A0A087XJ23_POEFO Loading...

Adipose secreted signaling protein

AlphaFold DB (A0A3B3TQN5), UniProt , Accession A0A087XJ23, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 174 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
1M39.9Very low39.3Very low247 Ų247160.3 Ų160.3100%1.21789%0.887SS**  0151.40-63.2-176.3-177.300108.6
2A36.1Very low39.4Very low100 Ų100152.1 Ų152.183%0.82687%0.867SS**  trans-75.5168.5163.700000109.4
3A34.8Very low39.6Very low100 Ų100145.8 Ų145.883%0.82686%0.855SS**  cis-139.9-161.66.700000108.6
4A38.5Very low40.4Very low97 Ų97143.5 Ų143.580%0.80284%0.844SS**  cis-153.4-158.58.900000111.2
5K43.8Very low41Very low194 Ų194149.7 Ų149.784%0.84385%0.847SS**  trans-108146.5176-63165.9178.9168.10111.7
6K37.1Very low41.4Very low215 Ų215151.3 Ų151.394%0.93584%0.842SS**  trans-137.5117.3136.3-73.3-165.5178.1-179.50109.7
7R39.3Very low41.5Very low240 Ų240148.8 Ų148.891%0.90683%0.834SS**  trans-87.2130.7167.7-78.2-179.2165.4-168.6-5107.8
8C36.2Very low42Very low138 Ų138151.8 Ų151.893%0.93284%0.84SS**  trans-88.8120.5166.3-161.20000108.5
9A40.4Very low42Very low90 Ų90153 Ų15374%0.74484%0.839SS**  trans-111.9104.7-176.400000110.7V11A9-V11 PolarHBondContact O-N 2.91Å
10K44.8Very low42.2Very low201 Ų201153.4 Ų153.487%0.87484%0.839SS**  trans28.791.6146.9-160.7159.6-177.5170.90116.6G12K10-G12 PolarHBondContact O-N 3.24Å
11V41.9Very low42.4Very low141 Ų141151.9 Ų151.986%0.85584%0.837SS**  trans-58121.6157.6164.10000108.4A9 G13A9-V11 PolarHBondContact O-N 2.91Å; V11-G13 PolarHBondContact O-N 3.2Å
12G39.6Very low42.5Very low62 Ų62145.2 Ų145.264%0.63981%0.814SS**  trans-75.5116.616900000109.4K10 V14K10-G12 PolarHBondContact O-N 3.24Å; G12-V14 PolarHBondContact O-N 3.38Å
13G42.7Very low42.9Very low70 Ų70147.1 Ų147.172%0.72282%0.816SS**  trans-71.2114.9169.900000109.8V11 R15V11-G13 PolarHBondContact O-N 3.2Å; G13-R15 PolarHBondContact O-N 3.27Å
14V50Low43.5Very low114 Ų114145.2 Ų145.269%0.69181%0.806SS**  trans-71.4109.3168.3179.70000107.4G12 F16G12-V14 PolarHBondContact O-N 3.38Å; V14-F16 HydrophobicContact CB-CE2 4.46Å; V14-F16 HydrophobicContact CG1-CD2 4.21Å; V14-F16 HydrophobicContact CG1-CE1 4.27Å; V14-F16 HydrophobicContact CG1-CE2 3.8Å; V14-F16 HydrophobicContact CG1-CZ 3.83Å
15R49.9Very low43.8Very low237 Ų237145.3 Ų145.389%0.89481%0.806SS**  trans-88.5113.1166.1-75-176.3174.1178.1-3.5107.9G13G13-R15 PolarHBondContact O-N 3.27Å
16F47.6Very low43.9Very low175 Ų175140.3 Ų140.377%0.76879%0.792SS**  trans-74.1135.6162.8-63.1-85.5000108.3V14V14-F16 HydrophobicContact CB-CE2 4.46Å; V14-F16 HydrophobicContact CG1-CD2 4.21Å; V14-F16 HydrophobicContact CG1-CE1 4.27Å; V14-F16 HydrophobicContact CG1-CE2 3.8Å; V14-F16 HydrophobicContact CG1-CZ 3.83Å
17P43.2Very low44.8Very low109 Ų109135.9 Ų135.971%0.70879%0.789SS**  trans-68.7134170.129.1-32.2000109.5E19P17-E19 PolarHBondContact O-N 3.47Å
18E50.5Low45.5Very low202 Ų202131.4 Ų131.494%0.94478%0.777SS**  trans-82.792.5173.2-169.4170.1110.300108.2
19E41.8Very low47Very low175 Ų175130.1 Ų130.182%0.81877%0.765SS**  trans-84.8149.2167.2-85.3-173.310000111.4P17P17-E19 PolarHBondContact O-N 3.47Å
20L46.8Very low47.9Very low161 Ų161134.8 Ų134.884%0.84377%0.771SS**  trans-59158.5-166-73.6156.9000114.1S22L20-S22 PolarHBondContact O-N 3.22Å
21P46.7Very low48.4Very low121 Ų121132.1 Ų132.179%0.78676%0.76SS**  trans-66.3102.3-17427.4-35.6000111.7V23P21-V23 PolarHBondContact O-N 3.31Å
22S41.5Very low49.2Very low107 Ų107131.5 Ų131.575%0.74875%0.752SS**  trans-64.3124.6163.7-174.20000109.1L20 G24L20-S22 PolarHBondContact O-N 3.22Å; S22-G24 PolarHBondContact O-N 3.14Å
23V43.4Very low49.6Very low141 Ų141137.9 Ų137.986%0.85577%0.765SS**  trans-63.5117.1-177.7173.20000109.9P21 A25P21-V23 PolarHBondContact O-N 3.31Å; V23-A25 PolarHBondContact O-N 2.97Å
24G47.1Very low50.1Low60 Ų60141.9 Ų141.962%0.61976%0.762SS**  trans53.449.6149.900000116.8S22 T26S22-G24 PolarHBondContact O-N 3.14Å; G24-T26 PolarHBondContact O-N 3.07Å; G24-T26 PolarHBondContact O-OG1 3.13Å
25A44.9Very low50.3Low98 Ų98141.3 Ų141.381%0.8176%0.755SS**  trans-75.456163.700000111.2V23V23-A25 PolarHBondContact O-N 2.97Å
26T46.9Very low50.6Low90 Ų90136 Ų13655%0.55274%0.74SS**  trans-59.4134.5157.531.50000107.7G24 H28G24-T26 PolarHBondContact O-N 3.07Å; G24-T26 PolarHBondContact O-OG1 3.13Å; T26-H28 WeakPolarHBondContact CB-NE2 3.38Å; T26-H28 PolarHBondContact O-N 3.23Å; T26-H28 PolarHBondContact OG1-CD2 2.83Å; T26-H28 PolarHBondContact OG1-NE2 2.96Å
27S55.3Low51.2Low122 Ų122131.6 Ų131.685%0.85372%0.724SS**  trans-73.964.9-179.859.50000111.1V29S27-V29 PolarHBondContact O-N 2.75Å
28H54.2Low53.1Low145 Ų145130.5 Ų130.567%0.67172%0.72SS**  trans-75.2102.8170.7-66.7-59000108.4T26 H30T26-H28 WeakPolarHBondContact CB-NE2 3.38Å; T26-H28 PolarHBondContact O-N 3.23Å; T26-H28 PolarHBondContact OG1-CD2 2.83Å; T26-H28 PolarHBondContact OG1-NE2 2.96Å; H28-H30 PolarHBondContact O-N 3.43Å; H28-H30 VanDerWaalsContact O-N 3.13Å
29V68.5Low55Low111 Ų111123.6 Ų123.667%0.67369%0.691SS**  trans-59.8112.5159-770000107.7S27 F31S27-V29 PolarHBondContact O-N 2.75Å; V29-F31 HydrophobicContact CB-CE2 4.41Å; V29-F31 HydrophobicContact CG2-CD2 4.19Å; V29-F31 HydrophobicContact CG2-CE2 3.52Å; V29-F31 HydrophobicContact CG2-CZ 4.01Å; V29-F31 PolarHBondContact O-N 3.47Å; V29-F31 VanDerWaalsContact O-N 3.1Å
30H59.4Low57.5Low188 Ų188115.9 Ų115.987%0.8766%0.656SS**  trans-71.4102.9170.9-113.2-82.8000107.4H28 D32H28-H30 PolarHBondContact O-N 3.43Å; H28-H30 VanDerWaalsContact O-N 3.13Å; H30-D32 PolarHBondContact O-N 2.91Å
31F54Low59.8Low146 Ų146111.4 Ų111.464%0.6463%0.631SS**  trans-73120.5163-68.9-82.8000107.4V29 E33 L35V29-F31 HydrophobicContact CB-CE2 4.41Å; V29-F31 HydrophobicContact CG2-CD2 4.19Å; V29-F31 HydrophobicContact CG2-CE2 3.52Å; V29-F31 HydrophobicContact CG2-CZ 4.01Å; V29-F31 PolarHBondContact O-N 3.47Å; V29-F31 VanDerWaalsContact O-N 3.1Å; F31-E33 PolarHBondContact O-N 3.47Å; F31-L35 HydrophobicContact CD1-CD2 4.22Å
32D58.8Low62.2Low128 Ų128107.8 Ų107.868%0.68461%0.607SS**  trans-66.1128.8166-150.2-62.1000107H30 K34H30-D32 PolarHBondContact O-N 2.91Å; D32-K34 PolarHBondContact O-N 3.5Å
33E49.4Very low64.8Low196 Ų196106 Ų10692%0.91659%0.592SS**SBendtrans-73.321.8-167.3-155.2176102.300113.3F31F31-E33 PolarHBondContact O-N 3.47Å
34K51.8Low67.3Low153 Ų153104.4 Ų104.467%0.66558%0.576SS**  trans-115.259.4174.8-63.7-178.3-178.9177.70109.9D32 H36D32-K34 PolarHBondContact O-N 3.5Å; K34-H36 PolarHBondContact O-CD2 3.28Å; K34-H36 PolarHBondContact O-N 2.81Å
35L54.3Low69.6Low102 Ų102104.1 Ų104.153%0.53456%0.559SS.*  trans-68.984.8173.2-65.6-179.5000110.2F31 D37F31-L35 HydrophobicContact CD1-CD2 4.22Å; L35-D37 PolarHBondContact O-N 2.66Å
36H55.8Low71.8Confident126 Ų126109.6 Ų109.658%0.58357%0.567SS**  trans-74.11.1163.1-65.7-77.9000112.1K34 S38 V39K34-H36 PolarHBondContact O-CD2 3.28Å; K34-H36 PolarHBondContact O-N 2.81Å; H36-S38 PolarHBondContact O-N 2.84Å; H36-V39 WeakPolarHBondContact O-CG1 3.3Å; H36-V39 PolarHBondContact O-N 3.23Å
37D61.6Low73.8Confident82 Ų82109.5 Ų109.544%0.43956%0.564SS.*THydrogen-bonded Turntrans-61.89.2178.2-71.1-27.6000115.2L35 L151L35-D37 PolarHBondContact O-N 2.66Å; D37-L151 WeakPolarHBondContact O-CD2 3.46Å
38S82.4Confident75.5Confident87 Ų87104.8 Ų104.861%0.60854%0.535SS*.THydrogen-bonded Turntrans-93.5-11.8169.2-610000113.3H36 E152H36-S38 PolarHBondContact O-N 2.84Å; S38-E152 WeakPolarHBondContact O-CB 3.25Å; S38-E152 PolarHBondContact O-N 2.77Å
