų206165 Ų16578%0.77781%0.81SS**  -173.3139.571.4-81-169.6173.5179.7-1.6110.4
5R39.5Very low35.7Very low236 Ų236169.5 Ų169.589%0.89182%0.815SS**  trans-69.1160.1154.6-60.7167.2174.1171.1-3.2109.8
6R36Very low35.8Very low232 Ų232169.1 Ų169.188%0.87581%0.814SS**  trans-149.4117.3132.4-107.8166.7-162.9-153.71111.1
7K34.2Very low36Very low187 Ų187168.4 Ų168.481%0.81381%0.814SS**  trans-88.4178.2160.2-86.9-174170.6-174.80108.5
8M31.8Very low36Very low154 Ų154167.2 Ų167.276%0.75981%0.808SS**  trans78.6146.2161.4-68141.165.600115.3
9Q31.3Very low36Very low164 Ų164167.7 Ų167.777%0.76681%0.814SS**  cis-157.31603.9-127.8151.7-29.800112
10I39.1Very low35.9Very low157 Ų157166.8 Ų166.881%0.80581%0.812SS**  trans-91.1138.8162.1-65.9168.4000106
11P44.8Very low35.7Very low121 Ų121164.8 Ų164.879%0.78682%0.815SS**  -145.3-160.965.841.7-18.7000113.4
12A35.6Very low35.2Very low79 Ų79160.3 Ų160.365%0.65380%0.799SS**  cis-156.9149.38.300000115.2
13L35.6Very low35.3Very low157 Ų157158.6 Ų158.682%0.82281%0.805SS**  50.5141.3128.2-72.4173.2000125
14I38.2Very low35.3Very low132 Ų132164.2 Ų164.268%0.67782%0.816SS**  trans74.3117153.9-60.9149.6000117.3
15W32.5Very low35.3Very low233 Ų233157.6 Ų157.688%0.88381%0.812SS**  -153.3114.3108.2-10290.6000109.3
16M37.6Very low35.2Very low162 Ų162151.9 Ų151.980%0.79881%0.806SS**  trans-82.1135.4167.5-78-91.7-76.400108.3
17L38.6Very low35.1Very low157 Ų157148 Ų14882%0.82280%0.802SS**  trans-148.5128.6155.9-108167.5000110
18Q35.3Very low35.7Very low148 Ų148143.2 Ų143.269%0.69281%0.806SS**  trans-83.3148.6-178.8-57.3166.3-89.400110.1
19L37.5Very low35.8Very low177 Ų177141.9 Ų141.993%0.92781%0.807SS**  trans-129.2116.1145.5-87.1175.7000109.8
20L32.4Very low35.9Very low148 Ų148139.8 Ų139.878%0.77581%0.81SS**  trans-77.2140.5169.5-74.9148.5000108.9
21S32.5Very low35.7Very low126 Ų126138.2 Ų138.288%0.88181%0.808SS**  trans-131.598.4161.7-65.60000108.3
22A30.1Very low35.5Very low105 Ų105140.2 Ų140.287%0.86881%0.811SS**  trans-89.2132.1173.600000109.8
23A31.2Very low35.5Very low107 Ų107146.8 Ų146.888%0.88482%0.819SS**  trans-121.7125.1165.400000108.5
24R31.6Very low35.5Very low260 Ų260148.2 Ų148.298%0.98182%0.818SS**  trans-101.9130.1-179-130.5176.2-169.2164.42.5108.4
25G36.2Very low35.2Very low68 Ų68151 Ų15170%0.70183%0.826SS**  trans-125.7145.7171.200000110
26P37.8Very low35.5Very low116 Ų116150.3 Ų150.375%0.75382%0.823SS**  trans-90.7179.8-167.837.5-36.7000114.2
27D33.1Very low35.6Very low150 Ų150147.6 Ų147.680%0.80282%0.82SS**  trans72.293.4167.4-55.1-25.7000117.8T29D27-T29 PolarHBondContact O-N 3.26Å
28G47.9Very low35.8Very low86 Ų86147.1 Ų147.189%0.88782%0.818SS**  trans-80.3107.6170.500000112.5
29T33.9Very low36.4Very low127 Ų127144.8 Ų144.878%0.77982%0.816SS**  trans-130.6121.9150.240.30000109.2D27 V31D27-T29 PolarHBondContact O-N 3.26Å; T29-V31 PolarHBondContact O-N 3.39Å
30S32.3Very low36.8Very low120 Ų120141.3 Ų141.384%0.83981%0.812SS**  trans-8277-174.4560000111.6L32S30-L32 PolarHBondContact O-N 3.14Å
31V35.6Very low37.6Very low124 Ų124137.7 Ų137.775%0.75281%0.811SS**  trans-70117.2160.8-179.10000107.7T29 R33T29-V31 PolarHBondContact O-N 3.39Å; V31-R33 PolarHBondContact O-N 3.38Å
32L40.8Very low39Very low162 Ų162137.2 Ų137.285%0.84881%0.808SS**  trans-67.668.7171.5-78.2167.8000110.7S30 F34S30-L32 PolarHBondContact O-N 3.14Å; L32-F34 VanDerWaalsContact C-N 3.32Å; L32-F34 PolarHBondContact O-N 3.24Å
33R34.4Very low41.1Very low217 Ų217135.3 Ų135.382%0.81980%0.799SS**  trans-67.599.4162.3-174.6175.6-79.3168.2-5.1105.7V31 K35V31-R33 PolarHBondContact O-N 3.38Å; R33-K35 VanDerWaalsContact C-N 3.27Å; R33-K35 PolarHBondContact O-N 3.14Å
34F35.5Very low43.6Very low187 Ų187132.4 Ų132.482%0.8277%0.771SS**  trans-49.698.7165-106-95000107.2L32 R36L32-F34 VanDerWaalsContact C-N 3.32Å; L32-F34 PolarHBondContact O-N 3.24Å; F34-R36 PolarHBondContact O-N 3.03Å
35K33.3Very low46.3Very low192 Ų192124.5 Ų124.584%0.83575%0.746SS**  trans-62.195.9154.8-82.2-175.9174.6179.60103.8R33 S37R33-K35 VanDerWaalsContact C-N 3.27Å; R33-K35 PolarHBondContact O-N 3.14Å; K35-S37 PolarHBondContact O-N 3.44Å
36R38Very low48.7Very low218 Ų218127.5 Ų127.582%0.82375%0.75SS**  trans-54104.1149.8-80.1-176.9174.4165.8-1.2104F34 D38F34-R36 PolarHBondContact O-N 3.03Å; R36-D38 PolarHBondContact O-N 3.31Å
37S39.3Very low51.2Low104 Ų104122.2 Ų122.273%0.72772%0.716SS**  trans-53.9101.3153.647.60000104.9K35 P39K35-S37 PolarHBondContact O-N 3.44Å; S37-P39 VanDerWaalsContact O-CD 3.24Å; S37-P39 WeakPolarHBondContact O-CD 2.92Å
38D42.6Very low54.1Low147 Ų147115.3 Ų115.379%0.78668%0.68SS**  trans-54.8114.6164.9-81.6-49000105.4R36 A40R36-D38 PolarHBondContact O-N 3.31Å; D38-A40 PolarHBondContact O-N 3.03Å
39P48.1Very low56.3Low99 Ų99113.6 Ų113.664%0.64366%0.657SS**  trans-61.5140.617927.4-33000107.1S37 G41S37-P39 VanDerWaalsContact O-CD 3.24Å; S37-P39 WeakPolarHBondContact O-CD 2.92Å; P39-G41 VanDerWaalsContact O-CA 3.31Å; P39-G41 WeakPolarHBondContact O-CA 3.38Å; P39-G41 PolarHBondContact O-N 2.64Å
40A46.2Very low59.1Low104 Ų104111 Ų11186%0.8664%0.642SS**SBendtrans-46.2112.2179.500000109.5D38 S42D38-A40 PolarHBondContact O-N 3.03Å; A40-S42 PolarHBondContact O-N 2.76Å
41G50.2Low62Low73 Ų73108 Ų10875%0.75362%0.619SS**  trans-60.5112.8-151.800000113.1P39 G43P39-G41 VanDerWaalsContact O-CA 3.31Å; P39-G41 WeakPolarHBondContact O-CA 3.38Å; P39-G41 PolarHBondContact O-N 2.64Å; G41-G43 PolarHBondContact O-N 2.88Å
42S60.4Low64.7Low116 Ų116103.7 Ų103.781%0.81160%0.595SS**  trans-69.158.5162.545.60000110.2A40A40-S42 PolarHBondContact O-N 2.76Å
43G74.3Confident66.9Low65 Ų65101.7 Ų101.767%0.6759%0.592SS**PPolyproline II helixtrans-62.5139.6-176.800000111.2G41G41-G43 PolarHBondContact O-N 2.88Å
44C84.9Confident69.4Low46 Ų4697.2 Ų97.231%0.31158%0.583SS.*PPolyproline II helixtrans-59.8158.1170.1-58.40000111.1C48 C51C44-C48 HydrophobicContact CB-CB 3.74Å; C44-C51 WeakPolarHBondContact CA-SG 3.32Å; C44-C51 HydrophobicContact CB-CB 3.77Å; C44-C51 WeakPolarHBondContact CB-SG 3.45Å; C44-C51 WeakPolarHBondContact SG-CB 2.97Å; C44-C51 PolarHBondContact SG-N 2.85Å; C44-C51 CovalentContact SG-SG 2.04Å; C44-C51 PolarHBondContact SG-SG 3.31Å
45Q86.7Confident72Confident94 Ų9492.5 Ų92.544%0.43957%0.567SS.*PPolyproline II helixtrans-51.7157.4177.7-63.4176.3-20.900112.4G47 C48Q45-G47 PolarHBondContact O-N 2.93Å; Q45-C48 HydrophobicContact CB-CB 4.44Å; Q45-C48 WeakPolarHBondContact O-CB 3.45Å; Q45-C48 PolarHBondContact O-N 3.37Å
46V88.2Confident74.8Confident131 Ų13183.4 Ų83.479%0.79453%0.528SS*.THydrogen-bonded Turntrans-53.3134.5178.4-179.50000110.4C48V46-C48 PolarHBondContact O-N 2.89Å
47G90.4Very high77.4Confident4 Ų473.2 Ų73.24%0.04149%0.489CS..THydrogen-bonded Turntrans78.8-11.1-17600000115.5Q45 K61Q45-G47 PolarHBondContact O-N 2.93Å; G47-K61 WeakPolarHBondContact O-CB 3.08Å; G47-K61 PolarHBondContact O-N 2.8Å
48C94.3Very high80Confident5 Ų572.4 Ų72.43%0.03448%0.477CS..EExtended strand (participates in β ladder)trans-86.7137.7177.6-171.30000112.2C44 Q45 V46 T50 C57 K61C44-C48 HydrophobicContact CB-CB 3.74Å; Q45-C48 HydrophobicContact CB-CB 4.44Å; Q45-C48 WeakPolarHBondContact O-CB 3.45Å; Q45-C48 PolarHBondContact O-N 3.37Å; V46-C48 PolarHBondContact O-N 2.89Å; C48-T50 PolarHBondContact SG-O 3.12Å; C48-C57 VanDerWaalsContact CA-SG 3.54Å; C48-C57 HydrophobicContact CB-CB 3.94Å; C48-C57 WeakPolarHBondContact CB-SG 3.39Å; C48-C57 WeakPolarHBondContact SG-CA 3.49Å; C48-C57 WeakPolarHBondContact SG-CB 3.41Å; C48-C57 CovalentContact SG-SG 2.03Å; C48-C57 PolarHBondContact SG-SG 2.92Å; C48-K61 WeakPolarHBondContact O-CE 3Å
49A93Very high82.3Confident51 Ų5167.3 Ų67.342%0.42145%0.452SS..EExtended strand (participates in β ladder)trans-99.2-42.4178.400000112.7S59 K61A49-S59 PolarHBondContact N-O 2.85Å; A49-K61 HydrophobicContact CB-CG 3.99Å
50T92.4Very high84.5Confident73 Ų7363.8 Ų63.845%0.44843%0.43SS..EExtended strand (participates in β ladder)trans-135143.6172.658.30000110.3C48 C57 L58 S59C48-T50 PolarHBondContact SG-O 3.12Å; T50-C57 PolarHBondContact O-SG 2.02Å; T50-L58 PolarHBondContact O-N 2.96Å; T50-S59 PolarHBondContact N-O 2.84Å; T50-S59 PolarHBondContact N-OG 2.66Å; T50-S59 PolarHBondContact O-N 2.83Å; T50-S59 PolarHBondContact OG1-OG 2.77Å
51C93.5Very high86.7Confident55 Ų5564 Ų6437%0.37241%0.412SS..EExtended strand (participates in β ladder)trans-145.9161.2-176.258.40000112.2C44 G56C44-C51 WeakPolarHBondContact CA-SG 3.32Å; C44-C51 HydrophobicContact CB-CB 3.77Å; C44-C51 WeakPolarHBondContact CB-SG 3.45Å; C44-C51 WeakPolarHBondContact SG-CB 2.97Å; C44-C51 PolarHBondContact SG-N 2.85Å; C44-C51 CovalentContact SG-SG 2.04Å; C44-C51 PolarHBondContact SG-SG 3.31Å; C51-G56 CarbonylContact C-O 3.46Å; C51-G56 WeakPolarHBondContact CA-O 3.06Å; C51-G56 VanDerWaalsContact CB-O 3.23Å; C51-G56 WeakPolarHBondContact CB-O 3.43Å
52S92.3Very high88.6Confident34 Ų3466.2 Ų66.224%0.23841%0.413CS..EExtended strand (participates in β ladder)trans-128.8158167.577.30000111.2L54 N55 G56S52-L54 VanDerWaalsContact C-N 3.32Å; S52-L54 PolarHBondContact O-N 3.12Å; S52-N55 PolarHBondContact OG-N 2.93Å; S52-G56 PolarHBondContact N-O 2.88Å; S52-G56 WeakPolarHBondContact O-CA 3.44Å; S52-G56 PolarHBondContact O-N 2.03Å; S52-G56 VanDerWaalsContact O-N 3.09Å
53P87.1Confident90Very high121 Ų12171.3 Ų71.379%0.78641%0.414SS*.THydrogen-bonded Turntrans-57.8-43.6178.4-26.335.6000112.9R76P53-R76 PolarHBondContact O-NH1 3.35Å
54L86.6Confident91Very high122 Ų12270.9 Ų70.964%0.63939%0.394SS*.THydrogen-bonded Turntrans-76.3-50.5-174.1-63.3171.6000112.7S52 Q74S52-L54 VanDerWaalsContact C-N 3.32Å; S52-L54 PolarHBondContact O-N 3.12Å; L54-Q74 PolarHBondContact O-NE2 2.74Å
55N90.4Very high91.6Very high89 Ų8969.2 Ų69.248%0.47638%0.381SS..THydrogen-bonded Turntrans-94.4-4.3-170.4-57.8-15.1000112.7S52 L58 R76 G77S52-N55 PolarHBondContact OG-N 2.93Å; N55-L58 HydrophobicContact CB-CD2 3.93Å; N55-R76 WeakPolarHBondContact O-CA 2.97Å; N55-G77 PolarHBondContact O-N 3.4Å
56G92.1Very high92Very high1 Ų166.2 Ų66.21%0.0137%0.367CS..EExtended strand (participates in β ladder)trans72.8-135.1-174.200000111.3C51 S52 R76C51-G56 CarbonylContact C-O 3.46Å; C51-G56 WeakPolarHBondContact CA-O 3.06Å; C51-G56 VanDerWaalsContact CB-O 3.23Å; C51-G56 WeakPolarHBondContact CB-O 3.43Å; S52-G56 PolarHBondContact N-O 2.88Å; S52-G56 WeakPolarHBondContact O-CA 3.44Å; S52-G56 PolarHBondContact O-N 2.03Å; S52-G56 VanDerWaalsContact O-N 3.09Å; G56-R76 VanDerWaalsContact CA-CZ 3.46Å
57C93.5Very high92.4Very high3 Ų361.1 Ų61.12%0.0233%0.334CS..EExtended strand (participates in β ladder)trans-70.5142176.4-161.80000112C48 T50 S59 F66 G77 C79C48-C57 VanDerWaalsContact CA-SG 3.54Å; C48-C57 HydrophobicContact CB-CB 3.94Å; C48-C57 WeakPolarHBondContact CB-SG 3.39Å; C48-C57 WeakPolarHBondContact SG-CA 3.49Å; C48-C57 WeakPolarHBondContact SG-CB 3.41Å; C48-C57 CovalentContact SG-SG 2.03Å; C48-C57 PolarHBondContact SG-SG 2.92Å; T50-C57 PolarHBondContact O-SG 2.02Å; C57-S59 PolarHBondContact SG-O 2.98Å; C57-F66 WeakPolarHBondContact O-CE2 3.49Å; C57-G77 VanDerWaalsContact CB-O 3.3Å; C57-G77 WeakPolarHBondContact CB-O 3.34Å; C57-G77 PolarHBondContact N-O 3.32Å; C57-C79 PolarHBondContact SG-SG 3.49Å
58L92Very high92.5Very high87 Ų8765 Ų6546%0.45535%0.353SS..EExtended strand (participates in β ladder)trans-111.1-29.6177-58.3177.5000112.1T50 N55T50-L58 PolarHBondContact O-N 2.96Å; N55-L58 HydrophobicContact CB-CD2 3.93Å
59S92.4Very high92.4Very high40 Ų4068.2 Ų68.228%0.2837%0.368SS..EExtended strand (participates in β ladder)trans-148.7142.7173.9690000111.7A49 T50 C57A49-S59 PolarHBondContact N-O 2.85Å; T50-S59 PolarHBondContact N-O 2.84Å; T50-S59 PolarHBondContact N-OG 2.66Å; T50-S59 PolarHBondContact O-N 2.83Å; T50-S59 PolarHBondContact OG1-OG 2.77Å; C57-S59 PolarHBondContact SG-O 2.98Å