39V91.1Very high77.5Confident57 Ų5799 Ų9935%0.34551%0.508SS..BIsolated β-bridgetrans-130151.6-176.666.30000111.8H36 M41 E152H36-V39 WeakPolarHBondContact O-CG1 3.3Å; H36-V39 PolarHBondContact O-N 3.23Å; V39-M41 PolarHBondContact O-N 3.12Å; V39-E152 HydrophobicContact CB-CB 4.15Å; V39-E152 HydrophobicContact CG2-CB 4.14Å; V39-E152 HydrophobicContact CG2-CG 4.38Å
40V94.2Very high78.9Confident12 Ų1293.7 Ų93.77%0.07348%0.476CS..PPolyproline II helixtrans-52.6122.7172.1172.10000110.4V52 V54 I65 F67 L151 E152 V154V40-V52 HydrophobicContact CG1-CG1 3.38Å; V40-V54 HydrophobicContact CG1-CG1 4.11Å; V40-V54 HydrophobicContact CG2-CG1 4.28Å; V40-I65 HydrophobicContact CG2-CG2 4.48Å; V40-F67 HydrophobicContact CG1-CB 3.99Å; V40-L151 HydrophobicContact CG2-CB 4.27Å; V40-E152 WeakPolarHBondContact CG2-O 3.46Å; V40-E152 PolarHBondContact N-O 2.76Å; V40-V154 HydrophobicContact CG2-CG2 3.52Å
41M95.4Very high80.7Confident67 Ų6786 Ų8633%0.3344%0.441SS..EExtended strand (participates in β ladder)trans-88117.9179.4-70-174.7-84.700110.8V39 V52 K53V39-M41 PolarHBondContact O-N 3.12Å; M41-V52 CarbonylContact O-C 3.53Å; M41-V52 WeakPolarHBondContact O-CA 3.47Å; M41-K53 HydrophobicContact CB-CB 4.29Å; M41-K53 HydrophobicContact CE-CB 4.4Å; M41-K53 HydrophobicContact CE-CD 4.27Å; M41-K53 PolarHBondContact N-O 3.1Å; M41-K53 VanDerWaalsContact N-O 3.14Å; M41-K53 PolarHBondContact O-N 3.21Å
42V96.7Very high82.8Confident45 Ų4579 Ų7927%0.27341%0.411SS..EExtended strand (participates in β ladder)trans-99.1132170.2-179.20000108.9F50 V52 F67 L69V42-F50 HydrophobicContact CG1-CD1 3.86Å; V42-V52 HydrophobicContact CG2-CG1 4.45Å; V42-V52 HydrophobicContact CG2-CG2 4.39Å; V42-F67 HydrophobicContact CG2-CB 3.89Å; V42-F67 HydrophobicContact CG2-CD2 4.06Å; V42-F67 HydrophobicContact CG2-CG 4.32Å; V42-L69 HydrophobicContact CG1-CD2 3.75Å
43T96.2Very high84.7Confident71 Ų7177.2 Ų77.244%0.43640%0.397SS..EExtended strand (participates in β ladder)trans-137.4130.7178.5-54.30000109.7F50 M51T43-F50 WeakPolarHBondContact O-CA 3.35Å; T43-M51 PolarHBondContact N-O 3.38Å; T43-M51 PolarHBondContact O-N 3.44Å
44M95.1Very high86.9Confident106 Ų10667.9 Ų67.952%0.52235%0.353SS..EExtended strand (participates in β ladder)trans-77.6127.4171-166.5172.9178.600109.2N49 F50M44-N49 CarbonylContact C-O 3.48Å; M44-N49 WeakPolarHBondContact CA-O 3.32Å; M44-F50 HydrophobicContact CB-CD1 4.11Å; M44-F50 HydrophobicContact CB-CE1 3.67Å; M44-F50 HydrophobicContact CB-CZ 4.37Å; M44-F50 HydrophobicContact CG-CD1 4.5Å; M44-F50 HydrophobicContact CG-CE1 3.88Å; M44-F50 HydrophobicContact CG-CZ 4.08Å; M44-F50 HydrophobicContact SD-CE1 4.45Å; M44-F50 HydrophobicContact SD-CZ 4.32Å
45E94.8Very high89Confident54 Ų5461.7 Ų61.725%0.25233%0.333SS..  trans-82.1162.7173.9-62.5-170.6132.100110.4D47 G48 N49 M51 K135E45-D47 WeakPolarHBondContact CB-OD1 3.39Å; E45-D47 PolarHBondContact O-N 2.78Å; E45-D47 VanDerWaalsContact O-N 3.14Å; E45-G48 PolarHBondContact O-N 3Å; E45-N49 PolarHBondContact N-O 3.11Å; E45-M51 HydrophobicContact CG-CB 4.26Å; E45-M51 WeakPolarHBondContact OE1-CE 3.44Å; E45-K135 IonicContact OE1-NZ 3.94Å; E45-K135 IonicContact OE2-NZ 3.1Å; E45-K135 PolarHBondContact OE2-NZ 3.16Å
46E91.7Very high91.1Very high213 Ų21360.4 Ų60.4100%0.99532%0.323SS*.THydrogen-bonded Turntrans-61.1-23.9-176.6-61.9-177.5168.900113.7G48E46-G48 VanDerWaalsContact C-N 3.28Å
47D90.1Very high93.1Very high88 Ų8854.4 Ų54.447%0.47130%0.295SS..THydrogen-bonded Turntrans-86.14.5177.269.5-5.5000113.3E45 N49 R133E45-D47 WeakPolarHBondContact CB-OD1 3.39Å; E45-D47 PolarHBondContact O-N 2.78Å; E45-D47 VanDerWaalsContact O-N 3.14Å; D47-N49 VanDerWaalsContact C-N 3.34Å; D47-N49 VanDerWaalsContact OD1-CB 3.25Å; D47-N49 WeakPolarHBondContact OD1-CB 3.39Å; D47-N49 PolarHBondContact OD1-N 2.94Å; D47-N49 VanDerWaalsContact OD1-N 3.11Å; D47-N49 PolarHBondContact OD1-ND2 3.48Å; D47-N49 VanDerWaalsContact OD1-ND2 3.12Å; D47-N49 PolarHBondContact OD2-ND2 2.93Å; D47-R133 IonicContact OD2-CZ 2.66Å; D47-R133 IonicContact OD2-NH2 2.81Å; D47-R133 PolarHBondContact OD2-NH2 2.8Å
48G90.6Very high94.7Very high24 Ų2452.2 Ų52.225%0.24728%0.282CS..SBendtrans84.90.4179.400000115.3E45 E46E45-G48 PolarHBondContact O-N 3Å; E46-G48 VanDerWaalsContact C-N 3.28Å
49N95.3Very high95.4Very high22 Ų2248.7 Ų48.712%0.11826%0.257CS..  trans-84.3176.9176.3-64.3-51.5000111.9M44 E45 D47 R133M44-N49 CarbonylContact C-O 3.48Å; M44-N49 WeakPolarHBondContact CA-O 3.32Å; E45-N49 PolarHBondContact N-O 3.11Å; D47-N49 VanDerWaalsContact C-N 3.34Å; D47-N49 VanDerWaalsContact OD1-CB 3.25Å; D47-N49 WeakPolarHBondContact OD1-CB 3.39Å; D47-N49 PolarHBondContact OD1-N 2.94Å; D47-N49 VanDerWaalsContact OD1-N 3.11Å; D47-N49 PolarHBondContact OD1-ND2 3.48Å; D47-N49 VanDerWaalsContact OD1-ND2 3.12Å; D47-N49 PolarHBondContact OD2-ND2 2.93Å; N49-R133 HydrophobicContact CB-CB 4.07Å; N49-R133 HydrophobicContact CB-CG 4.43Å; N49-R133 VanDerWaalsContact CB-O 3.3Å; N49-R133 WeakPolarHBondContact CB-O 3.33Å; N49-R133 PolarHBondContact ND2-NE 2.73Å; N49-R133 PolarHBondContact ND2-NH2 2.87Å; N49-R133 WeakPolarHBondContact OD1-CB 3.4Å; N49-R133 PolarHBondContact OD1-N 2.87Å
50F97.4Very high95.5Very high0 Ų047.6 Ų47.60%025%0.248CC..EExtended strand (participates in β ladder)trans-121138.2-179.1-66.1-84.6000113.7V42 T43 M44 L69 P70 V72 I132 R133 V134 K135V42-F50 HydrophobicContact CG1-CD1 3.86Å; T43-F50 WeakPolarHBondContact O-CA 3.35Å; M44-F50 HydrophobicContact CB-CD1 4.11Å; M44-F50 HydrophobicContact CB-CE1 3.67Å; M44-F50 HydrophobicContact CB-CZ 4.37Å; M44-F50 HydrophobicContact CG-CD1 4.5Å; M44-F50 HydrophobicContact CG-CE1 3.88Å; M44-F50 HydrophobicContact CG-CZ 4.08Å; M44-F50 HydrophobicContact SD-CE1 4.45Å; M44-F50 HydrophobicContact SD-CZ 4.32Å; F50-L69 HydrophobicContact CB-CD2 3.85Å; F50-L69 HydrophobicContact CD1-CD2 3.99Å; F50-L69 HydrophobicContact CD2-CD1 4.28Å; F50-L69 HydrophobicContact CD2-CD2 4.01Å; F50-L69 HydrophobicContact CG-CD2 3.65Å; F50-P70 VanDerWaalsContact CE1-CD 3.47Å; F50-P70 HydrophobicContact CE1-CG 3.48Å; F50-P70 VanDerWaalsContact CE1-CG 3.48Å; F50-P70 HydrophobicContact CZ-CG 3.81Å; F50-V72 HydrophobicContact CE2-CG2 3.76Å; F50-V72 HydrophobicContact CZ-CG2 3.7Å; F50-I132 HydrophobicContact CD2-CG2 3.55Å; F50-I132 HydrophobicContact CE2-CD1 4.28Å; F50-I132 HydrophobicContact CE2-CG2 3.88Å; F50-R133 PolarHBondContact N-O 3.33Å; F50-V134 HydrophobicContact CB-CG1 4.44Å; F50-K135 PolarHBondContact O-N 2.79Å
51M98Very high95.6Very high27 Ų2748.9 Ų48.913%0.13325%0.253CS..EExtended strand (participates in β ladder)trans-104.9126.1165.9-177.462.467.500109.1T43 E45 K53 K135 H137T43-M51 PolarHBondContact N-O 3.38Å; T43-M51 PolarHBondContact O-N 3.44Å; E45-M51 HydrophobicContact CG-CB 4.26Å; E45-M51 WeakPolarHBondContact OE1-CE 3.44Å; M51-K53 HydrophobicContact CG-CG 4.24Å; M51-K135 HydrophobicContact CE-CB 3.97Å; M51-K135 HydrophobicContact CE-CD 3.62Å; M51-K135 HydrophobicContact CE-CG 4.48Å; M51-K135 HydrophobicContact SD-CB 3.94Å; M51-H137 HydrophobicContact SD-CB 3.55Å; M51-H137 VanDerWaalsContact SD-CB 3.55Å
52V98.2Very high95.7Very high0 Ų049.6 Ų49.60%025%0.252CS..EExtended strand (participates in β ladder)trans-118.7104-178.3-176.10000108.2V40 M41 V42 V54 F67 V134 K135 V136 H137V40-V52 HydrophobicContact CG1-CG1 3.38Å; M41-V52 CarbonylContact O-C 3.53Å; M41-V52 WeakPolarHBondContact O-CA 3.47Å; V42-V52 HydrophobicContact CG2-CG1 4.45Å; V42-V52 HydrophobicContact CG2-CG2 4.39Å; V52-V54 HydrophobicContact CG1-CG1 4.03Å; V52-F67 HydrophobicContact CG1-CB 4.35Å; V52-F67 HydrophobicContact CG1-CD1 3.82Å; V52-F67 HydrophobicContact CG1-CD2 4.21Å; V52-F67 HydrophobicContact CG1-CE1 4.11Å; V52-F67 HydrophobicContact CG1-CE2 4.48Å; V52-F67 HydrophobicContact CG1-CG 3.86Å; V52-F67 HydrophobicContact CG1-CZ 4.43Å; V52-F67 HydrophobicContact CG2-CD2 3.96Å; V52-F67 HydrophobicContact CG2-CE2 3.74Å; V52-F67 HydrophobicContact CG2-CG 4.45Å; V52-F67 HydrophobicContact CG2-CZ 4.04Å; V52-V134 HydrophobicContact CG2-CG1 3.66Å; V52-K135 PolarHBondContact N-O 2.8Å; V52-V136 HydrophobicContact CB-CG2 4.45Å; V52-V136 WeakPolarHBondContact O-CA 3.22Å; V52-H137 PolarHBondContact O-N 2.9Å
53K97.8Very high95.8Very high89 Ų8947.6 Ų47.639%0.38724%0.24SC..EExtended strand (participates in β ladder)trans-92.7115.5-178.7-62.9172.8-177.8169.20109.7M41 M51 H137M41-K53 HydrophobicContact CB-CB 4.29Å; M41-K53 HydrophobicContact CE-CB 4.4Å; M41-K53 HydrophobicContact CE-CD 4.27Å; M41-K53 PolarHBondContact N-O 3.1Å; M41-K53 VanDerWaalsContact N-O 3.14Å; M41-K53 PolarHBondContact O-N 3.21Å; M51-K53 HydrophobicContact CG-CG 4.24Å; K53-H137 WeakPolarHBondContact CA-O 3.23Å; K53-H137 HydrophobicContact CG-CB 4.37Å
54V97.4Very high95.9Very high0 Ų046.5 Ų46.50%023%0.23CC..EExtended strand (participates in β ladder)trans-103.98-171.9-56.80000113.7V40 V52 L57 I65 V136 H137 A138 L151 V154V40-V54 HydrophobicContact CG1-CG1 4.11Å; V40-V54 HydrophobicContact CG2-CG1 4.28Å; V52-V54 HydrophobicContact CG1-CG1 4.03Å; V54-L57 HydrophobicContact CG2-CD1 4.25Å; V54-L57 HydrophobicContact CG2-CG 4.43Å; V54-I65 HydrophobicContact CB-CD1 4.24Å; V54-I65 HydrophobicContact CG1-CD1 4Å; V54-I65 HydrophobicContact CG1-CG2 3.73Å; V54-I65 HydrophobicContact CG2-CD1 4.19Å; V54-V136 HydrophobicContact CG1-CG1 3.8Å; V54-V136 HydrophobicContact CG2-CG1 4.09Å; V54-H137 PolarHBondContact N-O 2.84Å; V54-H137 VanDerWaalsContact N-O 3.09Å; V54-A138 HydrophobicContact CG2-CB 3.57Å; V54-L151 VanDerWaalsContact C-CD1 3.43Å; V54-V154 HydrophobicContact CB-CG2 4.06Å
55G96Very high96.1Very high24 Ų2441.5 Ų41.525%0.24721%0.205CC..EExtended strand (participates in β ladder)trans75.2-137.1175.900000113R139G55-R139 PolarHBondContact O-N 2.78Å
56F96.8Very high96.2Very high74 Ų7440.8 Ų40.833%0.32520%0.204SC..EExtended strand (participates in β ladder)trans-98.5128.9-176.5-66.8-98.5000110.9R139 M141 P148 L150F56-R139 VanDerWaalsContact CA-O 3.32Å; F56-R139 WeakPolarHBondContact CA-O 3.44Å; F56-R139 HydrophobicContact CD1-CB 4.21Å; F56-R139 HydrophobicContact CD1-CG 3.98Å; F56-R139 VanDerWaalsContact CE1-CD 3.45Å; F56-R139 HydrophobicContact CE1-CG 4.02Å; F56-M141 HydrophobicContact CB-CG 4.49Å; F56-M141 HydrophobicContact CB-SD 4.03Å; F56-M141 HydrophobicContact CD1-CE 4.4Å; F56-M141 HydrophobicContact CD1-CG 3.95Å; F56-M141 HydrophobicContact CD1-SD 3.77Å; F56-M141 HydrophobicContact CG-SD 4.28Å; F56-P148 HydrophobicContact CB-CB 4.23Å; F56-P148 WeakPolarHBondContact O-CB 3.12Å; F56-L150 WeakPolarHBondContact O-CD2 3.48Å
57L97.6Very high96.5Very high0 Ų031.3 Ų31.30%016%0.16CC..EExtended strand (participates in β ladder)trans-116169.7172-57-175000109.3V54 Y63 Y108 A138 R139 V140 M141 L150 V154V54-L57 HydrophobicContact CG2-CD1 4.25Å; V54-L57 HydrophobicContact CG2-CG 4.43Å; L57-Y63 HydrophobicContact CB-CD2 4.33Å; L57-Y63 HydrophobicContact CB-CE2 3.77Å; L57-Y63 HydrophobicContact CD1-CD2 3.98Å; L57-Y63 HydrophobicContact CD1-CE2 4.27Å; L57-Y63 HydrophobicContact CD1-CG 4.5Å; L57-Y63 HydrophobicContact CD2-CD1 3.95Å; L57-Y63 HydrophobicContact CD2-CD2 4Å; L57-Y63 HydrophobicContact CD2-CE1 4.01Å; L57-Y63 HydrophobicContact CD2-CE2 4.04Å; L57-Y63 HydrophobicContact CD2-CG 3.95Å; L57-Y63 HydrophobicContact CG-CD2 4.33Å; L57-Y63 HydrophobicContact CG-CE2 4.24Å; L57-Y108 HydrophobicContact CD1-CD1 3.62Å; L57-Y108 HydrophobicContact CD1-CE1 3.71Å; L57-Y108 HydrophobicContact CD1-CG 4.25Å; L57-A138 HydrophobicContact CD1-CB 3.69Å; L57-A138 HydrophobicContact CG-CB 4.14Å; L57-R139 PolarHBondContact N-O 2.81Å; L57-V140 HydrophobicContact CB-CG2 4.33Å; L57-V140 WeakPolarHBondContact O-CA 3.42Å; L57-M141 WeakPolarHBondContact O-CB 3.33Å; L57-M141 WeakPolarHBondContact O-CG 3.44Å; L57-M141 PolarHBondContact O-N 2.84Å; L57-L150 HydrophobicContact CD2-CD2 4.23Å; L57-V154 HydrophobicContact CD2-CG1 3.73Å
58K96.6Very high96.8Very high36 Ų3630.3 Ų30.316%0.15716%0.157CC..EExtended strand (participates in β ladder)trans-113.3139.9173.7-170.9161.5-177.5155.70110.1H61 Y63 A110 R143 H145 P148K58-H61 WeakPolarHBondContact O-CB 3.13Å; K58-Y63 WeakPolarHBondContact CB-OH 3.31Å; K58-Y63 PolarHBondContact N-OH 2.83Å; K58-A110 WeakPolarHBondContact O-CB 3.42Å; K58-R143 WeakPolarHBondContact CE-O 3.12Å; K58-R143 PolarHBondContact NZ-O 2.8Å; K58-H145 PolarHBondContact NZ-O 2.73Å; K58-P148 HydrophobicContact CB-CG 4.12Å
59T96.1Very high97Very high13 Ų1329.2 Ų29.28%0.0815%0.146CC..THydrogen-bonded Turntrans-62.7154.7176.5-166.50000111.4H61 A110 L111 M141 R143T59-H61 PolarHBondContact O-N 3.32Å; T59-H61 PolarHBondContact O-ND1 2.8Å; T59-A110 CarbonylContact C-O 3.56Å; T59-A110 VanDerWaalsContact CA-O 3.26Å; T59-A110 WeakPolarHBondContact CA-O 3.25Å; T59-A110 PolarHBondContact OG1-O 3.06Å; T59-L111 PolarHBondContact OG1-O 2.82Å; T59-M141 PolarHBondContact N-O 2.72Å; T59-R143 HydrophobicContact CG2-CB 4.23Å
60Q94.1Very high96.9Very high35 Ų3531.5 Ų31.516%0.16416%0.161CC..THydrogen-bonded Turntrans60.126.2-175.8-57.5163.2-5.300113.7A110 T159 E160 E162Q60-A110 PolarHBondContact N-O 3.37Å; Q60-T159 CarbonylContact O-C 3.6Å; Q60-T159 WeakPolarHBondContact O-CA 3.37Å; Q60-E160 PolarHBondContact O-N 3.48Å; Q60-E162 PolarHBondContact NE2-OE1 3.33Å; Q60-E162 PolarHBondContact NE2-OE2 3.22Å
61H96.1Very high96.5Very high39 Ų3936.9 Ų36.918%0.18119%0.187CC..EExtended strand (participates in β ladder)trans-122.4148.5176.4-66.858.4000110.8K58 T59 Y63 A110 G158K58-H61 WeakPolarHBondContact O-CB 3.13Å; T59-H61 PolarHBondContact O-N 3.32Å; T59-H61 PolarHBondContact O-ND1 2.8Å; H61-Y63 HydrophobicContact CB-CD2 4.36Å; H61-Y63 HydrophobicContact CB-CE2 3.51Å; H61-A110 PolarHBondContact O-N 2.86Å; H61-G158 WeakPolarHBondContact CA-O 3.35Å
62R97.8Very high95.9Very high82 Ų8236.9 Ų36.931%0.30919%0.188SC..EExtended strand (participates in β ladder)trans-104.8131.4172.4-164.4-177.7-58.7-157.95109.4E107 Y108 L109 I157 G158 E160R62-E107 WeakPolarHBondContact CD-OE2 3.5Å; R62-E107 IonicContact NH1-OE2 3.87Å; R62-E107 PolarHBondContact NH1-OE2 2.84Å; R62-E107 VanDerWaalsContact NH1-OE2 3.15Å; R62-Y108 WeakPolarHBondContact CA-O 3.36Å; R62-L109 HydrophobicContact CB-CD1 4.08Å; R62-L109 HydrophobicContact CG-CD1 4.22Å; R62-I157 HydrophobicContact CB-CG1 4.13Å; R62-I157 HydrophobicContact CG-CD1 4.01Å; R62-I157 HydrophobicContact CG-CG1 4Å; R62-I157 WeakPolarHBondContact O-CG1 3.31Å; R62-I157 PolarHBondContact O-N 2.86Å; R62-G158 PolarHBondContact N-O 3.47Å; R62-G158 PolarHBondContact O-N 3.1Å; R62-E160 IonicContact CZ-OE2 3.4Å; R62-E160 IonicContact NE-OE2 3.52Å; R62-E160 IonicContact NH2-OE1 3.64Å; R62-E160 IonicContact NH2-OE2 2.75Å; R62-E160 PolarHBondContact NH2-OE2 3.06Å
63Y98.4Very high95.1Very high3 Ų342.7 Ų42.71%0.01223%0.226CC..EExtended strand (participates in β ladder)trans-117.5140.9-179.4-63.8-86.9000110.3L57 K58 H61 E107 Y108 A110 L150 V154 R155 C156L57-Y63 HydrophobicContact CB-CD2 4.33Å; L57-Y63 HydrophobicContact CB-CE2 3.77Å; L57-Y63 HydrophobicContact CD1-CD2 3.98Å; L57-Y63 HydrophobicContact CD1-CE2 4.27Å; L57-Y63 HydrophobicContact CD1-CG 4.5Å; L57-Y63 HydrophobicContact CD2-CD1 3.95Å; L57-Y63 HydrophobicContact CD2-CD2 4Å; L57-Y63 HydrophobicContact CD2-CE1 4.01Å; L57-Y63 HydrophobicContact CD2-CE2 4.04Å; L57-Y63 HydrophobicContact CD2-CG 3.95Å; L57-Y63 HydrophobicContact CG-CD2 4.33Å; L57-Y63 HydrophobicContact CG-CE2 4.24Å; K58-Y63 WeakPolarHBondContact CB-OH 3.31Å; K58-Y63 PolarHBondContact N-OH 2.83Å; H61-Y63 HydrophobicContact CB-CD2 4.36Å; H61-Y63 HydrophobicContact CB-CE2 3.51Å; Y63-E107 CarbonylContact O-C 3.49Å; Y63-E107 VanDerWaalsContact O-CA 3.3Å; Y63-E107 WeakPolarHBondContact O-CA 3.33Å; Y63-Y108 PolarHBondContact N-O 2.81Å; Y63-Y108 PolarHBondContact O-N 2.75Å; Y63-A110 HydrophobicContact CD2-CB 4.48Å; Y63-A110 HydrophobicContact CE2-CB 4.21Å; Y63-L150 HydrophobicContact CD1-CD1 4.5Å; Y63-L150 HydrophobicContact CD1-CD2 4.36Å; Y63-L150 HydrophobicContact CE1-CD1 4.1Å; Y63-L150 HydrophobicContact CE1-CD2 3.73Å; Y63-V154 HydrophobicContact CD1-CG1 3.86Å; Y63-V154 HydrophobicContact CG-CG1 4.42Å; Y63-R155 CarbonylContact C-O 3.38Å; Y63-R155 VanDerWaalsContact CA-O 3.26Å; Y63-R155 WeakPolarHBondContact CA-O 3.38Å; Y63-C156 HydrophobicContact CD1-CB 4.07Å; Y63-C156 HydrophobicContact CE1-CB 3.77Å