60C93.9Very high92.3Very high25 Ų2571.9 Ų71.917%0.16938%0.38CS..EExtended strand (participates in β ladder)trans-93.2150.6179.8-61.60000112.8F64 F66 C79C60-F64 HydrophobicContact CB-CB 3.95Å; C60-F66 VanDerWaalsContact SG-CA 3.57Å; C60-C79 WeakPolarHBondContact CA-SG 3.44Å; C60-C79 HydrophobicContact CB-CB 3.95Å; C60-C79 WeakPolarHBondContact CB-SG 3.26Å; C60-C79 WeakPolarHBondContact SG-CB 3.4Å; C60-C79 CovalentContact SG-SG 2.04Å; C60-C79 PolarHBondContact SG-SG 2.96Å
61K92.6Very high91.8Very high110 Ų11074.8 Ų74.848%0.47839%0.393SS..PPolyproline II helixtrans-64.7156166.7-65.2-177.2-179.4179.40110G47 C48 A49 F64G47-K61 WeakPolarHBondContact O-CB 3.08Å; G47-K61 PolarHBondContact O-N 2.8Å; C48-K61 WeakPolarHBondContact O-CE 3Å; A49-K61 HydrophobicContact CB-CG 3.99Å; K61-F64 HydrophobicContact CB-CD2 4.24Å; K61-F64 PolarHBondContact O-N 2.86Å
62P90.3Very high91.5Very high119 Ų11975.5 Ų75.577%0.77341%0.409SS*.THydrogen-bonded Turntrans-50.6144.5176.3-28.135.5000112.9F64P62-F64 VanDerWaalsContact C-N 3.27Å; P62-F64 PolarHBondContact O-N 2.85Å
63R90.1Very high91.1Very high223 Ų22382 Ų8284%0.84244%0.44SS*.THydrogen-bonded Turntrans73.5-11.2-175-49.5-173.3178.6-164.40117.2
64F95Very high91.1Very high55 Ų5581 Ų8124%0.24143%0.425CS..PPolyproline II helixtrans-87.5150.7171.9-70.8-100.1000111.3C60 K61 P62 C79 M80C60-F64 HydrophobicContact CB-CB 3.95Å; K61-F64 HydrophobicContact CB-CD2 4.24Å; K61-F64 PolarHBondContact O-N 2.86Å; P62-F64 VanDerWaalsContact C-N 3.27Å; P62-F64 PolarHBondContact O-N 2.85Å; F64-C79 HydrophobicContact CB-CB 4.13Å; F64-C79 HydrophobicContact CD1-CB 4.32Å; F64-M80 CarbonylContact C-O 3.57Å; F64-M80 WeakPolarHBondContact CA-O 3.22Å
65F96.6Very high91.3Very high11 Ų1179.4 Ų79.45%0.04841%0.414CS..EExtended strand (participates in β ladder)trans-101.2133.8172.1-63.1-92.3000110.3C79 M80 R91 S96 C98F65-C79 WeakPolarHBondContact O-CA 3.44Å; F65-M80 PolarHBondContact N-O 3.24Å; F65-M80 PolarHBondContact O-N 2.64Å; F65-R91 HydrophobicContact CE1-CG 3.85Å; F65-R91 HydrophobicContact CZ-CG 4.12Å; F65-S96 CarbonylContact C-O 3.59Å; F65-S96 VanDerWaalsContact CA-O 3.31Å; F65-S96 WeakPolarHBondContact CA-O 3.13Å; F65-C98 WeakPolarHBondContact CB-SG 3.46Å
66F95.8Very high91.4Very high32 Ų3279 Ų7914%0.1441%0.406CS..EExtended strand (participates in β ladder)trans-74.5132.7171.5-173.6-100000110.6C57 C60 L68 I95 S96 T97 C98C57-F66 WeakPolarHBondContact O-CE2 3.49Å; C60-F66 VanDerWaalsContact SG-CA 3.57Å; F66-L68 HydrophobicContact CE1-CD1 4.41Å; F66-L68 HydrophobicContact CE1-CD2 3.66Å; F66-L68 HydrophobicContact CE1-CG 3.75Å; F66-L68 HydrophobicContact CZ-CD2 3.77Å; F66-L68 HydrophobicContact CZ-CG 4.36Å; F66-I95 HydrophobicContact CB-CD1 3.79Å; F66-I95 HydrophobicContact CB-CG1 4.09Å; F66-I95 HydrophobicContact CD1-CD1 4.45Å; F66-I95 HydrophobicContact CD2-CD1 4.32Å; F66-I95 HydrophobicContact CG-CD1 3.96Å; F66-S96 PolarHBondContact N-O 3.13Å; F66-T97 HydrophobicContact CD1-CG2 4.45Å; F66-T97 CarbonylContact O-C 3.48Å; F66-T97 WeakPolarHBondContact O-CA 3.43Å; F66-C98 PolarHBondContact O-N 2.71Å
67H95.8Very high91.5Very high23 Ų2379.1 Ų79.111%0.10641%0.406CS..EExtended strand (participates in β ladder)trans-130.9146.8175.1-178.249.5000109.4E69 G77 T78 H87 C98H67-E69 IonicContact CD2-OE1 3.38Å; H67-G77 CarbonylContact O-C 3.59Å; H67-G77 WeakPolarHBondContact O-CA 3.36Å; H67-T78 PolarHBondContact N-O 2.85Å; H67-T78 PolarHBondContact O-N 2.81Å; H67-H87 AromaticContact CE1-CE1 3.95Å; H67-H87 AromaticContact CE1-NE2 3.69Å; H67-C98 HydrophobicContact CB-CB 4.25Å
68L93.8Very high91.5Very high85 Ų8579.5 Ų79.545%0.44541%0.409SS..EExtended strand (participates in β ladder)trans-106.4111.3173-71.2171.1000108F66F66-L68 HydrophobicContact CE1-CD1 4.41Å; F66-L68 HydrophobicContact CE1-CD2 3.66Å; F66-L68 HydrophobicContact CE1-CG 3.75Å; F66-L68 HydrophobicContact CZ-CD2 3.77Å; F66-L68 HydrophobicContact CZ-CG 4.36Å
69E91.8Very high91.7Very high74 Ų7476.1 Ų76.135%0.34639%0.392SS..EExtended strand (participates in β ladder)trans-88.2135.8173.6-70.5170.3-155.400109.2H67 R76 T78 M80H67-E69 IonicContact CD2-OE1 3.38Å; E69-R76 PolarHBondContact N-O 3.25Å; E69-R76 PolarHBondContact O-N 3.11Å; E69-T78 VanDerWaalsContact CD-CG2 3.44Å; E69-T78 HydrophobicContact CG-CG2 4.28Å; E69-T78 WeakPolarHBondContact OE1-CB 3.39Å; E69-T78 VanDerWaalsContact OE1-CG2 3.22Å; E69-T78 WeakPolarHBondContact OE1-CG2 3.24Å; E69-T78 PolarHBondContact OE1-OG1 3.28Å; E69-M80 VanDerWaalsContact OE1-CE 3.25Å; E69-M80 WeakPolarHBondContact OE1-CE 3.2Å
70L89.9Confident91.8Very high127 Ų12776.8 Ų76.867%0.66539%0.392SS*.EExtended strand (participates in β ladder)trans-96120.8173.3-72.693.3000109.5Q75L70-Q75 VanDerWaalsContact CD2-NE2 3.29Å
71D83.6Confident91.9Very high134 Ų13479.9 Ų79.972%0.71741%0.413SS*.EExtended strand (participates in β ladder)trans-117.696.6168.6-169.811.1000108.9I73 Q74D71-I73 PolarHBondContact O-N 2.9Å; D71-Q74 PolarHBondContact N-O 3.18Å; D71-Q74 PolarHBondContact O-N 3.05Å
72G86.1Confident92Very high70 Ų7078.8 Ų78.872%0.72242%0.42SS*.THydrogen-bonded Turntrans59.7-106.5-169.300000112.3
73I84.9Confident92.2Very high172 Ų17274.6 Ų74.688%0.88239%0.393SS*.THydrogen-bonded Turntrans-96.7-18179-52.5175.3000111D71D71-I73 PolarHBondContact O-N 2.9Å
74Q86.5Confident92.5Very high100 Ų10065.9 Ų65.947%0.46737%0.365SS..EExtended strand (participates in β ladder)trans-86.2133-172.5-169.4164.2-1000111.5L54 D71L54-Q74 PolarHBondContact O-NE2 2.74Å; D71-Q74 PolarHBondContact N-O 3.18Å; D71-Q74 PolarHBondContact O-N 3.05Å
75Q90.3Very high92.4Very high88 Ų8874.4 Ų74.441%0.41140%0.396SS..EExtended strand (participates in β ladder)trans-93.8128.1170.3-58.2-66.5-3900108.8L70L70-Q75 VanDerWaalsContact CD2-NE2 3.29Å
76R93.3Very high92.3Very high81 Ų8174.8 Ų74.831%0.30640%0.403SS..EExtended strand (participates in β ladder)trans-128124.8177-165.8175.1-179.682.6-0.2110.9P53 N55 G56 E69P53-R76 PolarHBondContact O-NH1 3.35Å; N55-R76 WeakPolarHBondContact O-CA 2.97Å; G56-R76 VanDerWaalsContact CA-CZ 3.46Å; E69-R76 PolarHBondContact N-O 3.25Å; E69-R76 PolarHBondContact O-N 3.11Å
77G93.5Very high92.3Very high2 Ų275.5 Ų75.52%0.02141%0.406CS..EExtended strand (participates in β ladder)trans-74.5133.317600000111.9N55 C57 H67N55-G77 PolarHBondContact O-N 3.4Å; C57-G77 VanDerWaalsContact CB-O 3.3Å; C57-G77 WeakPolarHBondContact CB-O 3.34Å; C57-G77 PolarHBondContact N-O 3.32Å; H67-G77 CarbonylContact O-C 3.59Å; H67-G77 WeakPolarHBondContact O-CA 3.36Å
78T94.4Very high92.3Very high12 Ų1275.4 Ų75.47%0.07441%0.405CS..EExtended strand (participates in β ladder)trans-131.4161.4172.364.30000110.5H67 E69H67-T78 PolarHBondContact N-O 2.85Å; H67-T78 PolarHBondContact O-N 2.81Å; E69-T78 VanDerWaalsContact CD-CG2 3.44Å; E69-T78 HydrophobicContact CG-CG2 4.28Å; E69-T78 WeakPolarHBondContact OE1-CB 3.39Å; E69-T78 VanDerWaalsContact OE1-CG2 3.22Å; E69-T78 WeakPolarHBondContact OE1-CG2 3.24Å; E69-T78 PolarHBondContact OE1-OG1 3.28Å
79C95.2Very high92.5Very high15 Ų1572.9 Ų72.910%0.10140%0.4CS..EExtended strand (participates in β ladder)trans-121.1119.6179.8-670000110.1C57 C60 F64 F65C57-C79 PolarHBondContact SG-SG 3.49Å; C60-C79 WeakPolarHBondContact CA-SG 3.44Å; C60-C79 HydrophobicContact CB-CB 3.95Å; C60-C79 WeakPolarHBondContact CB-SG 3.26Å; C60-C79 WeakPolarHBondContact SG-CB 3.4Å; C60-C79 CovalentContact SG-SG 2.04Å; C60-C79 PolarHBondContact SG-SG 2.96Å; F64-C79 HydrophobicContact CB-CB 4.13Å; F64-C79 HydrophobicContact CD1-CB 4.32Å; F65-C79 WeakPolarHBondContact O-CA 3.44Å
80M95.4Very high92.6Very high55 Ų5573.5 Ų73.527%0.27140%0.404SS..EExtended strand (participates in β ladder)trans-117.7148-176.5-61.9-172170.400111.6F64 F65 E69 S82 P84F64-M80 CarbonylContact C-O 3.57Å; F64-M80 WeakPolarHBondContact CA-O 3.22Å; F65-M80 PolarHBondContact N-O 3.24Å; F65-M80 PolarHBondContact O-N 2.64Å; E69-M80 VanDerWaalsContact OE1-CE 3.25Å; E69-M80 WeakPolarHBondContact OE1-CE 3.2Å; M80-S82 VanDerWaalsContact C-N 3.32Å; M80-S82 WeakPolarHBondContact CB-O 3.49Å; M80-P84 HydrophobicContact SD-CG 4.38Å
81S94.9Very high92.7Very high89 Ų8976.1 Ų76.162%0.62241%0.405SS*.SBendtrans-72.8-27.6173.749.20000112.8
82S94.4Very high93Very high88 Ų8872.1 Ų72.162%0.61539%0.388SS*.SBendtrans-140.9144.9175.6-66.10000109.1M80M80-S82 VanDerWaalsContact C-N 3.32Å; M80-S82 WeakPolarHBondContact CB-O 3.49Å
83C95.8Very high93Very high30 Ų3075 Ų7520%0.20339%0.393CS..PPolyproline II helixtrans-70150.7-179.2-66.40000113.2H87 G89 C98C83-H87 HydrophobicContact CB-CB 4.08Å; C83-G89 VanDerWaalsContact SG-CA 3.51Å; C83-C98 WeakPolarHBondContact CA-SG 3.49Å; C83-C98 HydrophobicContact CB-CB 3.77Å; C83-C98 WeakPolarHBondContact CB-SG 3.44Å; C83-C98 WeakPolarHBondContact SG-CA 3.33Å; C83-C98 WeakPolarHBondContact SG-CB 3.36Å; C83-C98 CovalentContact SG-SG 2.04Å; C83-C98 PolarHBondContact SG-SG 3.33Å
84P94.8Very high92.9Very high41 Ų4175.3 Ų75.327%0.26639%0.391SS..PPolyproline II helixtrans-68.9168.8177.529-33.8000111.7M80 H87M80-P84 HydrophobicContact SD-CG 4.38Å; P84-H87 HydrophobicContact CG-CB 4.36Å; P84-H87 WeakPolarHBondContact O-CB 3.41Å; P84-H87 PolarHBondContact O-N 3.46Å; P84-H87 VanDerWaalsContact O-N 3.15Å
85R93.3Very high92.9Very high234 Ų23473.8 Ų73.888%0.88339%0.385SS*.THydrogen-bonded Turntrans-56.5147.4176.7-69.6-177.2176.2174.2-0111H87R85-H87 PolarHBondContact O-N 3.01Å; R85-H87 PolarHBondContact O-ND1 3.17Å
86G94.6Very high93.1Very high19 Ų1970.7 Ų70.720%0.19637%0.373CS..THydrogen-bonded Turntrans68.813.5-173.900000114.7C101 A106G86-C101 PolarHBondContact O-N 3.03Å; G86-C101 PolarHBondContact O-SG 2.97Å; G86-C101 VanDerWaalsContact O-SG 3.39Å; G86-A106 WeakPolarHBondContact CA-O 3.43Å
87H96.3Very high93.3Very high47 Ų4768.4 Ų68.422%0.21837%0.369CS..EExtended strand (participates in β ladder)trans-133.1150.5173.6-61.871.8000111.1H67 C83 P84 R85 C98 I99 K100H67-H87 AromaticContact CE1-CE1 3.95Å; H67-H87 AromaticContact CE1-NE2 3.69Å; C83-H87 HydrophobicContact CB-CB 4.08Å; P84-H87 HydrophobicContact CG-CB 4.36Å; P84-H87 WeakPolarHBondContact O-CB 3.41Å; P84-H87 PolarHBondContact O-N 3.46Å; P84-H87 VanDerWaalsContact O-N 3.15Å; R85-H87 PolarHBondContact O-N 3.01Å; R85-H87 PolarHBondContact O-ND1 3.17Å; H87-C98 HydrophobicContact CB-CB 4.26Å; H87-I99 CarbonylContact C-O 3.59Å; H87-I99 WeakPolarHBondContact CA-O 3.39Å; H87-I99 WeakPolarHBondContact CB-O 3.48Å; H87-K100 VanDerWaalsContact CD2-CA 3.46Å; H87-K100 WeakPolarHBondContact CD2-CA 3.16Å; H87-K100 PolarHBondContact CD2-N 2.93Å
88Y96.8Very high93.4Very high20 Ų2068.8 Ų68.88%0.07837%0.371CS..EExtended strand (participates in β ladder)trans-117.3152.2170.673.1-80.3000110.7M90 C98 I99 C108 E111Y88-M90 HydrophobicContact CE2-CB 4.33Å; Y88-M90 HydrophobicContact CE2-CE 4.12Å; Y88-M90 WeakPolarHBondContact OH-CE 3.35Å; Y88-C98 WeakPolarHBondContact O-CA 3.27Å; Y88-I99 HydrophobicContact CD1-CB 4.13Å; Y88-I99 VanDerWaalsContact CD1-O 3.27Å; Y88-I99 WeakPolarHBondContact CD1-O 3.47Å; Y88-I99 HydrophobicContact CE1-CB 3.58Å; Y88-I99 HydrophobicContact CE1-CG2 3.6Å; Y88-I99 HydrophobicContact CE2-CB 4.34Å; Y88-I99 PolarHBondContact N-O 2.82Å; Y88-I99 PolarHBondContact O-N 3.23Å; Y88-C108 WeakPolarHBondContact CD1-SG 3.48Å; Y88-E111 HydrophobicContact CE1-CB 4.41Å
89G95.9Very high93.5Very high33 Ų3371 Ų7134%0.3438%0.382SS..EExtended strand (participates in β ladder)trans-88.5109-178.700000112.3C83C83-G89 VanDerWaalsContact SG-CA 3.51Å
90M95.2Very high93.5Very high86 Ų8678 Ų7842%0.42441%0.41SS..EExtended strand (participates in β ladder)trans-88.4127.5170.1-174.1176.4-73.900109.6Y88 S96 T97 I99Y88-M90 HydrophobicContact CE2-CB 4.33Å; Y88-M90 HydrophobicContact CE2-CE 4.12Å; Y88-M90 WeakPolarHBondContact OH-CE 3.35Å; M90-S96 CarbonylContact O-C 3.49Å; M90-S96 VanDerWaalsContact O-CA 3.24Å; M90-S96 WeakPolarHBondContact O-CA 3.41Å; M90-T97 PolarHBondContact N-O 2.7Å; M90-T97 PolarHBondContact O-N 3.2Å; M90-I99 HydrophobicContact CB-CG1 3.8Å; M90-I99 HydrophobicContact CE-CG1 4.29Å; M90-I99 HydrophobicContact SD-CG1 4.39Å
91R92.7Very high93.5Very high182 Ų18275.9 Ų75.969%0.68740%0.401SS*.EExtended strand (participates in β ladder)trans-101.3125173.7-67.1-169.3170.797.31.2110F65F65-R91 HydrophobicContact CE1-CG 3.85Å; F65-R91 HydrophobicContact CZ-CG 4.12Å
92S88.8Confident93.5Very high51 Ų5176 Ų7636%0.35739%0.39SS..  trans-124.2154.8170.81460000109.7H94 I95S92-H94 PolarHBondContact O-N 3.4Å; S92-H94 VanDerWaalsContact O-N 3.12Å; S92-H94 PolarHBondContact OG-N 3.38Å; S92-I95 VanDerWaalsContact CB-O 3.27Å; S92-I95 WeakPolarHBondContact CB-O 3.36Å; S92-I95 PolarHBondContact N-O 3.02Å
93P86.3Confident93.5Very high129 Ų12978.6 Ų78.684%0.83840%0.402SS*.SBendtrans-55.7-24.6177-26.535.7000114.7
94H83Confident93.4Very high180 Ų18079 Ų7983%0.83340%0.402SS*.SBendtrans-97.1-44.5-176.4-54.3-62.7000112.8S92S92-H94 PolarHBondContact O-N 3.4Å; S92-H94 VanDerWaalsContact O-N 3.12Å; S92-H94 PolarHBondContact OG-N 3.38Å
95I87.1Confident93.5Very high67 Ų6777.3 Ų77.334%0.34439%0.391SS..  trans-153136.8179.9-167.8166.4000109.2F66 S92F66-I95 HydrophobicContact CB-CD1 3.79Å; F66-I95 HydrophobicContact CB-CG1 4.09Å; F66-I95 HydrophobicContact CD1-CD1 4.45Å; F66-I95 HydrophobicContact CD2-CD1 4.32Å; F66-I95 HydrophobicContact CG-CD1 3.96Å; S92-I95 VanDerWaalsContact CB-O 3.27Å; S92-I95 WeakPolarHBondContact CB-O 3.36Å; S92-I95 PolarHBondContact N-O 3.02Å
96S94.6Very high93.6Very high23 Ų2367.4 Ų67.416%0.16136%0.359CS..EExtended strand (participates in β ladder)trans-92.5133.8167.5-61.30000108F65 F66 M90F65-S96 CarbonylContact C-O 3.59Å; F65-S96 VanDerWaalsContact CA-O 3.31Å; F65-S96 WeakPolarHBondContact CA-O 3.13Å; F66-S96 PolarHBondContact N-O 3.13Å; M90-S96 CarbonylContact O-C 3.49Å; M90-S96 VanDerWaalsContact O-CA 3.24Å; M90-S96 WeakPolarHBondContact O-CA 3.41Å
97T95.6Very high93.6Very high34 Ų3468 Ų6821%0.20936%0.36CS..EExtended strand (participates in β ladder)trans-136.1143.5-169.1-54.60000110.8F66 M90 I99F66-T97 HydrophobicContact CD1-CG2 4.45Å; F66-T97 CarbonylContact O-C 3.48Å; F66-T97 WeakPolarHBondContact O-CA 3.43Å; M90-T97 PolarHBondContact N-O 2.7Å; M90-T97 PolarHBondContact O-N 3.2Å; T97-I99 HydrophobicContact CG2-CD1 3.86Å
98C96.6Very high93.6Very high10 Ų1066.6 Ų66.67%0.06836%0.356CS..EExtended strand (participates in β ladder)trans-82.5111170.8-65.50000110.4F65 F66 H67 C83 H87 Y88F65-C98 WeakPolarHBondContact CB-SG 3.46Å; F66-C98 PolarHBondContact O-N 2.71Å; H67-C98 HydrophobicContact CB-CB 4.25Å; C83-C98 WeakPolarHBondContact CA-SG 3.49Å; C83-C98 HydrophobicContact CB-CB 3.77Å; C83-C98 WeakPolarHBondContact CB-SG 3.44Å; C83-C98 WeakPolarHBondContact SG-CA 3.33Å; C83-C98 WeakPolarHBondContact SG-CB 3.36Å; C83-C98 CovalentContact SG-SG 2.04Å; C83-C98 PolarHBondContact SG-SG 3.33Å; H87-C98 HydrophobicContact CB-CB 4.26Å; Y88-C98 WeakPolarHBondContact O-CA 3.27Å
99I95.8Very high93.6Very high59 Ų5973.3 Ų73.330%0.30339%0.386SS..EExtended strand (participates in β ladder)trans-99.4133.5179.9-52.8-59000108.8H87 Y88 M90 T97H87-I99 CarbonylContact C-O 3.59Å; H87-I99 WeakPolarHBondContact CA-O 3.39Å; H87-I99 WeakPolarHBondContact CB-O 3.48Å; Y88-I99 HydrophobicContact CD1-CB 4.13Å; Y88-I99 VanDerWaalsContact CD1-O 3.27Å; Y88-I99 WeakPolarHBondContact CD1-O 3.47Å; Y88-I99 HydrophobicContact CE1-CB 3.58Å; Y88-I99 HydrophobicContact CE1-CG2 3.6Å; Y88-I99 HydrophobicContact CE2-CB 4.34Å; Y88-I99 PolarHBondContact N-O 2.82Å; Y88-I99 PolarHBondContact O-N 3.23Å; M90-I99 HydrophobicContact CB-CG1 3.8Å; M90-I99 HydrophobicContact CE-CG1 4.29Å; M90-I99 HydrophobicContact SD-CG1 4.39Å; T97-I99 HydrophobicContact CG2-CD1 3.86Å
100K95.4Very high93.5Very high160 Ų16073.7 Ų73.770%0.69638%0.383SS*.EExtended strand (participates in β ladder)trans-66.5143.4179.9-165.1179.1176.7-179.80110.9H87H87-K100 VanDerWaalsContact CD2-CA 3.46Å; H87-K100 WeakPolarHBondContact CD2-CA 3.16Å; H87-K100 PolarHBondContact CD2-N 2.93Å
101C96.6Very high93.3Very high12 Ų1274.8 Ų74.88%0.08139%0.387CS..PPolyproline II helixtrans-66.1163.1170.5-58.50000111.4G86 C105 C108G86-C101 PolarHBondContact O-N 3.03Å; G86-C101 PolarHBondContact O-SG 2.97Å; G86-C101 VanDerWaalsContact O-SG 3.39Å; C101-C105 HydrophobicContact CB-CB 4.27Å; C101-C105 VanDerWaalsContact CB-O 3.28Å; C101-C105 WeakPolarHBondContact CB-O 3.45Å; C101-C108 WeakPolarHBondContact CA-SG 2.99Å; C101-C108 HydrophobicContact CB-CB 3.95Å; C101-C108 WeakPolarHBondContact CB-SG 3.39Å; C101-C108 WeakPolarHBondContact SG-CB 3.47Å; C101-C108 PolarHBondContact SG-N 2.72Å; C101-C108 CovalentContact SG-SG 2.04Å; C101-C108 PolarHBondContact SG-SG 3.24Å
102K94.9Very high93.2Very high92 Ų9271 Ų7140%0.438%0.38SS..PPolyproline II helixtrans-65.4157.8172.7-67.1174.4172.51560111.2D104 C105 E111 N112K102-D104 VanDerWaalsContact C-N 3.26Å; K102-D104 WeakPolarHBondContact CB-OD1 3.46Å; K102-D104 PolarHBondContact O-N 3.47Å; K102-C105 PolarHBondContact O-N 2.82Å; K102-E111 WeakPolarHBondContact CD-O 2.99Å; K102-E111 WeakPolarHBondContact CE-O 3.45Å; K102-E111 PolarHBondContact NZ-O 3.04Å; K102-N112 PolarHBondContact NZ-OD1 2.82Å
103V93.1Very high93.6Very high141 Ų14173.4 Ų73.486%0.85539%0.385SS*.THydrogen-bonded Turntrans-62.2-28.2-168.965.80000114.6H118V103-H118 PolarHBondContact O-CD2 2.84Å
104D94.3Very high94.1Very high38 Ų3867.6 Ų67.620%0.20335%0.347CS..THydrogen-bonded Turntrans-78.8-16175.157.2-40.8000113.3K102 H118 C128K102-D104 VanDerWaalsContact C-N 3.26Å; K102-D104 WeakPolarHBondContact CB-OD1 3.46Å; K102-D104 PolarHBondContact O-N 3.47Å; D104-H118 PolarHBondContact O-N 3.16Å; D104-C128 HydrophobicContact CB-CB 3.93Å; D104-C128 WeakPolarHBondContact OD2-CB 3.35Å
105C96.1Very high94.7Very high7 Ų762.4 Ų62.45%0.04733%0.328CS..EExtended strand (participates in β ladder)trans-114.8110.1-168-178.10000113.5C101 K102 S107 C114C101-C105 HydrophobicContact CB-CB 4.27Å; C101-C105 VanDerWaalsContact CB-O 3.28Å; C101-C105 WeakPolarHBondContact CB-O 3.45Å; K102-C105 PolarHBondContact O-N 2.82Å; C105-S107 PolarHBondContact SG-O 2.89Å; C105-C114 VanDerWaalsContact CA-SG 3.53Å; C105-C114 HydrophobicContact CB-CB 3.93Å; C105-C114 WeakPolarHBondContact CB-SG 3.37Å; C105-C114 WeakPolarHBondContact SG-CA 3.03Å; C105-C114 WeakPolarHBondContact SG-CB 3.48Å; C105-C114 CovalentContact SG-SG 2.03Å; C105-C114 PolarHBondContact SG-SG 2.04Å
106A95.3Very high95.1Very high25 Ų2566.9 Ų66.921%0.20734%0.34CS..EExtended strand (participates in β ladder)trans-75-27.2-179.200000114G86 R116 H118G86-A106 WeakPolarHBondContact CA-O 3.43Å; A106-R116 WeakPolarHBondContact CA-O 3.23Å; A106-R116 WeakPolarHBondContact CB-O 3.41Å; A106-R116 PolarHBondContact N-O 3.12Å; A106-H118 WeakPolarHBondContact CA-NE2 3.04Å; A106-H118 PolarHBondContact N-CD2 3.45Å
107S95.8Very high95.1Very high32 Ų3265.9 Ų65.922%0.22433%0.333CS..EExtended strand (participates in β ladder)trans-148.8134.3172.2-63.80000110.3C105 C114 T115 R116C105-S107 PolarHBondContact SG-O 2.89Å; S107-C114 PolarHBondContact O-SG 2.85Å; S107-T115 PolarHBondContact O-N 2.84Å; S107-T115 PolarHBondContact O-OG1 3.16Å; S107-T115 VanDerWaalsContact O-OG1 3.1Å; S107-R116 PolarHBondContact N-O 3.18Å; S107-R116 VanDerWaalsContact N-O 3.1Å; S107-R116 PolarHBondContact O-N 3.41Å
108C96.5Very high95.1Very high17 Ų1768 Ų6812%0.11534%0.341CS..EExtended strand (participates in β ladder)trans-133.3154-178.559.50000112Y88 C101 F113Y88-C108 WeakPolarHBondContact CD1-SG 3.48Å; C101-C108 WeakPolarHBondContact CA-SG 2.99Å; C101-C108 HydrophobicContact CB-CB 3.95Å; C101-C108 WeakPolarHBondContact CB-SG 3.39Å; C101-C108 WeakPolarHBondContact SG-CB 3.47Å; C101-C108 PolarHBondContact SG-N 2.72Å; C101-C108 CovalentContact SG-SG 2.04Å; C101-C108 PolarHBondContact SG-SG 3.24Å; C108-F113 WeakPolarHBondContact CA-O 3.45Å
109F95.3Very high95Very high162 Ų16271.9 Ų71.971%0.71137%0.366SS*.EExtended strand (participates in β ladder)trans-92-33.9168.7178.3-101.8000111.5F113 T115F109-F113 HydrophobicContact CB-CD1 3.99Å; F109-F113 PolarHBondContact N-O 3.46Å; F109-T115 HydrophobicContact CB-CG2 4.2Å
110S94.8Very high94.8Very high40 Ų4071.9 Ų71.928%0.2838%0.38SS..EExtended strand (participates in β ladder)trans-149.3174.3174.173.80000110.4N112 F113S110-N112 PolarHBondContact O-N 3.21Å; S110-N112 PolarHBondContact OG-N 2.83Å; S110-F113 PolarHBondContact N-O 2.83Å; S110-F113 PolarHBondContact O-N 2.03Å; S110-F113 VanDerWaalsContact O-N 3.15Å; S110-F113 WeakPolarHBondContact OG-CB 3.49Å; S110-F113 PolarHBondContact OG-N 3.48Å
111E91.1Very high94.8Very high109 Ų10967 Ų6751%0.50936%0.359SS..THydrogen-bonded Turntrans-50.4-32.6175.1-168.4-178.8177.700114.1Y88 K102Y88-E111 HydrophobicContact CE1-CB 4.41Å; K102-E111 WeakPolarHBondContact CD-O 2.99Å; K102-E111 WeakPolarHBondContact CE-O 3.45Å; K102-E111 PolarHBondContact NZ-O 3.04Å
112N91.5Very high94.7Very high102 Ų10268.1 Ų68.155%0.54536%0.363SS..THydrogen-bonded Turntrans-113.56.7-174.9-64.6-45.8000113.3K102 S110K102-N112 PolarHBondContact NZ-OD1 2.82Å; S110-N112 PolarHBondContact O-N 3.21Å; S110-N112 PolarHBondContact OG-N 2.83Å
113F96.4Very high94.8Very high103 Ų10365.1 Ų65.145%0.45235%0.352SS..EExtended strand (participates in β ladder)trans-133.391.9178.4-159.6-84.1000110.8C108 F109 S110 T115 G126C108-F113 WeakPolarHBondContact CA-O 3.45Å; F109-F113 HydrophobicContact CB-CD1 3.99Å; F109-F113 PolarHBondContact N-O 3.46Å; S110-F113 PolarHBondContact N-O 2.83Å; S110-F113 PolarHBondContact O-N 2.03Å; S110-F113 VanDerWaalsContact O-N 3.15Å; S110-F113 WeakPolarHBondContact OG-CB 3.49Å; S110-F113 PolarHBondContact OG-N 3.48Å; F113-T115 HydrophobicContact CD1-CG2 4.07Å; F113-T115 HydrophobicContact CE1-CG2 4.05Å; F113-G126 CarbonylContact C-O 3.46Å; F113-G126 WeakPolarHBondContact CA-O 3.07Å
114C96.6Very high94.9Very high7 Ų761.2 Ų61.25%0.04732%0.322CS..EExtended strand (participates in β ladder)trans-72.9146.2167.2-160.60000111.2C105 S107 R116 L123 G126 C128C105-C114 VanDerWaalsContact CA-SG 3.53Å; C105-C114 HydrophobicContact CB-CB 3.93Å; C105-C114 WeakPolarHBondContact CB-SG 3.37Å; C105-C114 WeakPolarHBondContact SG-CA 3.03Å; C105-C114 WeakPolarHBondContact SG-CB 3.48Å; C105-C114 CovalentContact SG-SG 2.03Å; C105-C114 PolarHBondContact SG-SG 2.04Å; S107-C114 PolarHBondContact O-SG 2.85Å; C114-R116 VanDerWaalsContact SG-C 3.58Å; C114-R116 PolarHBondContact SG-O 3.02Å; C114-L123 HydrophobicContact CB-CD1 4.14Å; C114-G126 WeakPolarHBondContact CB-O 3.03Å; C114-G126 PolarHBondContact N-O 2.03Å; C114-C128 PolarHBondContact SG-SG 3.46Å
115T95.2Very high94.9Very high70 Ų7069.4 Ų69.443%0.42935%0.35SS..EExtended strand (participates in β ladder)trans-118-11173.858.50000112.8S107 F109 F113S107-T115 PolarHBondContact O-N 2.84Å; S107-T115 PolarHBondContact O-OG1 3.16Å; S107-T115 VanDerWaalsContact O-OG1 3.1Å; F109-T115 HydrophobicContact CB-CG2 4.2Å; F113-T115 HydrophobicContact CD1-CG2 4.07Å; F113-T115 HydrophobicContact CE1-CG2 4.05Å
116R95.2Very high94.8Very high161 Ų16169.3 Ų69.361%0.60835%0.35SS*.EExtended strand (participates in β ladder)trans-157.4125.2172.7-173.8175.5-65.9164.20.4111.4A106 S107 C114A106-R116 WeakPolarHBondContact CA-O 3.23Å; A106-R116 WeakPolarHBondContact CB-O 3.41Å; A106-R116 PolarHBondContact N-O 3.12Å; S107-R116 PolarHBondContact N-O 3.18Å; S107-R116 VanDerWaalsContact N-O 3.1Å; S107-R116 PolarHBondContact O-N 3.41Å; C114-R116 VanDerWaalsContact SG-C 3.58Å; C114-R116 PolarHBondContact SG-O 3.02Å
117C95.6Very high94.8Very high2 Ų273.8 Ų73.81%0.01437%0.365CS..EExtended strand (participates in β ladder)trans-82.5156178.6-56.10000113.5H121 L123 C128C117-H121 HydrophobicContact CB-CB 3.87Å; C117-L123 VanDerWaalsContact SG-CA 3.54Å; C117-L123 PolarHBondContact SG-N 3.17Å; C117-L123 VanDerWaalsContact SG-N 3.43Å; C117-C128 WeakPolarHBondContact CA-SG 3.19Å; C117-C128 HydrophobicContact CB-CB 3.72Å; C117-C128 WeakPolarHBondContact CB-SG 3.46Å; C117-C128 WeakPolarHBondContact SG-CA 3.48Å; C117-C128 WeakPolarHBondContact SG-CB 3.09Å; C117-C128 CovalentContact SG-SG 2.03Å; C117-C128 PolarHBondContact SG-SG 2.79Å
118H94.8Very high94.8Very high80 Ų8072.5 Ų72.537%0.3736%0.356SS..PPolyproline II helixtrans-67.2159.1166.1-83.2-71000111.2V103 D104 A106 G120 H121V103-H118 PolarHBondContact O-CD2 2.84Å; D104-H118 PolarHBondContact O-N 3.16Å; A106-H118 WeakPolarHBondContact CA-NE2 3.04Å; A106-H118 PolarHBondContact N-CD2 3.45Å; H118-G120 PolarHBondContact O-N 2.96Å; H118-H121 PolarHBondContact O-N 3.44Å