64E98.6Very high94.2Very high48 Ų4841.8 Ų41.822%0.22424%0.235CC..EExtended strand (participates in β ladder)trans-89.3133.7155.9179.7-168.667.700107.5V66 T105 C106 R155 I157E64-V66 HydrophobicContact CG-CG2 4.34Å; E64-T105 HydrophobicContact CG-CG2 3.8Å; E64-C106 CarbonylContact C-O 3.56Å; E64-C106 WeakPolarHBondContact CA-O 3.43Å; E64-R155 HydrophobicContact CB-CB 4.5Å; E64-R155 PolarHBondContact N-O 3.36Å; E64-R155 PolarHBondContact O-N 2.83Å; E64-R155 IonicContact OE1-CZ 3.56Å; E64-R155 IonicContact OE1-NE 3.15Å; E64-R155 PolarHBondContact OE1-NE 3.33Å; E64-R155 IonicContact OE1-NH2 3.58Å; E64-R155 PolarHBondContact OE1-NH2 2.78Å; E64-R155 IonicContact OE2-CZ 2.79Å; E64-R155 IonicContact OE2-NH2 3.07Å; E64-R155 PolarHBondContact OE2-NH2 2.83Å; E64-I157 HydrophobicContact CB-CD1 4.32Å; E64-I157 HydrophobicContact CB-CG2 3.69Å
65I98.6Very high93.4Very high0 Ų042 Ų420%024%0.236CC..EExtended strand (participates in β ladder)trans-126.3125.5179.2-50.6-173.9000108V40 V54 F67 T105 C106 Y108 V136 G153 V154V40-I65 HydrophobicContact CG2-CG2 4.48Å; V54-I65 HydrophobicContact CB-CD1 4.24Å; V54-I65 HydrophobicContact CG1-CD1 4Å; V54-I65 HydrophobicContact CG1-CG2 3.73Å; V54-I65 HydrophobicContact CG2-CD1 4.19Å; I65-F67 HydrophobicContact CG2-CD1 4.08Å; I65-T105 WeakPolarHBondContact O-CA 3.46Å; I65-C106 PolarHBondContact N-O 2.74Å; I65-C106 PolarHBondContact O-N 2.77Å; I65-Y108 HydrophobicContact CD1-CD2 4.26Å; I65-Y108 HydrophobicContact CD1-CG 4.08Å; I65-V136 HydrophobicContact CD1-CG1 4.25Å; I65-G153 CarbonylContact C-O 3.53Å; I65-G153 WeakPolarHBondContact CA-O 3.42Å; I65-V154 HydrophobicContact CG2-CG2 4.42Å
66V98.3Very high92.5Very high39 Ų3942.3 Ų42.324%0.23624%0.24CC..EExtended strand (participates in β ladder)trans-120.8126.3-179.3-178.70000108.8E64 K103 I104 T105 G153E64-V66 HydrophobicContact CG-CG2 4.34Å; V66-K103 HydrophobicContact CG1-CD 4.46Å; V66-K103 HydrophobicContact CG1-CG 4.24Å; V66-I104 WeakPolarHBondContact CA-O 3.21Å; V66-T105 HydrophobicContact CG2-CG2 3.98Å; V66-G153 PolarHBondContact N-O 3.31Å; V66-G153 WeakPolarHBondContact O-CA 3.4Å
67F97.3Very high91.7Very high14 Ų1445.4 Ų45.46%0.06125%0.253CS..EExtended strand (participates in β ladder)trans-149.4164.5176.457.9-87.9000111.1V40 V42 V52 I65 L69 I104 V134V40-F67 HydrophobicContact CG1-CB 3.99Å; V42-F67 HydrophobicContact CG2-CB 3.89Å; V42-F67 HydrophobicContact CG2-CD2 4.06Å; V42-F67 HydrophobicContact CG2-CG 4.32Å; V52-F67 HydrophobicContact CG1-CB 4.35Å; V52-F67 HydrophobicContact CG1-CD1 3.82Å; V52-F67 HydrophobicContact CG1-CD2 4.21Å; V52-F67 HydrophobicContact CG1-CE1 4.11Å; V52-F67 HydrophobicContact CG1-CE2 4.48Å; V52-F67 HydrophobicContact CG1-CG 3.86Å; V52-F67 HydrophobicContact CG1-CZ 4.43Å; V52-F67 HydrophobicContact CG2-CD2 3.96Å; V52-F67 HydrophobicContact CG2-CE2 3.74Å; V52-F67 HydrophobicContact CG2-CG 4.45Å; V52-F67 HydrophobicContact CG2-CZ 4.04Å; I65-F67 HydrophobicContact CG2-CD1 4.08Å; F67-L69 HydrophobicContact CD2-CD2 3.92Å; F67-L69 HydrophobicContact CD2-CG 4.26Å; F67-L69 HydrophobicContact CE2-CD2 3.7Å; F67-L69 HydrophobicContact CE2-CG 3.97Å; F67-I104 HydrophobicContact CD2-CB 4.21Å; F67-I104 HydrophobicContact CD2-CG1 4.36Å; F67-I104 HydrophobicContact CE1-CB 4.13Å; F67-I104 HydrophobicContact CE1-CG2 4.09Å; F67-I104 HydrophobicContact CE2-CB 3.7Å; F67-I104 HydrophobicContact CE2-CG1 3.75Å; F67-I104 HydrophobicContact CE2-CG2 4.19Å; F67-I104 HydrophobicContact CZ-CB 3.67Å; F67-I104 HydrophobicContact CZ-CG1 4.13Å; F67-I104 HydrophobicContact CZ-CG2 3.67Å; F67-I104 PolarHBondContact N-O 3.04Å; F67-I104 VanDerWaalsContact N-O 3.1Å; F67-I104 PolarHBondContact O-N 2.86Å; F67-V134 HydrophobicContact CE2-CG1 4.06Å; F67-V134 HydrophobicContact CZ-CG1 3.99Å
68T96.2Very high91.2Very high68 Ų6850 Ų5042%0.41728%0.278SS..EExtended strand (participates in β ladder)trans-115.3122.7177-58.60000110A97 L102T68-A97 HydrophobicContact CG2-CB 3.61Å; T68-L102 CarbonylContact C-O 3.5Å; T68-L102 WeakPolarHBondContact CA-O 3.31Å
69L95.1Very high91Very high1 Ų148.9 Ų48.91%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-82.3136.1166.3-59.1-178.3000109.2V42 F50 F67 G101 L102 I104 L122 V134V42-L69 HydrophobicContact CG1-CD2 3.75Å; F50-L69 HydrophobicContact CB-CD2 3.85Å; F50-L69 HydrophobicContact CD1-CD2 3.99Å; F50-L69 HydrophobicContact CD2-CD1 4.28Å; F50-L69 HydrophobicContact CD2-CD2 4.01Å; F50-L69 HydrophobicContact CG-CD2 3.65Å; F67-L69 HydrophobicContact CD2-CD2 3.92Å; F67-L69 HydrophobicContact CD2-CG 4.26Å; F67-L69 HydrophobicContact CE2-CD2 3.7Å; F67-L69 HydrophobicContact CE2-CG 3.97Å; L69-G101 CarbonylContact O-C 3.44Å; L69-G101 WeakPolarHBondContact O-CA 3.47Å; L69-L102 HydrophobicContact CB-CB 4.48Å; L69-L102 PolarHBondContact N-O 3.01Å; L69-L102 PolarHBondContact O-N 2.91Å; L69-I104 HydrophobicContact CD1-CD1 4.43Å; L69-I104 HydrophobicContact CD1-CG1 4.06Å; L69-I104 HydrophobicContact CG-CG1 4.1Å; L69-L122 HydrophobicContact CD1-CD1 3.71Å; L69-V134 HydrophobicContact CD1-CG2 3.86Å
70P93.1Very high90.8Very high69 Ų6950.2 Ų50.245%0.44828%0.283SS..PPolyproline II helixtrans-63.3160.4171.829.6-35.6000111.2F50 V72F50-P70 VanDerWaalsContact CE1-CD 3.47Å; F50-P70 HydrophobicContact CE1-CG 3.48Å; F50-P70 VanDerWaalsContact CE1-CG 3.48Å; F50-P70 HydrophobicContact CZ-CG 3.81Å; P70-V72 PolarHBondContact O-N 3.24Å
71E88.4Confident90.8Very high114 Ų11451.5 Ų51.553%0.53329%0.294SS..PPolyproline II helixtrans-64.3125.4-179.8-171.8166.1-147.200111.4K77E71-K77 WeakPolarHBondContact OE1-CE 3.48Å
72V84.8Confident90.7Very high26 Ų2650.4 Ų50.416%0.15829%0.292CS..  trans-109.9103.3174.71800000108.3F50 P70 A74 V75 G76 I132F50-V72 HydrophobicContact CE2-CG2 3.76Å; F50-V72 HydrophobicContact CZ-CG2 3.7Å; P70-V72 PolarHBondContact O-N 3.24Å; V72-A74 PolarHBondContact O-N 2.93Å; V72-V75 HydrophobicContact CB-CB 4.37Å; V72-V75 HydrophobicContact CB-CG2 4.33Å; V72-V75 HydrophobicContact CG1-CB 4.31Å; V72-V75 HydrophobicContact CG1-CG2 3.82Å; V72-V75 PolarHBondContact O-N 2.84Å; V72-G76 PolarHBondContact O-N 2.93Å; V72-I132 HydrophobicContact CB-CD1 4.04Å; V72-I132 HydrophobicContact CG1-CD1 4.33Å; V72-I132 HydrophobicContact CG2-CD1 3.93Å
73P82.4Confident90.2Very high123 Ų12352.5 Ų52.580%0.79932%0.316SS*.THydrogen-bonded Turntrans-58.2-28.1-170.5-29.236000115.5V75P73-V75 VanDerWaalsContact C-N 3.3Å; P73-V75 PolarHBondContact O-N 3.21Å
74A78.6Confident89.5Confident70 Ų7058.1 Ų58.158%0.57935%0.346SS*.THydrogen-bonded Turntrans-69-27.7178.700000113.3V72 V130V72-A74 PolarHBondContact O-N 2.93Å; A74-V130 HydrophobicContact CB-CG1 4.47Å