119P93.9Very high94.7Very high91 Ų9175.4 Ų75.459%0.59137%0.368SS*.THydrogen-bonded Turntrans-54.8139.7174.5-22.633.5000111.6
120G91.9Very high94.6Very high58 Ų5871.8 Ų71.860%0.59836%0.363SS*.THydrogen-bonded Turntrans89.4-4.9-17500000115H118H118-G120 PolarHBondContact O-N 2.96Å
121H95.1Very high94.4Very high57 Ų5773.9 Ų73.926%0.26438%0.378SS..  trans-121.7154.5174.8-65.1-108.3000111.7C117 H118 C128 E129C117-H121 HydrophobicContact CB-CB 3.87Å; H118-H121 PolarHBondContact O-N 3.44Å; H121-C128 HydrophobicContact CB-CB 3.99Å; H121-C128 PolarHBondContact ND1-O 3.39Å; H121-C128 VanDerWaalsContact ND1-O 3.1Å; H121-E129 CarbonylContact C-O 3.47Å; H121-E129 WeakPolarHBondContact CA-O 3.31Å
122F95.4Very high94.5Very high36 Ų3669.9 Ų69.916%0.15836%0.362CS..EExtended strand (participates in β ladder)trans-121134.2-178.7-57.5-82.5000110.8Y124 E129 A138 R143 C145F122-Y124 PolarHBondContact O-N 3.36Å; F122-E129 PolarHBondContact N-O 3.13Å; F122-E129 PolarHBondContact O-N 2.95Å; F122-A138 HydrophobicContact CD1-CB 3.88Å; F122-A138 HydrophobicContact CD2-CB 4.17Å; F122-A138 HydrophobicContact CE1-CB 3.58Å; F122-A138 HydrophobicContact CE2-CB 3.88Å; F122-A138 HydrophobicContact CG-CB 4.18Å; F122-A138 HydrophobicContact CZ-CB 3.58Å; F122-R143 WeakPolarHBondContact CA-O 3.42Å; F122-C145 VanDerWaalsContact CB-SG 3.58Å
123L96.1Very high94.4Very high30 Ų3067.4 Ų67.416%0.15735%0.351CS..EExtended strand (participates in β ladder)trans-71.8124.6178.1-169.866.9000110.6C114 C117 K127 R143 E144 C145C114-L123 HydrophobicContact CB-CD1 4.14Å; C117-L123 VanDerWaalsContact SG-CA 3.54Å; C117-L123 PolarHBondContact SG-N 3.17Å; C117-L123 VanDerWaalsContact SG-N 3.43Å; L123-K127 CarbonylContact C-O 3.59Å; L123-K127 WeakPolarHBondContact CA-O 3.01Å; L123-R143 PolarHBondContact N-O 3.45Å; L123-E144 HydrophobicContact CB-CB 4.38Å; L123-E144 HydrophobicContact CB-CG 4.04Å; L123-C145 PolarHBondContact O-N 2.99Å
124Y95.6Very high93.9Very high59 Ų5969.9 Ų69.923%0.23137%0.369CS..EExtended strand (participates in β ladder)trans-140.8120173178-112.1000110.2F122 G126 K127 P133 L136 C145F122-Y124 PolarHBondContact O-N 3.36Å; Y124-G126 PolarHBondContact O-N 3.25Å; Y124-K127 PolarHBondContact N-O 3.32Å; Y124-K127 PolarHBondContact O-N 2.04Å; Y124-P133 HydrophobicContact CD1-CG 3.91Å; Y124-P133 HydrophobicContact CD2-CG 4.44Å; Y124-P133 HydrophobicContact CE1-CG 3.7Å; Y124-P133 HydrophobicContact CE2-CG 4.26Å; Y124-P133 HydrophobicContact CG-CG 4.27Å; Y124-L136 HydrophobicContact CD2-CD1 3.81Å; Y124-L136 HydrophobicContact CE2-CD1 3.35Å; Y124-C145 HydrophobicContact CD2-CB 4.19Å
125R94.1Very high93.3Very high209 Ų20970.5 Ų70.579%0.78938%0.377SS*.THydrogen-bonded Turntrans47.637.4178.8-65.3-178169.8171.3-2.3114.4
126G94.3Very high93.1Very high6 Ų668.6 Ų68.66%0.06236%0.364CS..THydrogen-bonded Turntrans80.113.7-178.500000115.3F113 C114 Y124F113-G126 CarbonylContact C-O 3.46Å; F113-G126 WeakPolarHBondContact CA-O 3.07Å; C114-G126 WeakPolarHBondContact CB-O 3.03Å; C114-G126 PolarHBondContact N-O 2.03Å; Y124-G126 PolarHBondContact O-N 3.25Å
127K95.8Very high92.9Very high118 Ų11861.4 Ų61.451%0.51334%0.338SS..EExtended strand (participates in β ladder)trans-122.5161.5173.4-62.4-175.4-179.2-178.20111.1L123 Y124L123-K127 CarbonylContact C-O 3.59Å; L123-K127 WeakPolarHBondContact CA-O 3.01Å; Y124-K127 PolarHBondContact N-O 3.32Å; Y124-K127 PolarHBondContact O-N 2.04Å
128C95.9Very high92.7Very high6 Ų663.4 Ų63.44%0.04136%0.355CS..EExtended strand (participates in β ladder)trans-11493.3-177.3-68.70000111.5D104 C114 C117 H121D104-C128 HydrophobicContact CB-CB 3.93Å; D104-C128 WeakPolarHBondContact OD2-CB 3.35Å; C114-C128 PolarHBondContact SG-SG 3.46Å; C117-C128 WeakPolarHBondContact CA-SG 3.19Å; C117-C128 HydrophobicContact CB-CB 3.72Å; C117-C128 WeakPolarHBondContact CB-SG 3.46Å; C117-C128 WeakPolarHBondContact SG-CA 3.48Å; C117-C128 WeakPolarHBondContact SG-CB 3.09Å; C117-C128 CovalentContact SG-SG 2.03Å; C117-C128 PolarHBondContact SG-SG 2.79Å; H121-C128 HydrophobicContact CB-CB 3.99Å; H121-C128 PolarHBondContact ND1-O 3.39Å; H121-C128 VanDerWaalsContact ND1-O 3.1Å
129E94.8Very high92.4Very high77 Ų7761.4 Ų61.436%0.3635%0.346SS..EExtended strand (participates in β ladder)trans-88.8146-177.8-53.3-60.2163.400110.6H121 F122 S131H121-E129 CarbonylContact C-O 3.47Å; H121-E129 WeakPolarHBondContact CA-O 3.31Å; F122-E129 PolarHBondContact N-O 3.13Å; F122-E129 PolarHBondContact O-N 2.95Å; E129-S131 VanDerWaalsContact C-N 3.3Å; E129-S131 VanDerWaalsContact CB-O 3.26Å; E129-S131 WeakPolarHBondContact CB-O 3.27Å
130S92.9Very high92Very high87 Ų8761 Ų6161%0.60835%0.351SS*.SBendtrans-73.9-23.2175.652.10000112.9
131S90.9Very high91.8Very high84 Ų8462.7 Ų62.759%0.58736%0.359SS*.SBendtrans-137.7150.217256.40000110.2E129E129-S131 VanDerWaalsContact C-N 3.3Å; E129-S131 VanDerWaalsContact CB-O 3.26Å; E129-S131 WeakPolarHBondContact CB-O 3.27Å
132C91.9Very high91.4Very high25 Ų2565 Ų6517%0.16937%0.373CS..PPolyproline II helixtrans-76.8142.3176.7-65.70000111.1L136 A138 C145C132-L136 HydrophobicContact CB-CB 4.07Å; C132-A138 VanDerWaalsContact SG-CA 3.59Å; C132-C145 WeakPolarHBondContact CA-SG 3.41Å; C132-C145 HydrophobicContact CB-CB 3.84Å; C132-C145 WeakPolarHBondContact CB-SG 3.48Å; C132-C145 WeakPolarHBondContact SG-CA 3.48Å; C132-C145 WeakPolarHBondContact SG-CB 3.26Å; C132-C145 CovalentContact SG-SG 2.04Å; C132-C145 PolarHBondContact SG-SG 3.27Å
133P90.8Very high91.2Very high50 Ų5068.7 Ų68.733%0.32539%0.386SS..PPolyproline II helixtrans-70.1162.6175.623.1-24.5000111.9Y124 G135 L136Y124-P133 HydrophobicContact CD1-CG 3.91Å; Y124-P133 HydrophobicContact CD2-CG 4.44Å; Y124-P133 HydrophobicContact CE1-CG 3.7Å; Y124-P133 HydrophobicContact CE2-CG 4.26Å; Y124-P133 HydrophobicContact CG-CG 4.27Å; P133-G135 PolarHBondContact O-N 3.47Å; P133-L136 HydrophobicContact CG-CD1 3.86Å; P133-L136 WeakPolarHBondContact O-CB 3.01Å; P133-L136 PolarHBondContact O-N 2.9Å
134N84.1Confident91.1Very high154 Ų15470.9 Ų70.982%0.82440%0.395SS*.THydrogen-bonded Turntrans-48.4135.7-176.4-64.8-14.8000112.9L154N134-L154 HydrophobicContact CB-CD2 4.18Å
135G84.7Confident91Very high21 Ų2168.9 Ų68.922%0.21639%0.39CS..THydrogen-bonded Turntrans87.31.1-177.100000114.8P133 C148 E153P133-G135 PolarHBondContact O-N 3.47Å; G135-C148 PolarHBondContact O-N 2.91Å; G135-C148 PolarHBondContact O-SG 2.88Å; G135-C148 VanDerWaalsContact O-SG 3.36Å; G135-E153 WeakPolarHBondContact CA-O 3.48Å
136L91.2Very high90.9Very high30 Ų3061.1 Ų61.116%0.15737%0.365CS..EExtended strand (participates in β ladder)trans-126.7142.5176.4-62.9146.5000110.6Y124 C132 P133 C145 T146 E147Y124-L136 HydrophobicContact CD2-CD1 3.81Å; Y124-L136 HydrophobicContact CE2-CD1 3.35Å; C132-L136 HydrophobicContact CB-CB 4.07Å; P133-L136 HydrophobicContact CG-CD1 3.86Å; P133-L136 WeakPolarHBondContact O-CB 3.01Å; P133-L136 PolarHBondContact O-N 2.9Å; L136-C145 HydrophobicContact CB-CB 4.2Å; L136-C145 HydrophobicContact CD1-CB 4.49Å; L136-T146 CarbonylContact C-O 3.53Å; L136-T146 VanDerWaalsContact CA-O 3.27Å; L136-T146 WeakPolarHBondContact CA-O 3.45Å; L136-E147 HydrophobicContact CD2-CG 4.3Å
137T91.8Very high90.8Very high9 Ų968 Ų686%0.05540%0.396CS..EExtended strand (participates in β ladder)trans-102.2145.1169.9179.20000110.8N139 T146 E147 G157 R158T137-N139 PolarHBondContact O-N 3.1Å; T137-T146 PolarHBondContact N-O 3.06Å; T137-T146 PolarHBondContact O-N 3.45Å; T137-T146 PolarHBondContact O-OG1 3.42Å; T137-E147 WeakPolarHBondContact CG2-O 3.38Å; T137-G157 WeakPolarHBondContact OG1-CA 3.47Å; T137-R158 PolarHBondContact OG1-N 2.96Å; T137-R158 VanDerWaalsContact OG1-N 3.14Å
138A91.1Very high90.5Very high45 Ų4563 Ų6337%0.37238%0.376SS..EExtended strand (participates in β ladder)trans-63.1125.6167.500000111.1F122 C132F122-A138 HydrophobicContact CD1-CB 3.88Å; F122-A138 HydrophobicContact CD2-CB 4.17Å; F122-A138 HydrophobicContact CE1-CB 3.58Å; F122-A138 HydrophobicContact CE2-CB 3.88Å; F122-A138 HydrophobicContact CG-CB 4.18Å; F122-A138 HydrophobicContact CZ-CB 3.58Å; C132-A138 VanDerWaalsContact SG-CA 3.59Å
139N87.4Confident90.1Very high37 Ų3765.1 Ų65.120%0.19839%0.389CS..EExtended strand (participates in β ladder)trans-102.6101.3168.6-175.8-27000109.5T137 A141 L142 R143 E144 T146T137-N139 PolarHBondContact O-N 3.1Å; N139-A141 VanDerWaalsContact C-N 3.27Å; N139-A141 PolarHBondContact O-N 2.78Å; N139-A141 WeakPolarHBondContact OD1-CB 3.03Å; N139-A141 PolarHBondContact OD1-N 2.86Å; N139-L142 WeakPolarHBondContact ND2-CD1 3.43Å; N139-L142 PolarHBondContact O-N 2.86Å; N139-L142 PolarHBondContact OD1-N 2.04Å; N139-R143 VanDerWaalsContact O-CA 3.25Å; N139-R143 WeakPolarHBondContact O-CA 3.03Å; N139-R143 PolarHBondContact O-N 3.39Å; N139-E144 WeakPolarHBondContact CB-O 3.46Å; N139-E144 PolarHBondContact N-O 2.99Å; N139-E144 PolarHBondContact O-N 3.14Å; N139-T146 HydrophobicContact CB-CG2 3.83Å
140A86.8Confident89.8Confident82 Ų8269.1 Ų69.168%0.67841%0.408SS*.THydrogen-bonded Turntrans-65.2-25.2-177.900000114.4
141A86.3Confident89.6Confident94 Ų9465.2 Ų65.278%0.77738%0.382SS*.THydrogen-bonded Turntrans-76.4-42.1-179.100000111.9N139N139-A141 VanDerWaalsContact C-N 3.27Å; N139-A141 PolarHBondContact O-N 2.78Å; N139-A141 WeakPolarHBondContact OD1-CB 3.03Å; N139-A141 PolarHBondContact OD1-N 2.86Å
142L87.7Confident89.7Confident107 Ų10761.5 Ų61.556%0.5636%0.356SS*.THydrogen-bonded Turntrans-86-25.5176.3-58.1179.5000112.6N139 E144N139-L142 WeakPolarHBondContact ND2-CD1 3.43Å; N139-L142 PolarHBondContact O-N 2.86Å; N139-L142 PolarHBondContact OD1-N 2.04Å; L142-E144 HydrophobicContact CB-CB 4.25Å; L142-E144 HydrophobicContact CB-CG 3.88Å
143R91.3Very high89.7Confident112 Ų11264.4 Ų64.442%0.42337%0.367SS..THydrogen-bonded Turntrans61.944.7-166.7-53.1-178.3-174.8170.51.5112.7F122 L123 N139F122-R143 WeakPolarHBondContact CA-O 3.42Å; L123-R143 PolarHBondContact N-O 3.45Å; N139-R143 VanDerWaalsContact O-CA 3.25Å; N139-R143 WeakPolarHBondContact O-CA 3.03Å; N139-R143 PolarHBondContact O-N 3.39Å
144E94Very high89.6Confident77 Ų7764 Ų6436%0.3636%0.362SS..EExtended strand (participates in β ladder)trans-133.6156.6-177.1-51.5-169.7150.100109.8L123 N139 L142L123-E144 HydrophobicContact CB-CB 4.38Å; L123-E144 HydrophobicContact CB-CG 4.04Å; N139-E144 WeakPolarHBondContact CB-O 3.46Å; N139-E144 PolarHBondContact N-O 2.99Å; N139-E144 PolarHBondContact O-N 3.14Å; L142-E144 HydrophobicContact CB-CB 4.25Å; L142-E144 HydrophobicContact CB-CG 3.88Å
145C93.9Very high89.9Confident17 Ų1757.3 Ų57.312%0.11533%0.327CS..EExtended strand (participates in β ladder)trans-85.8114.3169.6-66.90000109.6F122 L123 Y124 C132 L136F122-C145 VanDerWaalsContact CB-SG 3.58Å; L123-C145 PolarHBondContact O-N 2.99Å; Y124-C145 HydrophobicContact CD2-CB 4.19Å; C132-C145 WeakPolarHBondContact CA-SG 3.41Å; C132-C145 HydrophobicContact CB-CB 3.84Å; C132-C145 WeakPolarHBondContact CB-SG 3.48Å; C132-C145 WeakPolarHBondContact SG-CA 3.48Å; C132-C145 WeakPolarHBondContact SG-CB 3.26Å; C132-C145 CovalentContact SG-SG 2.04Å; C132-C145 PolarHBondContact SG-SG 3.27Å; L136-C145 HydrophobicContact CB-CB 4.2Å; L136-C145 HydrophobicContact CD1-CB 4.49Å
146T92.2Very high90Very high45 Ų4561.8 Ų61.828%0.27635%0.35SS..EExtended strand (participates in β ladder)trans-108.2158.9178.457.20000110.6L136 T137 N139L136-T146 CarbonylContact C-O 3.53Å; L136-T146 VanDerWaalsContact CA-O 3.27Å; L136-T146 WeakPolarHBondContact CA-O 3.45Å; T137-T146 PolarHBondContact N-O 3.06Å; T137-T146 PolarHBondContact O-N 3.45Å; T137-T146 PolarHBondContact O-OG1 3.42Å; N139-T146 HydrophobicContact CB-CG2 3.83Å
147E90.9Very high89.5Confident151 Ų15161.2 Ų61.271%0.70635%0.351SS*.EExtended strand (participates in β ladder)trans-59.4154.8177.8-62.6-177.5-177.900112.5L136 T137L136-E147 HydrophobicContact CD2-CG 4.3Å; T137-E147 WeakPolarHBondContact CG2-O 3.38Å