75V80.1Confident88.8Confident4 Ų462 Ų622%0.02438%0.375CS..THydrogen-bonded Turntrans-97.7-25.1-168.5173.80000111.5V72 P73 V79 S124 V130 I132V72-V75 HydrophobicContact CB-CB 4.37Å; V72-V75 HydrophobicContact CB-CG2 4.33Å; V72-V75 HydrophobicContact CG1-CB 4.31Å; V72-V75 HydrophobicContact CG1-CG2 3.82Å; V72-V75 PolarHBondContact O-N 2.84Å; P73-V75 VanDerWaalsContact C-N 3.3Å; P73-V75 PolarHBondContact O-N 3.21Å; V75-V79 HydrophobicContact CG1-CG1 4.4Å; V75-V79 HydrophobicContact CG1-CG2 3.65Å; V75-S124 WeakPolarHBondContact O-CB 3.34Å; V75-S124 PolarHBondContact O-OG 2.8Å; V75-V130 HydrophobicContact CB-CG1 4.14Å; V75-V130 HydrophobicContact CG2-CG1 3.34Å; V75-I132 HydrophobicContact CB-CD1 3.97Å; V75-I132 HydrophobicContact CB-CG1 4.3Å; V75-I132 HydrophobicContact CG1-CD1 3.81Å; V75-I132 HydrophobicContact CG1-CG1 4.19Å; V75-I132 HydrophobicContact CG2-CD1 3.62Å; V75-I132 HydrophobicContact CG2-CG1 3.44Å; V75-I132 VanDerWaalsContact CG2-CG1 3.44Å
76G78.8Confident88.3Confident31 Ų3163.8 Ų63.832%0.3238%0.384SS..  trans78.7-158.6178.500000113.2V72V72-G76 PolarHBondContact O-N 2.93Å
77K79Confident87.8Confident139 Ų13966.7 Ų66.760%0.60440%0.404SS*.SBendtrans-105.2-25.1-176.9-60.5-173.2-180-171.50112.9E71E71-K77 WeakPolarHBondContact OE1-CE 3.48Å
78D86.3Confident87.7Confident97 Ų9768.7 Ų68.752%0.51941%0.414SS..  trans-95.9104.5-178-50.6-57.2000108.2E125D78-E125 HydrophobicContact CB-CB 4.14Å; D78-E125 PolarHBondContact O-N 2.87Å
79V92.3Very high87.7Confident12 Ų1265.7 Ų65.77%0.07340%0.395CS..EExtended strand (participates in β ladder)trans-142.1132.7-167.1-176.20000109.6V75 L102 L122 L123V75-V79 HydrophobicContact CG1-CG1 4.4Å; V75-V79 HydrophobicContact CG1-CG2 3.65Å; V79-L102 HydrophobicContact CB-CD1 4.16Å; V79-L102 HydrophobicContact CG1-CD1 4.41Å; V79-L102 HydrophobicContact CG2-CD1 3.77Å; V79-L122 HydrophobicContact CG1-CB 3.7Å; V79-L122 HydrophobicContact CG1-CD1 4.42Å; V79-L122 HydrophobicContact CG1-CD2 4.32Å; V79-L122 HydrophobicContact CG1-CG 4.38Å; V79-L123 VanDerWaalsContact CA-O 3.31Å; V79-L123 WeakPolarHBondContact CA-O 3.43Å; V79-L123 WeakPolarHBondContact CG1-O 3.21Å
80C93.3Very high87.8Confident41 Ų4171.6 Ų71.628%0.27742%0.421SS..EExtended strand (participates in β ladder)trans-119154.3176.860.40000111.6L122 L123 E125C80-L122 WeakPolarHBondContact O-CA 3.41Å; C80-L123 PolarHBondContact N-O 3.21Å; C80-L123 PolarHBondContact O-N 2.86Å; C80-E125 HydrophobicContact CB-CG 4.38Å
81P94.4Very high87.9Confident62 Ų6269.4 Ų69.440%0.40341%0.405SS..EExtended strand (participates in β ladder)trans-68.6138168.230.3-33.9000110.2I91P81-I91 HydrophobicContact CB-CB 4.12Å; P81-I91 HydrophobicContact CB-CD1 3.81Å; P81-I91 HydrophobicContact CB-CG2 4.43Å; P81-I91 HydrophobicContact CG-CB 4.45Å; P81-I91 HydrophobicContact CG-CG2 4.42Å
82A92.4Very high88.3Confident16 Ų1667.1 Ų67.113%0.13240%0.399CS..  trans-59.2144.7173.400000110.8L84 L121 L123A82-L84 HydrophobicContact CB-CG 4.42Å; A82-L84 PolarHBondContact O-N 3.03Å; A82-L121 HydrophobicContact CB-CB 3.72Å; A82-L121 WeakPolarHBondContact CB-O 3.34Å; A82-L121 PolarHBondContact N-O 3.23Å; A82-L123 HydrophobicContact CB-CD1 3.92Å; A82-L123 HydrophobicContact CB-CD2 4.15Å; A82-L123 HydrophobicContact CB-CG 3.91Å
83P87.9Confident88.9Confident125 Ų12569.3 Ų69.381%0.81241%0.41SS*.SBendtrans-77.640.2-176.334-38000113
84L84.6Confident89.5Confident122 Ų12265.4 Ų65.464%0.63938%0.382SS*.  trans-99127178.1-62.9178.1000109.5A82 N86 L121A82-L84 HydrophobicContact CB-CG 4.42Å; A82-L84 PolarHBondContact O-N 3.03Å; L84-N86 PolarHBondContact O-N 2.83Å; L84-L121 HydrophobicContact CD1-CD1 4.06Å
85P82.2Confident90.3Very high129 Ų12964 Ų6484%0.83837%0.367SS*.  trans-73.5110.1177.829.2-33000110.4
86N88.1Confident90.9Very high37 Ų3767.6 Ų67.620%0.19840%0.397CS..  trans-97.3122.9160.3-179.9-36.3000108.3L84 H88 L89 E118 E119L84-N86 PolarHBondContact O-N 2.83Å; N86-H88 VanDerWaalsContact C-N 3.32Å; N86-H88 PolarHBondContact O-N 3.29Å; N86-H88 PolarHBondContact OD1-N 3.38Å; N86-L89 WeakPolarHBondContact CB-O 3.49Å; N86-L89 PolarHBondContact OD1-N 3.06Å; N86-E118 PolarHBondContact ND2-OE2 2.8Å; N86-E118 PolarHBondContact OD1-OE2 2.86Å; N86-E119 PolarHBondContact ND2-O 2.92Å
87P88.4Confident91.5Very high100 Ų10066.7 Ų66.765%0.64939%0.387SS*.SBendtrans-77.1-14.2-176.631.9-36000114.3
88H95.3Very high91.9Very high57 Ų5766.3 Ų66.326%0.26440%0.399SS..SBendtrans-113.5-18.9-175.3-57.4-48.7000113.4N86 Y108 L109 E118N86-H88 VanDerWaalsContact C-N 3.32Å; N86-H88 PolarHBondContact O-N 3.29Å; N86-H88 PolarHBondContact OD1-N 3.38Å; H88-Y108 CarbonylContact O-C 3.51Å; H88-Y108 VanDerWaalsContact O-CA 3.28Å; H88-Y108 WeakPolarHBondContact O-CA 3.47Å; H88-L109 PolarHBondContact O-N 3.3Å; H88-E118 HydrophobicContact CB-CG 3.93Å; H88-E118 IonicContact CD2-OE1 2.66Å; H88-E118 PolarHBondContact CD2-OE1 2.94Å; H88-E118 IonicContact CG-OE1 3.82Å
89L96.8Very high91.9Very high5 Ų570.7 Ų70.73%0.02642%0.416CS..EExtended strand (participates in β ladder)trans-137.1121.9-178.1175.561.3000111N86 C106 E107 Y108 E118 V120 V136N86-L89 WeakPolarHBondContact CB-O 3.49Å; N86-L89 PolarHBondContact OD1-N 3.06Å; L89-C106 HydrophobicContact CD1-CB 3.78Å; L89-C106 VanDerWaalsContact CD1-SG 3.6Å; L89-E107 WeakPolarHBondContact CA-O 3.48Å; L89-Y108 HydrophobicContact CD1-CD2 4.3Å; L89-E118 HydrophobicContact CB-CB 3.81Å; L89-E118 HydrophobicContact CB-CG 4.32Å; L89-E118 HydrophobicContact CD2-CB 3.75Å; L89-E118 HydrophobicContact CG-CB 4.42Å; L89-V120 HydrophobicContact CD2-CG1 3.78Å; L89-V120 HydrophobicContact CD2-CG2 4.1Å; L89-V120 HydrophobicContact CG-CG1 3.85Å; L89-V136 HydrophobicContact CD1-CG2 4.12Å; L89-V136 HydrophobicContact CD2-CB 3.95Å; L89-V136 HydrophobicContact CD2-CG2 3.56Å
90K95.9Very high91.6Very high125 Ų12571.7 Ų71.754%0.54343%0.429SS..EExtended strand (participates in β ladder)trans-131.4119.2-179.9178.7-171171.8-162.80110.7C106 E107K90-C106 CarbonylContact O-C 3.58Å; K90-C106 WeakPolarHBondContact O-CA 3.12Å; K90-C106 WeakPolarHBondContact O-CB 3.45Å; K90-E107 PolarHBondContact N-O 3.47Å; K90-E107 PolarHBondContact O-N 2.77Å
91I97.1Very high91.6Very high23 Ų2370.3 Ų70.312%0.11842%0.422CS..EExtended strand (participates in β ladder)trans-67.2132.8169.1-66.7161.3000109.3P81 I94 I104 C106 V120 L122P81-I91 HydrophobicContact CB-CB 4.12Å; P81-I91 HydrophobicContact CB-CD1 3.81Å; P81-I91 HydrophobicContact CB-CG2 4.43Å; P81-I91 HydrophobicContact CG-CB 4.45Å; P81-I91 HydrophobicContact CG-CG2 4.42Å; I91-I94 HydrophobicContact CG2-CD1 4.07Å; I91-I94 HydrophobicContact CG2-CG1 3.69Å; I91-I104 HydrophobicContact CG1-CG2 4.23Å; I91-I104 HydrophobicContact CG2-CG2 4.45Å; I91-C106 HydrophobicContact CG1-CB 4.34Å; I91-V120 HydrophobicContact CD1-CB 4.07Å; I91-V120 HydrophobicContact CD1-CG1 4.46Å; I91-V120 HydrophobicContact CD1-CG2 3.74Å; I91-V120 HydrophobicContact CG1-CG2 4.34Å; I91-L122 HydrophobicContact CD1-CD2 3.53Å
92T96.6Very high91.6Very high65 Ų6568 Ų6840%0.39941%0.406SS..EExtended strand (participates in β ladder)trans-117.7-26.5-178.250.60000113.5T105 E107T92-T105 PolarHBondContact N-O 3.1Å; T92-T105 PolarHBondContact OG1-O 2.85Å; T92-E107 HydrophobicContact CG2-CB 4.47Å; T92-E107 HydrophobicContact CG2-CG 3.95Å
93D96.8Very high91.7Very high73 Ų7371.1 Ų71.139%0.3942%0.417SS..EExtended strand (participates in β ladder)trans-146.5143.7172.1-176.369.6000110.9S95 T105D93-S95 WeakPolarHBondContact OD2-CB 3.38Å; D93-S95 PolarHBondContact OD2-OG 3Å; D93-T105 PolarHBondContact N-O 2.96Å; D93-T105 PolarHBondContact O-N 2.94Å
94I95.6Very high92.2Very high41 Ų4165.3 Ų65.321%0.2138%0.378CS..EExtended strand (participates in β ladder)trans-129.7122.6166.5-59.1-178.1000106.5I91 L102 I104 L122I91-I94 HydrophobicContact CG2-CD1 4.07Å; I91-I94 HydrophobicContact CG2-CG1 3.69Å; I94-L102 HydrophobicContact CG2-CD2 4.39Å; I94-I104 HydrophobicContact CB-CD1 4.4Å; I94-I104 HydrophobicContact CD1-CD1 4.35Å; I94-I104 HydrophobicContact CG1-CD1 3.94Å; I94-I104 HydrophobicContact CG2-CD1 3.99Å; I94-L122 HydrophobicContact CD1-CD2 3.64Å
95S94.3Very high92.8Very high39 Ų3960.1 Ų60.127%0.27335%0.352SS..EExtended strand (participates in β ladder)trans-142.1153.6-178.742.30000111.5D93 A97 K103D93-S95 WeakPolarHBondContact OD2-CB 3.38Å; D93-S95 PolarHBondContact OD2-OG 3Å; S95-A97 PolarHBondContact O-N 2.87Å; S95-K103 PolarHBondContact N-O 3.14Å; S95-K103 WeakPolarHBondContact O-CB 3.48Å; S95-K103 PolarHBondContact O-N 3.09Å
96A92.3Very high93.6Very high80 Ų8054.1 Ų54.166%0.66131%0.313SS*.EExtended strand (participates in β ladder)trans-67.3132.4176.400000110.7
97A92.1Very high94Very high13 Ų1355 Ų5511%0.10732%0.316CS..  trans-82.7144.2176.400000111.4T68 S95 E99 G100 G101 K103T68-A97 HydrophobicContact CG2-CB 3.61Å; S95-A97 PolarHBondContact O-N 2.87Å; A97-E99 VanDerWaalsContact C-N 3.28Å; A97-E99 PolarHBondContact O-N 2.98Å; A97-G100 WeakPolarHBondContact CB-O 3.44Å; A97-G100 PolarHBondContact O-N 2.84Å; A97-G101 PolarHBondContact N-O 2.81Å; A97-K103 HydrophobicContact CB-CB 4.33Å
98P87.7Confident94.5Very high130 Ų13050.2 Ų50.284%0.84429%0.285SS*.THydrogen-bonded Turntrans-59.5-35.7-178.4-25.734.9000114.2G100P98-G100 PolarHBondContact O-N 2.94Å
99E85.8Confident94.6Very high189 Ų18949.1 Ų49.188%0.88328%0.281SS*.THydrogen-bonded Turntrans-82.85.2-179.9-46.7-59164.500113A97A97-E99 VanDerWaalsContact C-N 3.28Å; A97-E99 PolarHBondContact O-N 2.98Å
100G86.8Confident94.6Very high34 Ų3448.9 Ų48.935%0.35128%0.279SS..SBendtrans92.8160.9-169.600000113.3A97 P98A97-G100 WeakPolarHBondContact CB-O 3.44Å; A97-G100 PolarHBondContact O-N 2.84Å; P98-G100 PolarHBondContact O-N 2.94Å
101G91.9Very high94.5Very high11 Ų1146.9 Ų46.911%0.11327%0.274CS..SBendtrans80.7-163.7-174.400000114.3L69 A97L69-G101 CarbonylContact O-C 3.44Å; L69-G101 WeakPolarHBondContact O-CA 3.47Å; A97-G101 PolarHBondContact N-O 2.81Å
102L94Very high94.3Very high14 Ų1452 Ų527%0.07330%0.298CS..EExtended strand (participates in β ladder)trans-117.1121.1-171.5-63.5174.7000110.9T68 L69 V79 I94 I104T68-L102 CarbonylContact C-O 3.5Å; T68-L102 WeakPolarHBondContact CA-O 3.31Å; L69-L102 HydrophobicContact CB-CB 4.48Å; L69-L102 PolarHBondContact N-O 3.01Å; L69-L102 PolarHBondContact O-N 2.91Å; V79-L102 HydrophobicContact CB-CD1 4.16Å; V79-L102 HydrophobicContact CG1-CD1 4.41Å; V79-L102 HydrophobicContact CG2-CD1 3.77Å; I94-L102 HydrophobicContact CG2-CD2 4.39Å; L102-I104 HydrophobicContact CB-CD1 4.16Å
103K96.1Very high94.3Very high82 Ų8254.7 Ų54.736%0.35731%0.306SS..EExtended strand (participates in β ladder)trans-80.3123.6165.4-174.8-171.5175.1-165.20108.6V66 S95 A97V66-K103 HydrophobicContact CG1-CD 4.46Å; V66-K103 HydrophobicContact CG1-CG 4.24Å; S95-K103 PolarHBondContact N-O 3.14Å; S95-K103 WeakPolarHBondContact O-CB 3.48Å; S95-K103 PolarHBondContact O-N 3.09Å; A97-K103 HydrophobicContact CB-CB 4.33Å
104I97.1Very high94.3Very high2 Ų252.8 Ų52.81%0.0130%0.304CS..EExtended strand (participates in β ladder)trans-110.1134.2176.6-50.6-60.4000108.3V66 F67 L69 I91 I94 L102 L122V66-I104 WeakPolarHBondContact CA-O 3.21Å; F67-I104 HydrophobicContact CD2-CB 4.21Å; F67-I104 HydrophobicContact CD2-CG1 4.36Å; F67-I104 HydrophobicContact CE1-CB 4.13Å; F67-I104 HydrophobicContact CE1-CG2 4.09Å; F67-I104 HydrophobicContact CE2-CB 3.7Å; F67-I104 HydrophobicContact CE2-CG1 3.75Å; F67-I104 HydrophobicContact CE2-CG2 4.19Å; F67-I104 HydrophobicContact CZ-CB 3.67Å; F67-I104 HydrophobicContact CZ-CG1 4.13Å; F67-I104 HydrophobicContact CZ-CG2 3.67Å; F67-I104 PolarHBondContact N-O 3.04Å; F67-I104 VanDerWaalsContact N-O 3.1Å; F67-I104 PolarHBondContact O-N 2.86Å; L69-I104 HydrophobicContact CD1-CD1 4.43Å; L69-I104 HydrophobicContact CD1-CG1 4.06Å; L69-I104 HydrophobicContact CG-CG1 4.1Å; I91-I104 HydrophobicContact CG1-CG2 4.23Å; I91-I104 HydrophobicContact CG2-CG2 4.45Å; I94-I104 HydrophobicContact CB-CD1 4.4Å; I94-I104 HydrophobicContact CD1-CD1 4.35Å; I94-I104 HydrophobicContact CG1-CD1 3.94Å; I94-I104 HydrophobicContact CG2-CD1 3.99Å; L102-I104 HydrophobicContact CB-CD1 4.16Å; I104-L122 HydrophobicContact CD1-CD1 4.16Å
105T98.3Very high94.3Very high14 Ų1455.3 Ų55.39%0.08632%0.321CS..EExtended strand (participates in β ladder)trans-116.7133.4164.9-49.30000108.8E64 I65 V66 T92 D93E64-T105 HydrophobicContact CG-CG2 3.8Å; I65-T105 WeakPolarHBondContact O-CA 3.46Å; V66-T105 HydrophobicContact CG2-CG2 3.98Å; T92-T105 PolarHBondContact N-O 3.1Å; T92-T105 PolarHBondContact OG1-O 2.85Å; D93-T105 PolarHBondContact N-O 2.96Å; D93-T105 PolarHBondContact O-N 2.94Å
106C97.9Very high94.5Very high2 Ų254.6 Ų54.61%0.01431%0.314CS..EExtended strand (participates in β ladder)trans-140.5151.8175.857.80000113E64 I65 L89 K90 I91E64-C106 CarbonylContact C-O 3.56Å; E64-C106 WeakPolarHBondContact CA-O 3.43Å; I65-C106 PolarHBondContact N-O 2.74Å; I65-C106 PolarHBondContact O-N 2.77Å; L89-C106 HydrophobicContact CD1-CB 3.78Å; L89-C106 VanDerWaalsContact CD1-SG 3.6Å; K90-C106 CarbonylContact O-C 3.58Å; K90-C106 WeakPolarHBondContact O-CA 3.12Å; K90-C106 WeakPolarHBondContact O-CB 3.45Å; I91-C106 HydrophobicContact CG1-CB 4.34Å
107E97.8Very high94.7Very high55 Ų5554 Ų5426%0.25730%0.304SS..EExtended strand (participates in β ladder)trans-87.8131.1165-75178.1-137.300109.5R62 Y63 L89 K90 T92 I157R62-E107 WeakPolarHBondContact CD-OE2 3.5Å; R62-E107 IonicContact NH1-OE2 3.87Å; R62-E107 PolarHBondContact NH1-OE2 2.84Å; R62-E107 VanDerWaalsContact NH1-OE2 3.15Å; Y63-E107 CarbonylContact O-C 3.49Å; Y63-E107 VanDerWaalsContact O-CA 3.3Å; Y63-E107 WeakPolarHBondContact O-CA 3.33Å; L89-E107 WeakPolarHBondContact CA-O 3.48Å; K90-E107 PolarHBondContact N-O 3.47Å; K90-E107 PolarHBondContact O-N 2.77Å; T92-E107 HydrophobicContact CG2-CB 4.47Å; T92-E107 HydrophobicContact CG2-CG 3.95Å; E107-I157 HydrophobicContact CG-CD1 4.07Å
108Y98.1Very high95Very high1 Ų154.9 Ų54.90%0.00431%0.306CS..EExtended strand (participates in β ladder)trans-117.7126.3172.6-171.1-75000109.8L57 R62 Y63 I65 H88 L89 A110 L116 E118 V136 A138L57-Y108 HydrophobicContact CD1-CD1 3.62Å; L57-Y108 HydrophobicContact CD1-CE1 3.71Å; L57-Y108 HydrophobicContact CD1-CG 4.25Å; R62-Y108 WeakPolarHBondContact CA-O 3.36Å; Y63-Y108 PolarHBondContact N-O 2.81Å; Y63-Y108 PolarHBondContact O-N 2.75Å; I65-Y108 HydrophobicContact CD1-CD2 4.26Å; I65-Y108 HydrophobicContact CD1-CG 4.08Å; H88-Y108 CarbonylContact O-C 3.51Å; H88-Y108 VanDerWaalsContact O-CA 3.28Å; H88-Y108 WeakPolarHBondContact O-CA 3.47Å; L89-Y108 HydrophobicContact CD1-CD2 4.3Å; Y108-A110 HydrophobicContact CD1-CB 4.13Å; Y108-A110 HydrophobicContact CE1-CB 3.89Å; Y108-L116 WeakPolarHBondContact OH-CB 3.44Å; Y108-E118 HydrophobicContact CE2-CB 4.02Å; Y108-E118 HydrophobicContact CE2-CG 3.61Å; Y108-V136 HydrophobicContact CD2-CG1 3.91Å; Y108-V136 HydrophobicContact CE2-CG1 4.03Å; Y108-A138 HydrophobicContact CE2-CB 4.4Å
109L97.3Very high95.3Very high33 Ų3352.7 Ų52.717%0.17328%0.284CS..EExtended strand (participates in β ladder)trans-108.5100.3179.8-171.768.7000110.2R62 H88 L111 E160R62-L109 HydrophobicContact CB-CD1 4.08Å; R62-L109 HydrophobicContact CG-CD1 4.22Å; H88-L109 PolarHBondContact O-N 3.3Å; L109-L111 HydrophobicContact CD1-CD2 4.22Å; L109-L111 HydrophobicContact CD2-CD1 3.87Å; L109-L111 HydrophobicContact CD2-CD2 3.91Å; L109-L111 HydrophobicContact CD2-CG 3.89Å; L109-L111 HydrophobicContact CG-CD1 4.37Å; L109-L111 HydrophobicContact CG-CD2 3.73Å; L109-L111 HydrophobicContact CG-CG 3.82Å; L109-L111 PolarHBondContact O-N 3.4Å; L109-E160 HydrophobicContact CD1-CB 4.09Å; L109-E160 HydrophobicContact CD1-CG 4.1Å; L109-E160 WeakPolarHBondContact CD1-OE2 3.5Å