148C90.5Very high89Confident13 Ų1369.8 Ų69.89%0.08838%0.383CS..PPolyproline II helixtrans-59.5160.9171.8-68.50000111.9G135 C152 C155G135-C148 PolarHBondContact O-N 2.91Å; G135-C148 PolarHBondContact O-SG 2.88Å; G135-C148 VanDerWaalsContact O-SG 3.36Å; C148-C152 HydrophobicContact CB-CB 4.01Å; C148-C155 VanDerWaalsContact CA-SG 3.52Å; C148-C155 HydrophobicContact CB-CB 3.91Å; C148-C155 WeakPolarHBondContact CB-SG 3.4Å; C148-C155 WeakPolarHBondContact SG-CB 3.16Å; C148-C155 PolarHBondContact SG-N 2.97Å; C148-C155 CovalentContact SG-SG 2.04Å; C148-C155 PolarHBondContact SG-SG 3.15Å
149P87.8Confident88.7Confident50 Ų5073.7 Ų73.733%0.32540%0.397SS..PPolyproline II helixtrans-56.4162.5178.2-23.733.4000113.5G151 C152 R158P149-G151 PolarHBondContact O-N 2.75Å; P149-C152 VanDerWaalsContact O-CB 3.23Å; P149-C152 WeakPolarHBondContact O-CB 3.44Å; P149-C152 PolarHBondContact O-N 2.85Å; P149-R158 WeakPolarHBondContact CG-O 3.39Å
150E87.4Confident88.8Confident161 Ų16175.9 Ų75.975%0.75241%0.409SS*.THydrogen-bonded Turntrans-52.9138.9175-78.6-64.2178.600112.7C152 R165E150-C152 PolarHBondContact O-N 3.43Å; E150-C152 VanDerWaalsContact O-N 3.16Å; E150-R165 IonicContact OE2-CZ 2.96Å; E150-R165 IonicContact OE2-NH1 3.99Å; E150-R165 PolarHBondContact OE2-NH1 3.07Å
151G89Confident89Confident6 Ų672.3 Ų72.36%0.06238%0.379CS..THydrogen-bonded Turntrans72.5-9.3-174.600000115.8P149 R165 M168P149-G151 PolarHBondContact O-N 2.75Å; G151-R165 PolarHBondContact O-N 3.29Å; G151-M168 WeakPolarHBondContact CA-SD 2.99Å
152C92.8Very high89.3Confident5 Ų571.3 Ų71.33%0.03436%0.364CS..EExtended strand (participates in β ladder)trans-93.7137.7177.5-170.80000111.6C148 P149 E150 L154 C161C148-C152 HydrophobicContact CB-CB 4.01Å; P149-C152 VanDerWaalsContact O-CB 3.23Å; P149-C152 WeakPolarHBondContact O-CB 3.44Å; P149-C152 PolarHBondContact O-N 2.85Å; E150-C152 PolarHBondContact O-N 3.43Å; E150-C152 VanDerWaalsContact O-N 3.16Å; C152-L154 VanDerWaalsContact SG-C 3.58Å; C152-L154 PolarHBondContact SG-O 2.95Å; C152-C161 VanDerWaalsContact CA-SG 3.56Å; C152-C161 HydrophobicContact CB-CB 3.98Å; C152-C161 WeakPolarHBondContact CB-SG 3.46Å; C152-C161 VanDerWaalsContact SG-CA 3.57Å; C152-C161 WeakPolarHBondContact SG-CB 3.27Å; C152-C161 CovalentContact SG-SG 2.03Å; C152-C161 PolarHBondContact SG-SG 3.1Å
153E91.4Very high89.5Confident86 Ų8672.1 Ų72.140%0.40236%0.359SS..EExtended strand (participates in β ladder)trans-102.6-44.7175.4-163.2-155.8157.400111.4G135 R163 R165G135-E153 WeakPolarHBondContact CA-O 3.48Å; E153-R163 WeakPolarHBondContact CA-O 3.05Å; E153-R163 WeakPolarHBondContact CB-O 2.99Å; E153-R163 PolarHBondContact N-O 2.81Å; E153-R163 IonicContact OE1-CZ 2.76Å; E153-R163 IonicContact OE1-NE 3.13Å; E153-R163 IonicContact OE1-NH2 3.73Å; E153-R163 PolarHBondContact OE1-NH2 3.21Å; E153-R163 IonicContact OE2-CZ 2.64Å; E153-R163 IonicContact OE2-NE 3.66Å; E153-R163 PolarHBondContact OE2-NE 2.8Å; E153-R163 IonicContact OE2-NH2 2.74Å; E153-R163 PolarHBondContact OE2-NH2 2.03Å; E153-R165 HydrophobicContact CB-CG 4.27Å
154L90.5Very high89.6Confident43 Ų4367.5 Ų67.523%0.22534%0.344CS..EExtended strand (participates in β ladder)trans-125130.9175.4-62178.8000110.3N134 C152 C161 T162 R163N134-L154 HydrophobicContact CB-CD2 4.18Å; C152-L154 VanDerWaalsContact SG-C 3.58Å; C152-L154 PolarHBondContact SG-O 2.95Å; L154-C161 PolarHBondContact O-SG 2.81Å; L154-T162 PolarHBondContact O-N 3.34Å; L154-T162 PolarHBondContact O-OG1 3.34Å; L154-R163 HydrophobicContact CB-CB 3.92Å; L154-R163 HydrophobicContact CD1-CB 4.15Å; L154-R163 VanDerWaalsContact CD1-CZ 3.49Å; L154-R163 HydrophobicContact CG-CB 4.16Å; L154-R163 PolarHBondContact N-O 2.87Å; L154-R163 PolarHBondContact O-N 3.36Å; L154-R163 VanDerWaalsContact O-N 3.12Å
155C90.4Very high89.5Confident13 Ų1368.7 Ų68.79%0.08835%0.345CS..EExtended strand (participates in β ladder)trans-136.9149.7178.361.80000110.9C148 N160C148-C155 VanDerWaalsContact CA-SG 3.52Å; C148-C155 HydrophobicContact CB-CB 3.91Å; C148-C155 WeakPolarHBondContact CB-SG 3.4Å; C148-C155 WeakPolarHBondContact SG-CB 3.16Å; C148-C155 PolarHBondContact SG-N 2.97Å; C148-C155 CovalentContact SG-SG 2.04Å; C148-C155 PolarHBondContact SG-SG 3.15Å; C155-N160 CarbonylContact C-O 3.52Å; C155-N160 VanDerWaalsContact CA-O 3.31Å; C155-N160 WeakPolarHBondContact CA-O 3.32Å; C155-N160 WeakPolarHBondContact CB-O 3.32Å
156V85.9Confident89.3Confident114 Ų11471.7 Ų71.769%0.69137%0.371SS*.EExtended strand (participates in β ladder)trans-94.3-17.3170.1178.50000110.7N160 T162V156-N160 PolarHBondContact N-O 3.43Å; V156-T162 HydrophobicContact CG2-CG2 3.79Å
157G81.5Confident89.2Confident19 Ų1975.6 Ų75.620%0.19639%0.39CS..EExtended strand (participates in β ladder)trans-172.5177.9172.100000111.6T137 N159 N160T137-G157 WeakPolarHBondContact OG1-CA 3.47Å; G157-N159 PolarHBondContact O-N 3.01Å; G157-N160 PolarHBondContact O-N 2.91Å
158R81.4Confident89.3Confident188 Ų18869 Ų6971%0.70936%0.36SS*.THydrogen-bonded Turntrans-51.8-29.3-171.9-162.1177.6-148.9-1071115.9T137 P149T137-R158 PolarHBondContact OG1-N 2.96Å; T137-R158 VanDerWaalsContact OG1-N 3.14Å; P149-R158 WeakPolarHBondContact CG-O 3.39Å
159N83.3Confident89.6Confident127 Ų12770.3 Ų70.368%0.67936%0.363SS*.THydrogen-bonded Turntrans-121.815.4-179-60.8-0.6000112.4G157G157-N159 PolarHBondContact O-N 3.01Å
160N89.3Confident89.9Confident84 Ų8469.4 Ų69.445%0.44936%0.355SS..EExtended strand (participates in β ladder)trans-13280.5-176.9-170.3-3.8000109.6C155 V156 G157C155-N160 CarbonylContact C-O 3.52Å; C155-N160 VanDerWaalsContact CA-O 3.31Å; C155-N160 WeakPolarHBondContact CA-O 3.32Å; C155-N160 WeakPolarHBondContact CB-O 3.32Å; V156-N160 PolarHBondContact N-O 3.43Å; G157-N160 PolarHBondContact O-N 2.91Å
161C91.9Very high90.2Very high7 Ų762.5 Ų62.55%0.04732%0.323CS..EExtended strand (participates in β ladder)trans-76137.5170-1630000110.4C152 L154 R163 L170 G173 C175C152-C161 VanDerWaalsContact CA-SG 3.56Å; C152-C161 HydrophobicContact CB-CB 3.98Å; C152-C161 WeakPolarHBondContact CB-SG 3.46Å; C152-C161 VanDerWaalsContact SG-CA 3.57Å; C152-C161 WeakPolarHBondContact SG-CB 3.27Å; C152-C161 CovalentContact SG-SG 2.03Å; C152-C161 PolarHBondContact SG-SG 3.1Å; L154-C161 PolarHBondContact O-SG 2.81Å; C161-R163 PolarHBondContact SG-O 2.04Å; C161-L170 HydrophobicContact CB-CD1 4.12Å; C161-L170 WeakPolarHBondContact O-CD1 3.45Å; C161-G173 WeakPolarHBondContact CB-O 3.33Å; C161-G173 PolarHBondContact N-O 2.8Å; C161-C175 PolarHBondContact SG-SG 3.21Å
162T91.7Very high90.4Very high73 Ų7369.7 Ų69.745%0.44836%0.355SS..EExtended strand (participates in β ladder)trans-112.6-19.7175.654.50000112.8L154 V156L154-T162 PolarHBondContact O-N 3.34Å; L154-T162 PolarHBondContact O-OG1 3.34Å; V156-T162 HydrophobicContact CG2-CG2 3.79Å
163R91.6Very high90.3Very high123 Ų12370.1 Ų70.146%0.46436%0.36SS..EExtended strand (participates in β ladder)trans-144.3123.7170.3-167.1165.375.1-159.46.8110.8E153 L154 C161E153-R163 WeakPolarHBondContact CA-O 3.05Å; E153-R163 WeakPolarHBondContact CB-O 2.99Å; E153-R163 PolarHBondContact N-O 2.81Å; E153-R163 IonicContact OE1-CZ 2.76Å; E153-R163 IonicContact OE1-NE 3.13Å; E153-R163 IonicContact OE1-NH2 3.73Å; E153-R163 PolarHBondContact OE1-NH2 3.21Å; E153-R163 IonicContact OE2-CZ 2.64Å; E153-R163 IonicContact OE2-NE 3.66Å; E153-R163 PolarHBondContact OE2-NE 2.8Å; E153-R163 IonicContact OE2-NH2 2.74Å; E153-R163 PolarHBondContact OE2-NH2 2.03Å; L154-R163 HydrophobicContact CB-CB 3.92Å; L154-R163 HydrophobicContact CD1-CB 4.15Å; L154-R163 VanDerWaalsContact CD1-CZ 3.49Å; L154-R163 HydrophobicContact CG-CB 4.16Å; L154-R163 PolarHBondContact N-O 2.87Å; L154-R163 PolarHBondContact O-N 3.36Å; L154-R163 VanDerWaalsContact O-N 3.12Å; C161-R163 PolarHBondContact SG-O 2.04Å
164C93.5Very high90.3Very high15 Ų1571.8 Ų71.810%0.10137%0.368CS..EExtended strand (participates in β ladder)trans-80159.5173.6-59.90000111.4M168 C175C164-M168 HydrophobicContact CB-CB 3.87Å; C164-C175 WeakPolarHBondContact CA-SG 3.49Å; C164-C175 HydrophobicContact CB-CB 3.76Å; C164-C175 WeakPolarHBondContact CB-SG 3.07Å; C164-C175 WeakPolarHBondContact SG-CA 3.27Å; C164-C175 WeakPolarHBondContact SG-CB 3.03Å; C164-C175 CovalentContact SG-SG 2.03Å; C164-C175 PolarHBondContact SG-SG 3.23Å
165R92.6Very high90.5Very high103 Ų10370.8 Ų70.839%0.38936%0.364SS..PPolyproline II helixtrans-64167.5166.9-65.4178.8-174.8155.61109.7E150 G151 E153 M168E150-R165 IonicContact OE2-CZ 2.96Å; E150-R165 IonicContact OE2-NH1 3.99Å; E150-R165 PolarHBondContact OE2-NH1 3.07Å; G151-R165 PolarHBondContact O-N 3.29Å; E153-R165 HydrophobicContact CB-CG 4.27Å; R165-M168 PolarHBondContact O-N 3.2Å
166A90.6Very high90.7Very high79 Ų7972.6 Ų72.665%0.65337%0.373SS*.THydrogen-bonded Turntrans-52.1148.9176.900000112.2M168A166-M168 PolarHBondContact O-N 3.1Å
167D88.8Confident91Very high128 Ų12873.6 Ų73.668%0.68437%0.37SS*.THydrogen-bonded Turntrans58.528.7178.6-46.1-40.4000114.8
168M94.4Very high91.6Very high13 Ų1378.3 Ų78.36%0.06440%0.395CS..  trans-133.2140.5173.5-61.2-172.780.700111.3G151 C164 R165 A166 C175 H177G151-M168 WeakPolarHBondContact CA-SD 2.99Å; C164-M168 HydrophobicContact CB-CB 3.87Å; R165-M168 PolarHBondContact O-N 3.2Å; A166-M168 PolarHBondContact O-N 3.1Å; M168-C175 HydrophobicContact CB-CB 4.33Å; M168-C175 HydrophobicContact CE-CB 3.75Å; M168-C175 WeakPolarHBondContact CE-O 3.11Å; M168-C175 HydrophobicContact SD-CB 4.3Å; M168-H177 WeakPolarHBondContact CG-ND1 3Å
169Y95Very high92.1Very high40 Ų4070.2 Ų70.216%0.15737%0.367CS..EExtended strand (participates in β ladder)trans-103.5131.9-177.7-58.9-88000110.6N176 P185 V187 M190 C192Y169-N176 PolarHBondContact N-O 3.1Å; Y169-N176 PolarHBondContact O-N 2.8Å; Y169-P185 HydrophobicContact CD1-CB 3.77Å; Y169-P185 HydrophobicContact CD2-CB 4.27Å; Y169-P185 HydrophobicContact CE1-CB 3.4Å; Y169-P185 VanDerWaalsContact CE1-CB 3.4Å; Y169-P185 HydrophobicContact CE2-CB 3.95Å; Y169-P185 HydrophobicContact CG-CB 4.2Å; Y169-V187 HydrophobicContact CE1-CG1 4.38Å; Y169-M190 WeakPolarHBondContact CA-O 3.31Å; Y169-M190 HydrophobicContact CE1-SD 4.44Å; Y169-C192 WeakPolarHBondContact CB-SG 3.17Å
170L95Very high92.6Very high31 Ų3167 Ų6716%0.16235%0.353CS..EExtended strand (participates in β ladder)trans-77.3130.2176.3-177.968.4000110.9C161 Q174 M190 Q191 C192C161-L170 HydrophobicContact CB-CD1 4.12Å; C161-L170 WeakPolarHBondContact O-CD1 3.45Å; L170-Q174 WeakPolarHBondContact CA-O 3.49Å; L170-M190 PolarHBondContact N-O 3.42Å; L170-Q191 HydrophobicContact CB-CG 3.94Å; L170-Q191 WeakPolarHBondContact O-CA 3.24Å; L170-C192 PolarHBondContact O-N 3.19Å
171L94.8Very high92.7Very high16 Ų1672.9 Ų72.98%0.08438%0.375CS..EExtended strand (participates in β ladder)trans-143.1122.7171.7-176.755.6000109.8G173 Q174 P180 F183 C192L171-G173 PolarHBondContact O-N 2.03Å; L171-G173 VanDerWaalsContact O-N 3.1Å; L171-Q174 PolarHBondContact N-O 3.06Å; L171-Q174 PolarHBondContact O-N 3.38Å; L171-P180 HydrophobicContact CD2-CG 3.4Å; L171-P180 VanDerWaalsContact CD2-CG 3.4Å; L171-F183 HydrophobicContact CD1-CD1 3.78Å; L171-F183 HydrophobicContact CD1-CE1 3.56Å; L171-F183 HydrophobicContact CD1-CG 4.46Å; L171-F183 HydrophobicContact CD1-CZ 4.08Å; L171-F183 HydrophobicContact CD2-CD1 4.27Å; L171-F183 HydrophobicContact CD2-CD2 4.13Å; L171-F183 HydrophobicContact CD2-CE1 4.44Å; L171-F183 HydrophobicContact CD2-CE2 4.31Å; L171-F183 HydrophobicContact CD2-CG 4.13Å; L171-F183 HydrophobicContact CD2-CZ 4.47Å; L171-C192 HydrophobicContact CB-CB 3.92Å; L171-C192 HydrophobicContact CD1-CB 4.04Å; L171-C192 HydrophobicContact CD2-CB 4.02Å; L171-C192 HydrophobicContact CG-CB 4.2Å
172H92.2Very high92.6Very high156 Ų15674 Ų7472%0.72239%0.388SS*.THydrogen-bonded Turntrans48.738.1176.7-55.5127.3000115Q174 F183H172-Q174 VanDerWaalsContact C-N 3.35Å; H172-F183 AromaticContact CE1-CZ 3.98Å
173G90.3Very high92.7Very high14 Ų1473 Ų7314%0.14438%0.377CS..THydrogen-bonded Turntrans819-179.100000115.1C161 L171C161-G173 WeakPolarHBondContact CB-O 3.33Å; C161-G173 PolarHBondContact N-O 2.8Å; L171-G173 PolarHBondContact O-N 2.03Å; L171-G173 VanDerWaalsContact O-N 3.1Å
174Q92.8Very high92.7Very high121 Ų12168.8 Ų68.857%0.56536%0.363SS*.EExtended strand (participates in β ladder)trans-122.7150.2179.3-63.1175.6-1500110.9L170 L171 H172L170-Q174 WeakPolarHBondContact CA-O 3.49Å; L171-Q174 PolarHBondContact N-O 3.06Å; L171-Q174 PolarHBondContact O-N 3.38Å; H172-Q174 VanDerWaalsContact C-N 3.35Å
175C94.1Very high92.6Very high23 Ų2371.4 Ų71.416%0.15538%0.38CS..EExtended strand (participates in β ladder)trans-104.5125.9-179-62.50000110.7C161 C164 M168C161-C175 PolarHBondContact SG-SG 3.21Å; C164-C175 WeakPolarHBondContact CA-SG 3.49Å; C164-C175 HydrophobicContact CB-CB 3.76Å; C164-C175 WeakPolarHBondContact CB-SG 3.07Å; C164-C175 WeakPolarHBondContact SG-CA 3.27Å; C164-C175 WeakPolarHBondContact SG-CB 3.03Å; C164-C175 CovalentContact SG-SG 2.03Å; C164-C175 PolarHBondContact SG-SG 3.23Å; M168-C175 HydrophobicContact CB-CB 4.33Å; M168-C175 HydrophobicContact CE-CB 3.75Å; M168-C175 WeakPolarHBondContact CE-O 3.11Å; M168-C175 HydrophobicContact SD-CB 4.3Å
176N94Very high92.6Very high51 Ų5168.5 Ų68.527%0.27337%0.372SS..EExtended strand (participates in β ladder)trans-122.9136.2179.6-62.8-65000110.7Y169 T178Y169-N176 PolarHBondContact N-O 3.1Å; Y169-N176 PolarHBondContact O-N 2.8Å; N176-T178 VanDerWaalsContact C-N 3.28Å; N176-T178 WeakPolarHBondContact CB-O 3.45Å; N176-T178 PolarHBondContact O-N 3.49Å
177H92.5Very high92.5Very high134 Ų13469.6 Ų69.662%0.6237%0.37SS*.SBendtrans-66.8-31.1172.1-69.8-68.6000112.6M168M168-H177 WeakPolarHBondContact CG-ND1 3Å
178T93.4Very high92.5Very high118 Ų11871.9 Ų71.972%0.72438%0.377SS*.SBendtrans-132133.4176.1-47.50000108.4N176N176-T178 VanDerWaalsContact C-N 3.28Å; N176-T178 WeakPolarHBondContact CB-O 3.45Å; N176-T178 PolarHBondContact O-N 3.49Å
179C93.3Very high92.3Very high18 Ų1875.8 Ų75.812%0.12240%0.397CS..PPolyproline II helixtrans-63.2138.3175.4-65.60000111.4F183 C192C179-F183 HydrophobicContact CB-CB 4.03Å; C179-C192 WeakPolarHBondContact CA-SG 3.42Å; C179-C192 HydrophobicContact CB-CB 3.84Å; C179-C192 WeakPolarHBondContact CB-SG 3.25Å; C179-C192 WeakPolarHBondContact SG-CA 3.49Å; C179-C192 WeakPolarHBondContact SG-CB 3.43Å; C179-C192 CovalentContact SG-SG 2.04Å; C179-C192 PolarHBondContact SG-SG 3.12Å
180P93.6Very high92.1Very high59 Ų5977.3 Ų77.338%0.38341%0.407SS..PPolyproline II helixtrans-69.9167.6178.329.5-34.6000111.7L171 G182 F183L171-P180 HydrophobicContact CD2-CG 3.4Å; L171-P180 VanDerWaalsContact CD2-CG 3.4Å; P180-G182 PolarHBondContact O-N 3.18Å; P180-F183 HydrophobicContact CG-CD2 4.02Å; P180-F183 WeakPolarHBondContact O-CB 3.48Å; P180-F183 PolarHBondContact O-N 3.31Å
181K90.8Very high92.1Very high209 Ų20979.5 Ų79.591%0.90942%0.416SS*.THydrogen-bonded Turntrans-53.3137.8179.1-65.2-174.2177.2-174.70111.7F183K181-F183 VanDerWaalsContact C-N 3.3Å
182G89.3Confident92.1Very high31 Ų3179.1 Ų79.132%0.3242%0.415SS..THydrogen-bonded Turntrans82.94.8-173.800000113.9P180 Q195P180-G182 PolarHBondContact O-N 3.18Å; G182-Q195 VanDerWaalsContact CA-OE1 3.32Å; G182-Q195 PolarHBondContact O-N 3.06Å
183F93.5Very high92.2Very high50 Ų5075.4 Ų75.422%0.21940%0.398CS..EExtended strand (participates in β ladder)trans-133.1144.5173.9-63.5-96.7000111.6L171 H172 C179 P180 K181 C192 M193 P194 Q195L171-F183 HydrophobicContact CD1-CD1 3.78Å; L171-F183 HydrophobicContact CD1-CE1 3.56Å; L171-F183 HydrophobicContact CD1-CG 4.46Å; L171-F183 HydrophobicContact CD1-CZ 4.08Å; L171-F183 HydrophobicContact CD2-CD1 4.27Å; L171-F183 HydrophobicContact CD2-CD2 4.13Å; L171-F183 HydrophobicContact CD2-CE1 4.44Å; L171-F183 HydrophobicContact CD2-CE2 4.31Å; L171-F183 HydrophobicContact CD2-CG 4.13Å; L171-F183 HydrophobicContact CD2-CZ 4.47Å; H172-F183 AromaticContact CE1-CZ 3.98Å; C179-F183 HydrophobicContact CB-CB 4.03Å; P180-F183 HydrophobicContact CG-CD2 4.02Å; P180-F183 WeakPolarHBondContact O-CB 3.48Å; P180-F183 PolarHBondContact O-N 3.31Å; K181-F183 VanDerWaalsContact C-N 3.3Å; F183-C192 HydrophobicContact CB-CB 3.99Å; F183-C192 HydrophobicContact CD1-CB 4.27Å; F183-C192 HydrophobicContact CG-CB 4.4Å; F183-M193 CarbonylContact C-O 3.5Å; F183-M193 WeakPolarHBondContact CA-O 3.46Å; F183-M193 WeakPolarHBondContact CB-O 3.47Å; F183-P194 HydrophobicContact CD1-CG 4.41Å; F183-P194 HydrophobicContact CE1-CB 4.44Å; F183-P194 HydrophobicContact CE1-CG 4.06Å; F183-Q195 PolarHBondContact O-NE2 2.88Å; F183-Q195 VanDerWaalsContact O-NE2 3.16Å
184E91.9Very high92.2Very high36 Ų3678.4 Ų78.417%0.16842%0.415CS..EExtended strand (participates in β ladder)trans-117.7149.5175.261-177.7-167.800111.2D186 M193 Q195 S234 S236E184-D186 PolarHBondContact O-N 3.39Å; E184-M193 PolarHBondContact N-O 2.86Å; E184-M193 PolarHBondContact O-N 2.89Å; E184-Q195 HydrophobicContact CB-CG 3.99Å; E184-Q195 HydrophobicContact CG-CG 4.2Å; E184-S234 WeakPolarHBondContact OE1-CB 3.16Å; E184-S234 PolarHBondContact OE1-OG 2.03Å; E184-S234 PolarHBondContact OE2-OG 2.63Å; E184-S234 VanDerWaalsContact OE2-OG 3.11Å; E184-S236 WeakPolarHBondContact OE2-CB 3.23Å; E184-S236 PolarHBondContact OE2-N 2.81Å; E184-S236 PolarHBondContact OE2-OG 2.85Å
185P92.9Very high92.2Very high70 Ų7075.1 Ų75.146%0.45540%0.4SS..EExtended strand (participates in β ladder)trans-76.7120.7-178.528.9-33000112Y169Y169-P185 HydrophobicContact CD1-CB 3.77Å; Y169-P185 HydrophobicContact CD2-CB 4.27Å; Y169-P185 HydrophobicContact CE1-CB 3.4Å; Y169-P185 VanDerWaalsContact CE1-CB 3.4Å; Y169-P185 HydrophobicContact CE2-CB 3.95Å; Y169-P185 HydrophobicContact CG-CB 4.2Å
186D91.4Very high92Very high41 Ų4177 Ų7722%0.21941%0.411CS..EExtended strand (participates in β ladder)trans-88.8109.3164.4-171.7-43.4000109.2E184 Q188 L189 M190 Q191 M193E184-D186 PolarHBondContact O-N 3.39Å; D186-Q188 VanDerWaalsContact C-N 3.32Å; D186-Q188 WeakPolarHBondContact OD1-CA 3.45Å; D186-Q188 WeakPolarHBondContact OD1-CB 3.45Å; D186-Q188 PolarHBondContact OD1-N 2.94Å; D186-L189 HydrophobicContact CB-CB 4.29Å; D186-L189 PolarHBondContact OD1-N 2.82Å; D186-M190 VanDerWaalsContact O-CA 3.24Å; D186-M190 WeakPolarHBondContact O-CA 3.28Å; D186-M190 PolarHBondContact O-N 2.83Å; D186-Q191 PolarHBondContact N-O 3.23Å; D186-Q191 PolarHBondContact O-N 2.93Å; D186-M193 HydrophobicContact CB-CG 3.78Å
187V89.2Confident91.9Very high102 Ų10278.6 Ų78.662%0.61842%0.416SS*.THydrogen-bonded Turntrans-76.8-13.3-179.9-65.30000114.2Y169Y169-V187 HydrophobicContact CE1-CG1 4.38Å
188Q88.1Confident91.9Very high177 Ų17773.1 Ų73.183%0.82739%0.393SS*.THydrogen-bonded Turntrans-87.7-37.8176.7-60.2-177.6-5.500110.7D186D186-Q188 VanDerWaalsContact C-N 3.32Å; D186-Q188 WeakPolarHBondContact OD1-CA 3.45Å; D186-Q188 WeakPolarHBondContact OD1-CB 3.45Å; D186-Q188 PolarHBondContact OD1-N 2.94Å
189L89.3Confident92Very high95 Ų9572.9 Ų72.950%0.49738%0.384SS..THydrogen-bonded Turntrans-96.1-9.2-180-62179000113.8D186 Q191D186-L189 HydrophobicContact CB-CB 4.29Å; D186-L189 PolarHBondContact OD1-N 2.82Å; L189-Q191 HydrophobicContact CB-CB 4.17Å; L189-Q191 WeakPolarHBondContact O-CG 3.41Å; L189-Q191 PolarHBondContact O-N 3.49Å; L189-Q191 PolarHBondContact O-NE2 3.1Å
190M92.4Very high92.1Very high71 Ų7173.7 Ų73.735%0.3539%0.388SS..THydrogen-bonded Turntrans49.645.2-172.9-61.7-66.2-8700111.8Y169 L170 D186Y169-M190 WeakPolarHBondContact CA-O 3.31Å; Y169-M190 HydrophobicContact CE1-SD 4.44Å; L170-M190 PolarHBondContact N-O 3.42Å; D186-M190 VanDerWaalsContact O-CA 3.24Å; D186-M190 WeakPolarHBondContact O-CA 3.28Å; D186-M190 PolarHBondContact O-N 2.83Å
191Q94.7Very high92.2Very high78 Ų7871.6 Ų71.636%0.36438%0.377SS..EExtended strand (participates in β ladder)trans-133.4154.5-173-85164.467.300111L170 D186 L189L170-Q191 HydrophobicContact CB-CG 3.94Å; L170-Q191 WeakPolarHBondContact O-CA 3.24Å; D186-Q191 PolarHBondContact N-O 3.23Å; D186-Q191 PolarHBondContact O-N 2.93Å; L189-Q191 HydrophobicContact CB-CB 4.17Å; L189-Q191 WeakPolarHBondContact O-CG 3.41Å; L189-Q191 PolarHBondContact O-N 3.49Å; L189-Q191 PolarHBondContact O-NE2 3.1Å
192C94.8Very high92.4Very high8 Ų870 Ų705%0.05437%0.373CS..EExtended strand (participates in β ladder)trans-90112.5170.1-66.70000109.7Y169 L170 L171 C179 F183Y169-C192 WeakPolarHBondContact CB-SG 3.17Å; L170-C192 PolarHBondContact O-N 3.19Å; L171-C192 HydrophobicContact CB-CB 3.92Å; L171-C192 HydrophobicContact CD1-CB 4.04Å; L171-C192 HydrophobicContact CD2-CB 4.02Å; L171-C192 HydrophobicContact CG-CB 4.2Å; C179-C192 WeakPolarHBondContact CA-SG 3.42Å; C179-C192 HydrophobicContact CB-CB 3.84Å; C179-C192 WeakPolarHBondContact CB-SG 3.25Å; C179-C192 WeakPolarHBondContact SG-CA 3.49Å; C179-C192 WeakPolarHBondContact SG-CB 3.43Å; C179-C192 CovalentContact SG-SG 2.04Å; C179-C192 PolarHBondContact SG-SG 3.12Å; F183-C192 HydrophobicContact CB-CB 3.99Å; F183-C192 HydrophobicContact CD1-CB 4.27Å; F183-C192 HydrophobicContact CG-CB 4.4Å
193M93.1Very high92.8Very high77 Ų7771.3 Ų71.338%0.37937%0.368SS..EExtended strand (participates in β ladder)trans-93.2146.3178-67.7-62-72.300110.6F183 E184 D186 Q195F183-M193 CarbonylContact C-O 3.5Å; F183-M193 WeakPolarHBondContact CA-O 3.46Å; F183-M193 WeakPolarHBondContact CB-O 3.47Å; E184-M193 PolarHBondContact N-O 2.86Å; E184-M193 PolarHBondContact O-N 2.89Å; D186-M193 HydrophobicContact CB-CG 3.78Å; M193-Q195 PolarHBondContact O-N 2.79Å
194P92Very high92.9Very high77 Ų7772 Ų7250%0.538%0.377SS..EExtended strand (participates in β ladder)trans-60.8134.5177.6-22.233.3000112.1F183F183-P194 HydrophobicContact CD1-CG 4.41Å; F183-P194 HydrophobicContact CE1-CB 4.44Å; F183-P194 HydrophobicContact CE1-CG 4.06Å
195Q91Very high93.1Very high53 Ų5375.3 Ų75.325%0.24840%0.404CS..PPolyproline II helixtrans-68.9132.3169.1-74.4171.1-13.700109.4G182 F183 E184 M193G182-Q195 VanDerWaalsContact CA-OE1 3.32Å; G182-Q195 PolarHBondContact O-N 3.06Å; F183-Q195 PolarHBondContact O-NE2 2.88Å; F183-Q195 VanDerWaalsContact O-NE2 3.16Å; E184-Q195 HydrophobicContact CB-CG 3.99Å; E184-Q195 HydrophobicContact CG-CG 4.2Å; M193-Q195 PolarHBondContact O-N 2.79Å
196V91.8Very high93.1Very high62 Ų6275.1 Ų75.138%0.37639%0.394SS..  trans-109.5121.8176.5-177.60000107.7H231 F232 P233 S234 G237V196-H231 HydrophobicContact CG1-CB 4.36Å; V196-F232 WeakPolarHBondContact CG1-O 3.47Å; V196-P233 CarbonylContact O-C 3.58Å; V196-P233 VanDerWaalsContact O-CA 3.27Å; V196-P233 WeakPolarHBondContact O-CA 3.36Å; V196-S234 PolarHBondContact N-OG 2.82Å; V196-S234 PolarHBondContact O-N 3.12Å; V196-S234 PolarHBondContact O-OG 2.79Å; V196-G237 WeakPolarHBondContact O-CA 3.44Å
197H90.6Very high93.1Very high84 Ų8475 Ų7539%0.38940%0.403SS..PPolyproline II helixtrans-89.7156.1174.7-57.5-99.8000109.1E199 D238H197-E199 PolarHBondContact O-N 2.85Å; H197-D238 HydrophobicContact CB-CB 4.45Å; H197-D238 IonicContact CE1-OD2 2.66Å; H197-D238 PolarHBondContact CE1-OD2 3.44Å; H197-D238 IonicContact CG-OD2 3.97Å; H197-D238 IonicContact ND1-OD2 2.77Å; H197-D238 PolarHBondContact ND1-OD2 2.83Å
198C93.6Very high93.2Very high19 Ų1978.7 Ų78.713%0.12841%0.413CS..PPolyproline II helixtrans-71.5119.4179-173.30000111.9H231 P233 D238 C240C198-H231 WeakPolarHBondContact CA-O 3.01Å; C198-H231 PolarHBondContact SG-O 3.07Å; C198-H231 VanDerWaalsContact SG-O 3.4Å; C198-P233 HydrophobicContact CB-CB 4.02Å; C198-P233 HydrophobicContact CB-CG 3.95Å; C198-D238 WeakPolarHBondContact CB-O 3.48Å; C198-D238 PolarHBondContact N-O 2.95Å; C198-C240 VanDerWaalsContact CB-CA 3.48Å; C198-C240 HydrophobicContact CB-CB 3.83Å; C198-C240 WeakPolarHBondContact CB-SG 3.14Å; C198-C240 WeakPolarHBondContact SG-CA 3.22Å; C198-C240 WeakPolarHBondContact SG-CB 3.18Å; C198-C240 CovalentContact SG-SG 2.03Å; C198-C240 PolarHBondContact SG-SG 2.94Å