110A96.6Very high95.8Very high0 Ų044.8 Ų44.80%025%0.249CC..EExtended strand (participates in β ladder)trans-80.880.6-17500000111.3K58 T59 Q60 H61 Y63 Y108 V140K58-A110 WeakPolarHBondContact O-CB 3.42Å; T59-A110 CarbonylContact C-O 3.56Å; T59-A110 VanDerWaalsContact CA-O 3.26Å; T59-A110 WeakPolarHBondContact CA-O 3.25Å; T59-A110 PolarHBondContact OG1-O 3.06Å; Q60-A110 PolarHBondContact N-O 3.37Å; H61-A110 PolarHBondContact O-N 2.86Å; Y63-A110 HydrophobicContact CD2-CB 4.48Å; Y63-A110 HydrophobicContact CE2-CB 4.21Å; Y108-A110 HydrophobicContact CD1-CB 4.13Å; Y108-A110 HydrophobicContact CE1-CB 3.89Å; A110-V140 HydrophobicContact CB-CG1 3.96Å; A110-V140 HydrophobicContact CB-CG2 4.06Å
111L93.8Very high96.2Very high84 Ų8445.5 Ų45.544%0.4425%0.245SC..  trans-87.4-25.3-179.2-62-172.5000114.7T59 L109 E160T59-L111 PolarHBondContact OG1-O 2.82Å; L109-L111 HydrophobicContact CD1-CD2 4.22Å; L109-L111 HydrophobicContact CD2-CD1 3.87Å; L109-L111 HydrophobicContact CD2-CD2 3.91Å; L109-L111 HydrophobicContact CD2-CG 3.89Å; L109-L111 HydrophobicContact CG-CD1 4.37Å; L109-L111 HydrophobicContact CG-CD2 3.73Å; L109-L111 HydrophobicContact CG-CG 3.82Å; L109-L111 PolarHBondContact O-N 3.4Å; L111-E160 HydrophobicContact CD2-CG 4.44Å
112Q93.6Very high96.4Very high129 Ų12945 Ų4560%0.60324%0.239SC*.SBendtrans-116.1141.8-176.4-161.3-170.8-77.800110.6L116 V140Q112-L116 HydrophobicContact CB-CD1 4.23Å; Q112-L116 WeakPolarHBondContact O-CD1 3.32Å; Q112-V140 WeakPolarHBondContact O-CB 3.3Å; Q112-V140 WeakPolarHBondContact O-CG1 3.26Å
113E95.6Very high96.4Very high122 Ų12247 Ų4757%0.5725%0.25SC*.  trans-74.7160.8170.562.8176.9-150.100112.6D142E113-D142 WeakPolarHBondContact OE2-CB 3.43Å
114G96.9Very high96.2Very high34 Ų3443.4 Ų43.435%0.35124%0.235SC..EExtended strand (participates in β ladder)trans116.2-154.8172.900000113.8R139 V140G114-R139 CarbonylContact O-C 3.49Å; G114-R139 WeakPolarHBondContact O-CA 3.47Å; G114-V140 PolarHBondContact N-O 2.87Å; G114-V140 PolarHBondContact O-N 3.35Å
115V97.6Very high95.8Very high93 Ų9349.5 Ų49.556%0.56426%0.263SS*.EExtended strand (participates in β ladder)trans-105.3109.1174.1-179.20000107.2H137 R139V115-H137 VanDerWaalsContact CG1-NE2 3.25Å; V115-H137 WeakPolarHBondContact CG1-NE2 3.47Å; V115-R139 HydrophobicContact CG2-CG 4.3Å
116L97.6Very high95.2Very high25 Ų2553.7 Ų53.713%0.13129%0.289CS..EExtended strand (participates in β ladder)trans-109153-174.5-56.8-174.3000110.7Y108 Q112 H137 A138 V140Y108-L116 WeakPolarHBondContact OH-CB 3.44Å; Q112-L116 HydrophobicContact CB-CD1 4.23Å; Q112-L116 WeakPolarHBondContact O-CD1 3.32Å; L116-H137 CarbonylContact O-C 3.51Å; L116-H137 WeakPolarHBondContact O-CA 3.14Å; L116-A138 PolarHBondContact N-O 3.18Å; L116-A138 PolarHBondContact O-N 2.8Å; L116-V140 HydrophobicContact CD1-CG2 3.8Å; L116-V140 HydrophobicContact CG-CG2 4.24Å
117C96.9Very high94.6Very high67 Ų6755.7 Ų55.745%0.45330%0.303SS..EExtended strand (participates in β ladder)trans-141.292.5-179.4-170.50000108.3V136C117-V136 WeakPolarHBondContact CA-O 3.41Å
118E97.2Very high93.8Very high32 Ų3261 Ų6115%0.1533%0.333CS..EExtended strand (participates in β ladder)trans-86.4141.1-179.9-70.9-56.7147.600111.1N86 H88 L89 Y108 K135 V136N86-E118 PolarHBondContact ND2-OE2 2.8Å; N86-E118 PolarHBondContact OD1-OE2 2.86Å; H88-E118 HydrophobicContact CB-CG 3.93Å; H88-E118 IonicContact CD2-OE1 2.66Å; H88-E118 PolarHBondContact CD2-OE1 2.94Å; H88-E118 IonicContact CG-OE1 3.82Å; L89-E118 HydrophobicContact CB-CB 3.81Å; L89-E118 HydrophobicContact CB-CG 4.32Å; L89-E118 HydrophobicContact CD2-CB 3.75Å; L89-E118 HydrophobicContact CG-CB 4.42Å; Y108-E118 HydrophobicContact CE2-CB 4.02Å; Y108-E118 HydrophobicContact CE2-CG 3.61Å; E118-K135 CarbonylContact O-C 3.54Å; E118-K135 VanDerWaalsContact O-CA 3.31Å; E118-K135 WeakPolarHBondContact O-CA 3.44Å; E118-V136 PolarHBondContact N-O 2.89Å; E118-V136 PolarHBondContact O-N 3.18Å
119E95.8Very high93.2Very high83 Ų8368.5 Ų68.539%0.38837%0.373SS..EExtended strand (participates in β ladder)trans-115.9138.1-174.9-168.5172.4128.300111.8N86 R133N86-E119 PolarHBondContact ND2-O 2.92Å; E119-R133 HydrophobicContact CG-CG 3.77Å; E119-R133 VanDerWaalsContact OE1-CD 3.23Å; E119-R133 WeakPolarHBondContact OE1-CD 3.47Å; E119-R133 WeakPolarHBondContact OE2-CD 3.39Å
120V96.1Very high92.8Very high23 Ų2368.6 Ų68.614%0.13938%0.375CS..EExtended strand (participates in β ladder)trans-133.3149.3165-71.30000110.3L89 I91 V134L89-V120 HydrophobicContact CD2-CG1 3.78Å; L89-V120 HydrophobicContact CD2-CG2 4.1Å; L89-V120 HydrophobicContact CG-CG1 3.85Å; I91-V120 HydrophobicContact CD1-CB 4.07Å; I91-V120 HydrophobicContact CD1-CG1 4.46Å; I91-V120 HydrophobicContact CD1-CG2 3.74Å; I91-V120 HydrophobicContact CG1-CG2 4.34Å; V120-V134 HydrophobicContact CG2-CB 4.02Å; V120-V134 PolarHBondContact N-O 2.84Å; V120-V134 PolarHBondContact O-N 2.93Å
121L95.3Very high92.6Very high50 Ų5071.9 Ų71.926%0.26240%0.397SS..EExtended strand (participates in β ladder)trans-103.7135.8171.6-68.8170.5000109.5A82 L84 I132 R133A82-L121 HydrophobicContact CB-CB 3.72Å; A82-L121 WeakPolarHBondContact CB-O 3.34Å; A82-L121 PolarHBondContact N-O 3.23Å; L84-L121 HydrophobicContact CD1-CD1 4.06Å; L121-I132 WeakPolarHBondContact CA-O 3.28Å; L121-R133 HydrophobicContact CD2-CB 3.79Å
122L94.7Very high92.6Very high0 Ų068.1 Ų68.10%038%0.377CS..EExtended strand (participates in β ladder)trans-105.1129.9169.7-66.9-178.6000108.2L69 V79 C80 I91 I94 I104 C131 I132 V134L69-L122 HydrophobicContact CD1-CD1 3.71Å; V79-L122 HydrophobicContact CG1-CB 3.7Å; V79-L122 HydrophobicContact CG1-CD1 4.42Å; V79-L122 HydrophobicContact CG1-CD2 4.32Å; V79-L122 HydrophobicContact CG1-CG 4.38Å; C80-L122 WeakPolarHBondContact O-CA 3.41Å; I91-L122 HydrophobicContact CD1-CD2 3.53Å; I94-L122 HydrophobicContact CD1-CD2 3.64Å; I104-L122 HydrophobicContact CD1-CD1 4.16Å; L122-C131 CarbonylContact O-C 3.59Å; L122-C131 WeakPolarHBondContact O-CA 3.21Å; L122-C131 VanDerWaalsContact O-CB 3.31Å; L122-C131 WeakPolarHBondContact O-CB 3.4Å; L122-I132 HydrophobicContact CB-CB 4.29Å; L122-I132 PolarHBondContact N-O 3.02Å; L122-I132 PolarHBondContact O-N 3.01Å; L122-V134 HydrophobicContact CD1-CG2 3.77Å; L122-V134 HydrophobicContact CG-CG2 4.14Å
123L94.2Very high92.7Very high56 Ų5665.2 Ų65.229%0.29336%0.361SS..EExtended strand (participates in β ladder)trans-109.6138-178.8-52.2-179.2000109.7V79 C80 A82 C131V79-L123 VanDerWaalsContact CA-O 3.31Å; V79-L123 WeakPolarHBondContact CA-O 3.43Å; V79-L123 WeakPolarHBondContact CG1-O 3.21Å; C80-L123 PolarHBondContact N-O 3.21Å; C80-L123 PolarHBondContact O-N 2.86Å; A82-L123 HydrophobicContact CB-CD1 3.92Å; A82-L123 HydrophobicContact CB-CD2 4.15Å; A82-L123 HydrophobicContact CB-CG 3.91Å; L123-C131 HydrophobicContact CD2-CB 3.67Å
124S92.3Very high92.8Very high6 Ų659.5 Ų59.54%0.04233%0.334CS..EExtended strand (participates in β ladder)trans-70.5133.2169.4-1720000109.9V75 T126 V130V75-S124 WeakPolarHBondContact O-CB 3.34Å; V75-S124 PolarHBondContact O-OG 2.8Å; S124-T126 PolarHBondContact O-N 2.91Å; S124-T126 PolarHBondContact OG-N 2.79Å; S124-T126 PolarHBondContact OG-OG1 3.36Å; S124-V130 PolarHBondContact N-O 2.84Å; S124-V130 VanDerWaalsContact N-O 3.1Å
125E88.9Confident92.8Very high131 Ų13159.6 Ų59.661%0.61233%0.325SS*.THydrogen-bonded Turntrans-74.3-8.8171.3-61.3-167.6172.100112.4D78 C80D78-E125 HydrophobicContact CB-CB 4.14Å; D78-E125 PolarHBondContact O-N 2.87Å; C80-E125 HydrophobicContact CB-CG 4.38Å