199E94Very high93.2Very high114 Ų11472.1 Ų72.153%0.53339%0.386SS..EExtended strand (participates in β ladder)trans-102.7134.7171.5-58.6-172.1176.200110.2H197 L230 H231H197-E199 PolarHBondContact O-N 2.85Å; E199-L230 PolarHBondContact O-N 2.78Å; E199-H231 HydrophobicContact CB-CB 4.03Å; E199-H231 HydrophobicContact CG-CB 4.3Å; E199-H231 PolarHBondContact N-O 3.41Å; E199-H231 PolarHBondContact O-N 3.47Å; E199-H231 VanDerWaalsContact O-N 3.13Å; E199-H231 IonicContact OE2-CD2 3.68Å; E199-H231 PolarHBondContact OE2-CD2 3.27Å
200V96.1Very high93.2Very high34 Ų3472.5 Ų72.521%0.20639%0.392CS..EExtended strand (participates in β ladder)trans-123.3143.4-178-68.80000110R227 Q228 I229 P241 V243V200-R227 VanDerWaalsContact CG2-NH1 3.32Å; V200-Q228 WeakPolarHBondContact CA-O 3Å; V200-I229 HydrophobicContact CG1-CG1 4.11Å; V200-P241 HydrophobicContact CG1-CG 4.15Å; V200-P241 HydrophobicContact CG2-CG 3.74Å; V200-V243 HydrophobicContact CG1-CG1 4.48Å
201G94.9Very high92.7Very high16 Ų1677.5 Ų77.517%0.16541%0.407CS..  trans-79-178.5-177.600000113.7R227 Q228G201-R227 WeakPolarHBondContact O-CB 3.36Å; G201-R227 WeakPolarHBondContact O-CD 3.44Å; G201-Q228 PolarHBondContact N-O 3.3Å
202E96.5Very high91.9Very high174 Ų17478.8 Ų78.881%0.81341%0.411SS*.PPolyproline II helixtrans-58.8151.2173.2-71.4-58150.200112.6R227E202-R227 WeakPolarHBondContact O-CB 3.44Å
203W96.7Very high90.6Very high59 Ų5987.2 Ų87.222%0.22345%0.45CS..PPolyproline II helixtrans-71.4138.3175.7-73.8102.8000111.5R225 T226 R227 H242 E245W203-R225 HydrophobicContact CD2-CG 4.37Å; W203-R225 HydrophobicContact CE3-CB 4.39Å; W203-R225 HydrophobicContact CE3-CG 3.7Å; W203-R225 HydrophobicContact CZ3-CG 4.09Å; W203-T226 VanDerWaalsContact CE3-C 3.5Å; W203-R227 HydrophobicContact CD2-CB 4.21Å; W203-R227 HydrophobicContact CD2-CG 4.18Å; W203-R227 HydrophobicContact CE3-CB 3.96Å; W203-R227 HydrophobicContact CE3-CG 3.95Å; W203-R227 HydrophobicContact CH2-CG 4.01Å; W203-R227 HydrophobicContact CZ2-CG 4.24Å; W203-R227 VanDerWaalsContact CZ2-NE 3.28Å; W203-R227 HydrophobicContact CZ3-CB 4.31Å; W203-R227 HydrophobicContact CZ3-CG 3.86Å; W203-H242 AromaticContact CH2-CD2 3.69Å; W203-H242 AromaticContact CH2-NE2 3.9Å; W203-H242 AromaticContact CZ2-CD2 3.92Å; W203-H242 AromaticContact CZ2-NE2 3.66Å; W203-E245 HydrophobicContact CH2-CB 4.07Å; W203-E245 HydrophobicContact CZ3-CB 4.21Å
204T96.1Very high89.2Confident65 Ų6591.2 Ų91.240%0.39947%0.473SS..PPolyproline II helixtrans-60.1159.1164.2670000110.5T226T204-T226 WeakPolarHBondContact CG2-O 3.44Å; T204-T226 PolarHBondContact N-O 2.91Å; T204-T226 PolarHBondContact OG1-N 2.79Å; T204-T226 VanDerWaalsContact OG1-N 3.12Å; T204-T226 PolarHBondContact OG1-O 3.27Å
205S95.2Very high87.5Confident106 Ų10690.6 Ų90.674%0.74147%0.468SS*.PPolyproline II helixtrans-54.4154.5159.749.80000110.8G207S205-G207 PolarHBondContact O-N 3.18Å
206W93.9Very high85.8Confident66 Ų6695 Ų9525%0.2550%0.498CS..PPolyproline II helixtrans-63.4129.9175.1-72.196.7000110.2E223 R225 E245 R247W206-E223 HydrophobicContact CB-CB 4.43Å; W206-E223 HydrophobicContact CD2-CB 4.48Å; W206-E223 HydrophobicContact CE3-CB 3.75Å; W206-E223 HydrophobicContact CZ3-CB 4.47Å; W206-E223 WeakPolarHBondContact CZ3-O 3.36Å; W206-R225 HydrophobicContact CD2-CB 4.16Å; W206-R225 HydrophobicContact CD2-CG 4.13Å; W206-R225 HydrophobicContact CE3-CB 3.95Å; W206-R225 HydrophobicContact CE3-CG 3.92Å; W206-R225 HydrophobicContact CH2-CG 3.77Å; W206-R225 HydrophobicContact CZ2-CG 3.98Å; W206-R225 HydrophobicContact CZ3-CB 4.22Å; W206-R225 HydrophobicContact CZ3-CG 3.74Å; W206-E245 HydrophobicContact CH2-CB 4.3Å; W206-E245 HydrophobicContact CH2-CG 4.07Å; W206-R247 HydrophobicContact CE3-CB 4.31Å; W206-R247 HydrophobicContact CH2-CB 3.47Å; W206-R247 VanDerWaalsContact CH2-CB 3.47Å; W206-R247 HydrophobicContact CH2-CG 4.48Å; W206-R247 HydrophobicContact CZ2-CB 4.15Å; W206-R247 HydrophobicContact CZ3-CB 3.56Å
207G90.6Very high84.1Confident38 Ų3898 Ų9839%0.39252%0.517SS..  trans-65.4176.8173.800000112.8S205 E223 T224S205-G207 PolarHBondContact O-N 3.18Å; G207-E223 WeakPolarHBondContact O-CG 3.32Å; G207-T224 PolarHBondContact N-O 2.79Å
208Q90.9Very high82.6Confident180 Ų18099 Ų9984%0.84152%0.521SS*.  trans-67.2144.6178.8-63.3-173.8100112V210Q208-V210 WeakPolarHBondContact O-CG2 3.35Å; Q208-V210 PolarHBondContact O-N 3.15Å; Q208-V210 VanDerWaalsContact O-N 3.12Å
209C89.1Confident81.3Confident39 Ų39106.3 Ų106.326%0.26455%0.546SS..  trans-67.1103.8179.9-1790000112.5E223 C249C209-E223 HydrophobicContact CB-CG 3.98Å; C209-C249 WeakPolarHBondContact CA-SG 3.44Å; C209-C249 HydrophobicContact CB-CB 3.81Å; C209-C249 WeakPolarHBondContact CB-SG 3.08Å; C209-C249 WeakPolarHBondContact SG-CB 3.04Å; C209-C249 CovalentContact SG-SG 2.02Å; C209-C249 PolarHBondContact SG-SG 3.34Å
210V88.6Confident80.5Confident102 Ų102107.7 Ų107.762%0.61855%0.547SS*.EExtended strand (participates in β ladder)trans-85.8128.2-178.3-175.30000110.9Q208 G221 E222Q208-V210 WeakPolarHBondContact O-CG2 3.35Å; Q208-V210 PolarHBondContact O-N 3.15Å; Q208-V210 VanDerWaalsContact O-N 3.12Å; V210-G221 CarbonylContact O-C 3.54Å; V210-G221 WeakPolarHBondContact O-CA 3.44Å; V210-E222 PolarHBondContact N-O 2.9Å; V210-E222 PolarHBondContact O-N 3.44Å
211R82.2Confident80Confident176 Ų176106.2 Ų106.266%0.66454%0.538SS*.EExtended strand (participates in β ladder)trans-77.3126.8-178.1-168.7-175.473.8153.72.6112T251R211-T251 HydrophobicContact CB-CG2 4.06Å; R211-T251 HydrophobicContact CG-CG2 4.3Å
212K78.4Confident79.9Confident105 Ų105107.8 Ų107.846%0.45754%0.541SS..PPolyproline II helixtrans-69.6135.2167.9-75.4-168.3163.2170.20111N214 E222K212-N214 PolarHBondContact O-N 3.37Å; K212-E222 WeakPolarHBondContact CE-OE1 3.02Å; K212-E222 WeakPolarHBondContact CE-OE2 3.39Å; K212-E222 IonicContact NZ-OE1 3.2Å; K212-E222 PolarHBondContact NZ-OE1 2.85Å; K212-E222 IonicContact NZ-OE2 3.62Å; K212-E222 PolarHBondContact NZ-OE2 3.22Å
213Q68Low79.7Confident185 Ų185101.4 Ų101.486%0.86451%0.511SS*.THydrogen-bonded Turntrans-69.8-17.2-171.7-66.3-177.6-5.800114.1
214N63Low79.5Confident162 Ų162101.7 Ų101.787%0.86652%0.519SS*.THydrogen-bonded Turntrans-110.318.9-163.5-131.81.1000115.5K212K212-N214 PolarHBondContact O-N 3.37Å
215T55.8Low79.5Confident63 Ų63101.4 Ų101.439%0.38751%0.511SS..  trans-13096.3176.558.20000112H218T215-H218 PolarHBondContact OG1-O 2.04Å
216T56.2Low79.6Confident145 Ų14599 Ų9989%0.8949%0.492SS*.SBendtrans-78.8-23.2179.245.90000114
217V55.8Low79.7Confident126 Ų12697.9 Ų97.976%0.76449%0.488SS*.SBendtrans-98.5-27.1-174.4-176.40000113.3
218H59.9Low79.9Confident104 Ų104102.6 Ų102.648%0.48150%0.5SS..SBendtrans-114.9126-176.5-7385.4000111.4T215 R220T215-H218 PolarHBondContact OG1-O 2.04Å; H218-R220 HydrophobicContact CB-CG 4.24Å; H218-R220 PolarHBondContact O-N 2.88Å
219R65.2Low80.2Confident173 Ų17396.3 Ų96.365%0.65347%0.472SS*.  trans-74.465.4176-61.4-171.7-166.8170.57.3112.1A250R219-A250 WeakPolarHBondContact O-CA 3.44Å
220R76.6Confident80.4Confident144 Ų14499.5 Ų99.554%0.54349%0.485SS..EExtended strand (participates in β ladder)trans-106.6128.7178.2-65.5178.8-171.9173.85.2110.5H218H218-R220 HydrophobicContact CB-CG 4.24Å; H218-R220 PolarHBondContact O-N 2.88Å
221G86.6Confident80.6Confident2 Ų299.5 Ų99.52%0.02148%0.478CS..EExtended strand (participates in β ladder)trans-125.7-175.8164.800000110.5V210 K248 C249V210-G221 CarbonylContact O-C 3.54Å; V210-G221 WeakPolarHBondContact O-CA 3.44Å; G221-K248 WeakPolarHBondContact O-CA 3Å; G221-C249 PolarHBondContact N-O 2.79Å; G221-C249 PolarHBondContact O-N 2.04Å; G221-C249 PolarHBondContact O-SG 2.72Å; G221-C249 VanDerWaalsContact O-SG 3.37Å
222E91.6Very high81Confident49 Ų4998.2 Ų98.223%0.22948%0.478CS..EExtended strand (participates in β ladder)trans-127.4137.4171.2-82.5167.9-173.400111.3V210 K212 I246 R247 C249V210-E222 PolarHBondContact N-O 2.9Å; V210-E222 PolarHBondContact O-N 3.44Å; K212-E222 WeakPolarHBondContact CE-OE1 3.02Å; K212-E222 WeakPolarHBondContact CE-OE2 3.39Å; K212-E222 IonicContact NZ-OE1 3.2Å; K212-E222 PolarHBondContact NZ-OE1 2.85Å; K212-E222 IonicContact NZ-OE2 3.62Å; K212-E222 PolarHBondContact NZ-OE2 3.22Å; E222-I246 HydrophobicContact CB-CG2 3.68Å; E222-I246 HydrophobicContact CG-CG2 3.72Å; E222-R247 CarbonylContact C-O 3.41Å; E222-R247 WeakPolarHBondContact CA-O 3.35Å; E222-C249 VanDerWaalsContact C-SG 3.52Å; E222-C249 PolarHBondContact N-SG 3.29Å
223E92.4Very high81.7Confident40 Ų4095.2 Ų95.219%0.18747%0.469CS..EExtended strand (participates in β ladder)trans-102138.2167.3-69.5162.8-178.200107.3W206 G207 C209 I246 R247 C249W206-E223 HydrophobicContact CB-CB 4.43Å; W206-E223 HydrophobicContact CD2-CB 4.48Å; W206-E223 HydrophobicContact CE3-CB 3.75Å; W206-E223 HydrophobicContact CZ3-CB 4.47Å; W206-E223 WeakPolarHBondContact CZ3-O 3.36Å; G207-E223 WeakPolarHBondContact O-CG 3.32Å; C209-E223 HydrophobicContact CB-CG 3.98Å; E223-I246 WeakPolarHBondContact O-CA 3.24Å; E223-R247 PolarHBondContact N-O 2.95Å; E223-R247 PolarHBondContact O-N 2.87Å; E223-R247 IonicContact OE2-CZ 3.77Å; E223-R247 IonicContact OE2-NE 2.71Å; E223-R247 IonicContact OE2-NH2 2.7Å; E223-R247 PolarHBondContact OE2-NH2 2.87Å; E223-C249 VanDerWaalsContact CD-CB 3.47Å; E223-C249 HydrophobicContact CG-CB 3.67Å; E223-C249 VanDerWaalsContact OE1-CB 3.26Å; E223-C249 WeakPolarHBondContact OE1-CB 3.31Å
224T94.1Very high82.7Confident65 Ų6587.6 Ų87.640%0.39944%0.436SS..EExtended strand (participates in β ladder)trans-113.9139.4173.6-53.70000108.9G207 T226 E245 I246G207-T224 PolarHBondContact N-O 2.79Å; T224-T226 HydrophobicContact CG2-CG2 4.45Å; T224-E245 WeakPolarHBondContact CA-O 3.43Å; T224-I246 HydrophobicContact CG2-CG1 4.21Å
225R96.1Very high83.7Confident59 Ų5985 Ų8522%0.22344%0.437CS..EExtended strand (participates in β ladder)trans-120.9154.9162.765.5175.3-178.8164.5-1.3109.9W203 W206 S244 E245W203-R225 HydrophobicContact CD2-CG 4.37Å; W203-R225 HydrophobicContact CE3-CB 4.39Å; W203-R225 HydrophobicContact CE3-CG 3.7Å; W203-R225 HydrophobicContact CZ3-CG 4.09Å; W206-R225 HydrophobicContact CD2-CB 4.16Å; W206-R225 HydrophobicContact CD2-CG 4.13Å; W206-R225 HydrophobicContact CE3-CB 3.95Å; W206-R225 HydrophobicContact CE3-CG 3.92Å; W206-R225 HydrophobicContact CH2-CG 3.77Å; W206-R225 HydrophobicContact CZ2-CG 3.98Å; W206-R225 HydrophobicContact CZ3-CB 4.22Å; W206-R225 HydrophobicContact CZ3-CG 3.74Å; R225-S244 WeakPolarHBondContact O-CA 3.03Å; R225-E245 HydrophobicContact CG-CB 4.06Å; R225-E245 IonicContact CZ-OE2 3.41Å; R225-E245 PolarHBondContact N-O 2.78Å; R225-E245 IonicContact NE-OE2 3.85Å; R225-E245 PolarHBondContact NE-OE2 2.96Å; R225-E245 IonicContact NH2-OE2 2.72Å; R225-E245 PolarHBondContact NH2-OE2 2.86Å; R225-E245 PolarHBondContact O-N 2.83Å
226T96.2Very high85.1Confident57 Ų5785.3 Ų85.335%0.3544%0.442SS..EExtended strand (participates in β ladder)trans-131.7165179.255.30000110.7W203 T204 T224 V243W203-T226 VanDerWaalsContact CE3-C 3.5Å; T204-T226 WeakPolarHBondContact CG2-O 3.44Å; T204-T226 PolarHBondContact N-O 2.91Å; T204-T226 PolarHBondContact OG1-N 2.79Å; T204-T226 VanDerWaalsContact OG1-N 3.12Å; T204-T226 PolarHBondContact OG1-O 3.27Å; T224-T226 HydrophobicContact CG2-CG2 4.45Å; T226-V243 CarbonylContact C-O 3.57Å; T226-V243 WeakPolarHBondContact CA-O 3.06Å
227R96.6Very high86.6Confident42 Ų4279.1 Ų79.116%0.15841%0.407CS..  trans-138.6151.9167.457.9-179.5170.5178.5-4109.5V200 G201 E202 W203 H242 V243V200-R227 VanDerWaalsContact CG2-NH1 3.32Å; G201-R227 WeakPolarHBondContact O-CB 3.36Å; G201-R227 WeakPolarHBondContact O-CD 3.44Å; E202-R227 WeakPolarHBondContact O-CB 3.44Å; W203-R227 HydrophobicContact CD2-CB 4.21Å; W203-R227 HydrophobicContact CD2-CG 4.18Å; W203-R227 HydrophobicContact CE3-CB 3.96Å; W203-R227 HydrophobicContact CE3-CG 3.95Å; W203-R227 HydrophobicContact CH2-CG 4.01Å; W203-R227 HydrophobicContact CZ2-CG 4.24Å; W203-R227 VanDerWaalsContact CZ2-NE 3.28Å; W203-R227 HydrophobicContact CZ3-CB 4.31Å; W203-R227 HydrophobicContact CZ3-CG 3.86Å; R227-H242 PolarHBondContact NE-O 3.34Å; R227-H242 PolarHBondContact NH2-O 2.04Å; R227-V243 PolarHBondContact N-O 3.38Å
228Q95.5Very high88.2Confident137 Ų13778 Ų7864%0.6440%0.397SS*.  trans-84.4151.9177.6-59.8-60.1-42.300110.4V200 G201V200-Q228 WeakPolarHBondContact CA-O 3Å; G201-Q228 PolarHBondContact N-O 3.3Å
229I96.3Very high89.8Confident48 Ų4878.1 Ų78.125%0.24641%0.407CS..EExtended strand (participates in β ladder)trans-81.8127.6164.3-63.8162.5000106.6V200 H231 F232 C240 V243V200-I229 HydrophobicContact CG1-CG1 4.11Å; I229-H231 WeakPolarHBondContact CG2-O 3.3Å; I229-F232 HydrophobicContact CB-CE1 4.22Å; I229-F232 HydrophobicContact CB-CZ 4.23Å; I229-F232 HydrophobicContact CD1-CD1 4.29Å; I229-F232 HydrophobicContact CD1-CE1 3.69Å; I229-F232 HydrophobicContact CD1-CZ 4.33Å; I229-F232 HydrophobicContact CG2-CD1 3.89Å; I229-F232 HydrophobicContact CG2-CD2 4.24Å; I229-F232 HydrophobicContact CG2-CE1 3.94Å; I229-F232 HydrophobicContact CG2-CE2 4.28Å; I229-F232 HydrophobicContact CG2-CG 4.05Å; I229-F232 HydrophobicContact CG2-CZ 4.14Å; I229-C240 HydrophobicContact CD1-CB 4.23Å; I229-C240 HydrophobicContact CG1-CB 4.45Å; I229-V243 HydrophobicContact CD1-CG1 4.14Å; I229-V243 HydrophobicContact CG1-CG1 3.84Å
230L94.1Very high91.1Very high105 Ų10571.9 Ų71.955%0.5539%0.39SS..EExtended strand (participates in β ladder)trans-91.9-47.2178-61.4179.2000110.5E199E199-L230 PolarHBondContact O-N 2.78Å
231H91.9Very high91.9Very high103 Ų10367.7 Ų67.748%0.47738%0.381SS..EExtended strand (participates in β ladder)trans-124.4124.6174-67.6-81000109.2V196 C198 E199 I229V196-H231 HydrophobicContact CG1-CB 4.36Å; C198-H231 WeakPolarHBondContact CA-O 3.01Å; C198-H231 PolarHBondContact SG-O 3.07Å; C198-H231 VanDerWaalsContact SG-O 3.4Å; E199-H231 HydrophobicContact CB-CB 4.03Å; E199-H231 HydrophobicContact CG-CB 4.3Å; E199-H231 PolarHBondContact N-O 3.41Å; E199-H231 PolarHBondContact O-N 3.47Å; E199-H231 VanDerWaalsContact O-N 3.13Å; E199-H231 IonicContact OE2-CD2 3.68Å; E199-H231 PolarHBondContact OE2-CD2 3.27Å; I229-H231 WeakPolarHBondContact CG2-O 3.3Å
232F90.9Very high92.2Very high148 Ų14873 Ų7365%0.64941%0.405SS*.PPolyproline II helixtrans-75.1144.8171.6-72.2-83.4000109.9V196 I229V196-F232 WeakPolarHBondContact CG1-O 3.47Å; I229-F232 HydrophobicContact CB-CE1 4.22Å; I229-F232 HydrophobicContact CB-CZ 4.23Å; I229-F232 HydrophobicContact CD1-CD1 4.29Å; I229-F232 HydrophobicContact CD1-CE1 3.69Å; I229-F232 HydrophobicContact CD1-CZ 4.33Å; I229-F232 HydrophobicContact CG2-CD1 3.89Å; I229-F232 HydrophobicContact CG2-CD2 4.24Å; I229-F232 HydrophobicContact CG2-CE1 3.94Å; I229-F232 HydrophobicContact CG2-CE2 4.28Å; I229-F232 HydrophobicContact CG2-CG 4.05Å; I229-F232 HydrophobicContact CG2-CZ 4.14Å
233P92.7Very high92.4Very high43 Ų4373.3 Ų73.328%0.27941%0.41SS..PPolyproline II helixtrans-71149.9179.230-31.5000110.9V196 C198 D238V196-P233 CarbonylContact O-C 3.58Å; V196-P233 VanDerWaalsContact O-CA 3.27Å; V196-P233 WeakPolarHBondContact O-CA 3.36Å; C198-P233 HydrophobicContact CB-CB 4.02Å; C198-P233 HydrophobicContact CB-CG 3.95Å; P233-D238 WeakPolarHBondContact CB-O 3.25Å
234S88.9Confident92.5Very high25 Ų2574.5 Ų74.518%0.17542%0.423CS..PPolyproline II helixtrans-70.8173.7167.177.30000111E184 V196 S236 G237E184-S234 WeakPolarHBondContact OE1-CB 3.16Å; E184-S234 PolarHBondContact OE1-OG 2.03Å; E184-S234 PolarHBondContact OE2-OG 2.63Å; E184-S234 VanDerWaalsContact OE2-OG 3.11Å; V196-S234 PolarHBondContact N-OG 2.82Å; V196-S234 PolarHBondContact O-N 3.12Å; V196-S234 PolarHBondContact O-OG 2.79Å; S234-S236 PolarHBondContact O-N 3.19Å; S234-G237 PolarHBondContact O-N 2.88Å; S234-G237 PolarHBondContact OG-N 3.09Å
235A85.3Confident92.6Very high106 Ų10674.5 Ų74.588%0.87642%0.418SS*.THydrogen-bonded Turntrans-59.4-31.3-177.200000113
236S84.7Confident92.5Very high70 Ų7076.4 Ų76.449%0.4943%0.432SS..THydrogen-bonded Turntrans-99.61.9177-37.20000114E184 S234E184-S236 WeakPolarHBondContact OE2-CB 3.23Å; E184-S236 PolarHBondContact OE2-N 2.81Å; E184-S236 PolarHBondContact OE2-OG 2.85Å; S234-S236 PolarHBondContact O-N 3.19Å
237G87.3Confident92.3Very high16 Ų1679.1 Ų79.117%0.16544%0.436CS..SBendtrans-84.1161-173.500000114.1V196 S234V196-G237 WeakPolarHBondContact O-CA 3.44Å; S234-G237 PolarHBondContact O-N 2.88Å; S234-G237 PolarHBondContact OG-N 3.09Å
238D89.4Confident92Very high102 Ų10284.8 Ų84.855%0.54546%0.462SS..PPolyproline II helixtrans-65.2131.8178.1-71.3-57.9000111.6H197 C198 P233H197-D238 HydrophobicContact CB-CB 4.45Å; H197-D238 IonicContact CE1-OD2 2.66Å; H197-D238 PolarHBondContact CE1-OD2 3.44Å; H197-D238 IonicContact CG-OD2 3.97Å; H197-D238 IonicContact ND1-OD2 2.77Å; H197-D238 PolarHBondContact ND1-OD2 2.83Å; C198-D238 WeakPolarHBondContact CB-O 3.48Å; C198-D238 PolarHBondContact N-O 2.95Å; P233-D238 WeakPolarHBondContact CB-O 3.25Å
239P92.6Very high91.6Very high107 Ų10779.2 Ų79.270%0.69544%0.437SS*.PPolyproline II helixtrans-66.7151.1-177.728.7-35.8000111.6
240C93.8Very high91Very high42 Ų4280.8 Ų80.828%0.28446%0.458SS..PPolyproline II helixtrans-58.3130-178.6-59.90000112.5C198 I229C198-C240 VanDerWaalsContact CB-CA 3.48Å; C198-C240 HydrophobicContact CB-CB 3.83Å; C198-C240 WeakPolarHBondContact CB-SG 3.14Å; C198-C240 WeakPolarHBondContact SG-CA 3.22Å; C198-C240 WeakPolarHBondContact SG-CB 3.18Å; C198-C240 CovalentContact SG-SG 2.03Å; C198-C240 PolarHBondContact SG-SG 2.94Å; I229-C240 HydrophobicContact CD1-CB 4.23Å; I229-C240 HydrophobicContact CG1-CB 4.45Å
241P93.5Very high90.1Very high56 Ų5677.1 Ų77.136%0.36444%0.44SS..PPolyproline II helixtrans-65.3160.2169.232.1-37.2000109.7V200 V243V200-P241 HydrophobicContact CG1-CG 4.15Å; V200-P241 HydrophobicContact CG2-CG 3.74Å; P241-V243 PolarHBondContact O-N 3.03Å
242H92.4Very high88.9Confident113 Ų11382 Ų8252%0.52346%0.459SS..PPolyproline II helixtrans-48.9131.8-175.165.8-84.1000113.1W203 R227W203-H242 AromaticContact CH2-CD2 3.69Å; W203-H242 AromaticContact CH2-NE2 3.9Å; W203-H242 AromaticContact CZ2-CD2 3.92Å; W203-H242 AromaticContact CZ2-NE2 3.66Å; R227-H242 PolarHBondContact NE-O 3.34Å; R227-H242 PolarHBondContact NH2-O 2.04Å
243V95.9Very high87.4Confident55 Ų5583.1 Ų83.133%0.33346%0.464SS..SBendtrans-100-5.5-174.8-65.20000113.6V200 T226 R227 I229 P241V200-V243 HydrophobicContact CG1-CG1 4.48Å; T226-V243 CarbonylContact C-O 3.57Å; T226-V243 WeakPolarHBondContact CA-O 3.06Å; R227-V243 PolarHBondContact N-O 3.38Å; I229-V243 HydrophobicContact CD1-CG1 4.14Å; I229-V243 HydrophobicContact CG1-CG1 3.84Å; P241-V243 PolarHBondContact O-N 3.03Å
244S94.6Very high85.5Confident66 Ų6691 Ų9146%0.46249%0.494SS..EExtended strand (participates in β ladder)trans-135.1141.1176.558.30000110.4R225R225-S244 WeakPolarHBondContact O-CA 3.03Å
245E96.1Very high83.8Confident65 Ų6598.2 Ų98.230%0.30453%0.525SS..EExtended strand (participates in β ladder)trans-133.7139.4175.7-167.6-169.5172.600109.5W203 W206 T224 R225W203-E245 HydrophobicContact CH2-CB 4.07Å; W203-E245 HydrophobicContact CZ3-CB 4.21Å; W206-E245 HydrophobicContact CH2-CB 4.3Å; W206-E245 HydrophobicContact CH2-CG 4.07Å; T224-E245 WeakPolarHBondContact CA-O 3.43Å; R225-E245 HydrophobicContact CG-CB 4.06Å; R225-E245 IonicContact CZ-OE2 3.41Å; R225-E245 PolarHBondContact N-O 2.78Å; R225-E245 IonicContact NE-OE2 3.85Å; R225-E245 PolarHBondContact NE-OE2 2.96Å; R225-E245 IonicContact NH2-OE2 2.72Å; R225-E245 PolarHBondContact NH2-OE2 2.86Å; R225-E245 PolarHBondContact O-N 2.83Å
246I93.2Very high82Confident99 Ų99103.1 Ų103.151%0.50853%0.526SS..EExtended strand (participates in β ladder)trans-121.7127.5-177-55177.4000109.1E222 E223 T224E222-I246 HydrophobicContact CB-CG2 3.68Å; E222-I246 HydrophobicContact CG-CG2 3.72Å; E223-I246 WeakPolarHBondContact O-CA 3.24Å; T224-I246 HydrophobicContact CG2-CG1 4.21Å
247R92.3Very high80.2Confident113 Ų113105.1 Ų105.143%0.42654%0.541SS..EExtended strand (participates in β ladder)trans-127.4145-180-172.8-175.166-172.2-4.6111.3W206 E222 E223W206-R247 HydrophobicContact CE3-CB 4.31Å; W206-R247 HydrophobicContact CH2-CB 3.47Å; W206-R247 VanDerWaalsContact CH2-CB 3.47Å; W206-R247 HydrophobicContact CH2-CG 4.48Å; W206-R247 HydrophobicContact CZ2-CB 4.15Å; W206-R247 HydrophobicContact CZ3-CB 3.56Å; E222-R247 CarbonylContact C-O 3.41Å; E222-R247 WeakPolarHBondContact CA-O 3.35Å; E223-R247 PolarHBondContact N-O 2.95Å; E223-R247 PolarHBondContact O-N 2.87Å; E223-R247 IonicContact OE2-CZ 3.77Å; E223-R247 IonicContact OE2-NE 2.71Å; E223-R247 IonicContact OE2-NH2 2.7Å; E223-R247 PolarHBondContact OE2-NH2 2.87Å
248K90.8Very high78.3Confident162 Ų162114.2 Ų114.270%0.70457%0.57SS**EExtended strand (participates in β ladder)trans-69.9138.1176.3-64.9168.9-174.8163.90111.1G221G221-K248 WeakPolarHBondContact O-CA 3Å
249C86.7Confident76.3Confident19 Ų19115 Ų11513%0.12858%0.583CS.*EExtended strand (participates in β ladder)trans-136.3166.9-179.961.20000111.4C209 G221 E222 E223C209-C249 WeakPolarHBondContact CA-SG 3.44Å; C209-C249 HydrophobicContact CB-CB 3.81Å; C209-C249 WeakPolarHBondContact CB-SG 3.08Å; C209-C249 WeakPolarHBondContact SG-CB 3.04Å; C209-C249 CovalentContact SG-SG 2.02Å; C209-C249 PolarHBondContact SG-SG 3.34Å; G221-C249 PolarHBondContact N-O 2.79Å; G221-C249 PolarHBondContact O-N 2.04Å; G221-C249 PolarHBondContact O-SG 2.72Å; G221-C249 VanDerWaalsContact O-SG 3.37Å; E222-C249 VanDerWaalsContact C-SG 3.52Å; E222-C249 PolarHBondContact N-SG 3.29Å; E223-C249 VanDerWaalsContact CD-CB 3.47Å; E223-C249 HydrophobicContact CG-CB 3.67Å; E223-C249 VanDerWaalsContact OE1-CB 3.26Å; E223-C249 WeakPolarHBondContact OE1-CB 3.31Å
250A83.4Confident73.9Confident82 Ų82120.5 Ų120.568%0.67860%0.6SS**EExtended strand (participates in β ladder)trans-105.6120.8178.900000111.6R219R219-A250 WeakPolarHBondContact O-CA 3.44Å
251T76.2Confident72.9Confident27 Ų27124.4 Ų124.417%0.16662%0.616CS.*PPolyproline II helixtrans-79.2129.7-176.952.30000112.1R211R211-T251 HydrophobicContact CB-CG2 4.06Å; R211-T251 HydrophobicContact CG-CG2 4.3Å
252K66.8Low71.9Confident205 Ų205128 Ų12889%0.89163%0.629SS**PPolyproline II helixtrans-75145.2174.4-69.1-176.7-179.4179.10110.9K254K252-K254 PolarHBondContact O-N 2.9Å
253K58.4Low70.7Confident173 Ų173128.8 Ų128.875%0.75264%0.635SS**PPolyproline II helixtrans-73.9120.2176.9-168.1180-175.1-176.60108.5Q255K253-Q255 PolarHBondContact O-N 3.43Å
254K54.4Low69.2Low207 Ų207133.2 Ų133.290%0.965%0.652SS**  trans-64.2106.9170.6-164175.9-172.5179.60107.5K252 K256K252-K254 PolarHBondContact O-N 2.9Å; K254-K256 PolarHBondContact O-N 3.05Å
255Q51.9Low67.6Low178 Ų178137.4 Ų137.483%0.83266%0.664SS**  trans-62.6130.5170.5-85175.6-44.100107.6K253 S257K253-Q255 PolarHBondContact O-N 3.43Å; Q255-S257 PolarHBondContact O-N 3.31Å; Q255-S257 VanDerWaalsContact O-N 3.14Å
256K48Very low65.8Low208 Ų208142.2 Ų142.290%0.90469%0.688SS**  trans-64.9112.1167.2-122.9-176.8177.5-173.20105.4K254 R258K254-K256 PolarHBondContact O-N 3.05Å; K256-R258 PolarHBondContact O-N 2.99Å
257S47.1Very low63.8Low113 Ų113145.3 Ų145.379%0.7970%0.701SS**  trans-59.7109.1165.247.40000106.8Q255 S259Q255-S257 PolarHBondContact O-N 3.31Å; Q255-S257 VanDerWaalsContact O-N 3.14Å; S257-S259 PolarHBondContact O-N 3.41Å
258R47.3Very low61.6Low206 Ų206147.8 Ų147.878%0.77772%0.723SS**  trans-76107.9173-166.3177.3177.5161.31.4105.4K256 E260K256-R258 PolarHBondContact O-N 2.99Å; R258-E260 HydrophobicContact CG-CG 4.5Å; R258-E260 IonicContact CZ-OE1 3.35Å; R258-E260 IonicContact NE-OE1 3.14Å; R258-E260 PolarHBondContact NE-OE1 2.76Å; R258-E260 VanDerWaalsContact NE-OE1 3.14Å; R258-E260 IonicContact NH2-OE1 3.64Å; R258-E260 PolarHBondContact O-N 2.74Å
259S47.9Very low59.2Low119 Ų119146.6 Ų146.683%0.83272%0.724SS**  trans-72.8112.717149.20000108.1S257S257-S259 PolarHBondContact O-N 3.41Å
260E41.9Very low56.7Low222 Ų222158.2 Ų158.2100%1.03778%0.778SS**  trans-123.30164.2-75172.8166.200106.6R258R258-E260 HydrophobicContact CG-CG 4.5Å; R258-E260 IonicContact CZ-OE1 3.35Å; R258-E260 IonicContact NE-OE1 3.14Å; R258-E260 PolarHBondContact NE-OE1 2.76Å; R258-E260 VanDerWaalsContact NE-OE1 3.14Å; R258-E260 IonicContact NH2-OE1 3.64Å; R258-E260 PolarHBondContact O-N 2.74Å

Retrieved 260 of 260 residues in 346.9 ms (Link to these results)