126T86.3Confident92.9Very high102 Ų10255.2 Ų55.263%0.62630%0.298SS*.THydrogen-bonded Turntrans-105.2-9.5-177.167.80000114.2S124S124-T126 PolarHBondContact O-N 2.91Å; S124-T126 PolarHBondContact OG-N 2.79Å; S124-T126 PolarHBondContact OG-OG1 3.36Å
127S85.3Confident92.9Very high43 Ų4356.9 Ų56.930%0.30131%0.306SS..EExtended strand (participates in β ladder)trans-157.1112.4-178.8-171.20000111.8D129 V130S127-D129 PolarHBondContact O-N 3.1Å; S127-V130 PolarHBondContact O-N 2.66Å; S127-V130 VanDerWaalsContact O-N 3.16Å
128D80.9Confident93Very high167 Ų16753.7 Ų53.789%0.89328%0.284SS*.EExtended strand (participates in β ladder)trans-62.7-25.8-177.9-61.2-39.1000113.6V130D128-V130 VanDerWaalsContact C-N 3.3Å; D128-V130 PolarHBondContact O-N 3.5Å
129D85.2Confident93Very high159 Ų15958.9 Ų58.985%0.8530%0.302SS*.EExtended strand (participates in β ladder)trans-81.5-6.3-179.1-66.5-46.7000113.3S127S127-D129 PolarHBondContact O-N 3.1Å
130V88.8Confident93.1Very high35 Ų3555.1 Ų55.121%0.21229%0.285CS..EExtended strand (participates in β ladder)trans-111.9117.1-171.7179.20000111.8A74 V75 S124 S127 D128A74-V130 HydrophobicContact CB-CG1 4.47Å; V75-V130 HydrophobicContact CB-CG1 4.14Å; V75-V130 HydrophobicContact CG2-CG1 3.34Å; S124-V130 PolarHBondContact N-O 2.84Å; S124-V130 VanDerWaalsContact N-O 3.1Å; S127-V130 PolarHBondContact O-N 2.66Å; S127-V130 VanDerWaalsContact O-N 3.16Å; D128-V130 VanDerWaalsContact C-N 3.3Å; D128-V130 PolarHBondContact O-N 3.5Å
131C92.1Very high93.1Very high68 Ų6856.2 Ų56.246%0.45929%0.289SS..EExtended strand (participates in β ladder)trans-135.1153.6171.966.80000112.4L122 L123L122-C131 CarbonylContact O-C 3.59Å; L122-C131 WeakPolarHBondContact O-CA 3.21Å; L122-C131 VanDerWaalsContact O-CB 3.31Å; L122-C131 WeakPolarHBondContact O-CB 3.4Å; L123-C131 HydrophobicContact CD2-CB 3.67Å
132I94Very high93Very high5 Ų555.2 Ų55.23%0.02628%0.284CS..EExtended strand (participates in β ladder)trans-113.7132168.6-60.2172.6000107.7F50 V72 V75 L121 L122 V134F50-I132 HydrophobicContact CD2-CG2 3.55Å; F50-I132 HydrophobicContact CE2-CD1 4.28Å; F50-I132 HydrophobicContact CE2-CG2 3.88Å; V72-I132 HydrophobicContact CB-CD1 4.04Å; V72-I132 HydrophobicContact CG1-CD1 4.33Å; V72-I132 HydrophobicContact CG2-CD1 3.93Å; V75-I132 HydrophobicContact CB-CD1 3.97Å; V75-I132 HydrophobicContact CB-CG1 4.3Å; V75-I132 HydrophobicContact CG1-CD1 3.81Å; V75-I132 HydrophobicContact CG1-CG1 4.19Å; V75-I132 HydrophobicContact CG2-CD1 3.62Å; V75-I132 HydrophobicContact CG2-CG1 3.44Å; V75-I132 VanDerWaalsContact CG2-CG1 3.44Å; L121-I132 WeakPolarHBondContact CA-O 3.28Å; L122-I132 HydrophobicContact CB-CB 4.29Å; L122-I132 PolarHBondContact N-O 3.02Å; L122-I132 PolarHBondContact O-N 3.01Å; I132-V134 HydrophobicContact CG2-CG2 4.11Å
133R95.6Very high92.7Very high69 Ų6961.2 Ų61.226%0.2631%0.307SS..EExtended strand (participates in β ladder)trans-86.8134.4163.8162175.360.3-163.1-0.2110.7D47 N49 F50 E119 L121 K135D47-R133 IonicContact OD2-CZ 2.66Å; D47-R133 IonicContact OD2-NH2 2.81Å; D47-R133 PolarHBondContact OD2-NH2 2.8Å; N49-R133 HydrophobicContact CB-CB 4.07Å; N49-R133 HydrophobicContact CB-CG 4.43Å; N49-R133 VanDerWaalsContact CB-O 3.3Å; N49-R133 WeakPolarHBondContact CB-O 3.33Å; N49-R133 PolarHBondContact ND2-NE 2.73Å; N49-R133 PolarHBondContact ND2-NH2 2.87Å; N49-R133 WeakPolarHBondContact OD1-CB 3.4Å; N49-R133 PolarHBondContact OD1-N 2.87Å; F50-R133 PolarHBondContact N-O 3.33Å; E119-R133 HydrophobicContact CG-CG 3.77Å; E119-R133 VanDerWaalsContact OE1-CD 3.23Å; E119-R133 WeakPolarHBondContact OE1-CD 3.47Å; E119-R133 WeakPolarHBondContact OE2-CD 3.39Å; L121-R133 HydrophobicContact CD2-CB 3.79Å; R133-K135 HydrophobicContact CG-CG 4.19Å
134V97.2Very high92.5Very high2 Ų266.1 Ų66.11%0.01233%0.328CS..EExtended strand (participates in β ladder)trans-121.1122.6173.2-172.50000108.6F50 V52 F67 L69 V120 L122 I132F50-V134 HydrophobicContact CB-CG1 4.44Å; V52-V134 HydrophobicContact CG2-CG1 3.66Å; F67-V134 HydrophobicContact CE2-CG1 4.06Å; F67-V134 HydrophobicContact CZ-CG1 3.99Å; L69-V134 HydrophobicContact CD1-CG2 3.86Å; V120-V134 HydrophobicContact CG2-CB 4.02Å; V120-V134 PolarHBondContact N-O 2.84Å; V120-V134 PolarHBondContact O-N 2.93Å; L122-V134 HydrophobicContact CD1-CG2 3.77Å; L122-V134 HydrophobicContact CG-CG2 4.14Å; I132-V134 HydrophobicContact CG2-CG2 4.11Å
135K98.1Very high92.3Very high35 Ų3570.6 Ų70.615%0.15235%0.348CS..EExtended strand (participates in β ladder)trans-105.4120.4178-66.7169.1-171.9156.90109.7E45 F50 M51 V52 E118 R133E45-K135 IonicContact OE1-NZ 3.94Å; E45-K135 IonicContact OE2-NZ 3.1Å; E45-K135 PolarHBondContact OE2-NZ 3.16Å; F50-K135 PolarHBondContact O-N 2.79Å; M51-K135 HydrophobicContact CE-CB 3.97Å; M51-K135 HydrophobicContact CE-CD 3.62Å; M51-K135 HydrophobicContact CE-CG 4.48Å; M51-K135 HydrophobicContact SD-CB 3.94Å; V52-K135 PolarHBondContact N-O 2.8Å; E118-K135 CarbonylContact O-C 3.54Å; E118-K135 VanDerWaalsContact O-CA 3.31Å; E118-K135 WeakPolarHBondContact O-CA 3.44Å; R133-K135 HydrophobicContact CG-CG 4.19Å
136V98.3Very high92.3Very high1 Ų166.9 Ų66.91%0.00634%0.344CS..EExtended strand (participates in β ladder)trans-96.3108.2173.8179.70000108.9V52 V54 I65 L89 Y108 C117 E118V52-V136 HydrophobicContact CB-CG2 4.45Å; V52-V136 WeakPolarHBondContact O-CA 3.22Å; V54-V136 HydrophobicContact CG1-CG1 3.8Å; V54-V136 HydrophobicContact CG2-CG1 4.09Å; I65-V136 HydrophobicContact CD1-CG1 4.25Å; L89-V136 HydrophobicContact CD1-CG2 4.12Å; L89-V136 HydrophobicContact CD2-CB 3.95Å; L89-V136 HydrophobicContact CD2-CG2 3.56Å; Y108-V136 HydrophobicContact CD2-CG1 3.91Å; Y108-V136 HydrophobicContact CE2-CG1 4.03Å; C117-V136 WeakPolarHBondContact CA-O 3.41Å; E118-V136 PolarHBondContact N-O 2.89Å; E118-V136 PolarHBondContact O-N 3.18Å
137H98.3Very high92.6Very high61 Ų6168.5 Ų68.528%0.28236%0.355SS..EExtended strand (participates in β ladder)trans-100111.3-177.3176.7-70.1000111.1M51 V52 K53 V54 V115 L116M51-H137 HydrophobicContact SD-CB 3.55Å; M51-H137 VanDerWaalsContact SD-CB 3.55Å; V52-H137 PolarHBondContact O-N 2.9Å; K53-H137 WeakPolarHBondContact CA-O 3.23Å; K53-H137 HydrophobicContact CG-CB 4.37Å; V54-H137 PolarHBondContact N-O 2.84Å; V54-H137 VanDerWaalsContact N-O 3.09Å; V115-H137 VanDerWaalsContact CG1-NE2 3.25Å; V115-H137 WeakPolarHBondContact CG1-NE2 3.47Å; L116-H137 CarbonylContact O-C 3.51Å; L116-H137 WeakPolarHBondContact O-CA 3.14Å
138A97.9Very high92.9Very high0 Ų067.5 Ų67.50%035%0.347CS..EExtended strand (participates in β ladder)trans-121145.3-175.400000111.8V54 L57 Y108 L116 V140V54-A138 HydrophobicContact CG2-CB 3.57Å; L57-A138 HydrophobicContact CD1-CB 3.69Å; L57-A138 HydrophobicContact CG-CB 4.14Å; Y108-A138 HydrophobicContact CE2-CB 4.4Å; L116-A138 PolarHBondContact N-O 3.18Å; L116-A138 PolarHBondContact O-N 2.8Å; A138-V140 HydrophobicContact CB-CG2 4.45Å
139R97.7Very high93.5Very high140 Ų14065.9 Ų65.953%0.52834%0.335SS..EExtended strand (participates in β ladder)trans-104.197.1167-175.3165176-169.10.7109.4G55 F56 L57 G114 V115G55-R139 PolarHBondContact O-N 2.78Å; F56-R139 VanDerWaalsContact CA-O 3.32Å; F56-R139 WeakPolarHBondContact CA-O 3.44Å; F56-R139 HydrophobicContact CD1-CB 4.21Å; F56-R139 HydrophobicContact CD1-CG 3.98Å; F56-R139 VanDerWaalsContact CE1-CD 3.45Å; F56-R139 HydrophobicContact CE1-CG 4.02Å; L57-R139 PolarHBondContact N-O 2.81Å; G114-R139 CarbonylContact O-C 3.49Å; G114-R139 WeakPolarHBondContact O-CA 3.47Å; V115-R139 HydrophobicContact CG2-CG 4.3Å
140V97.7Very high94Very high5 Ų561.2 Ų61.23%0.0331%0.31CS..EExtended strand (participates in β ladder)trans-82.6120.1-179.8-172.10000109.9L57 A110 Q112 G114 L116 A138L57-V140 HydrophobicContact CB-CG2 4.33Å; L57-V140 WeakPolarHBondContact O-CA 3.42Å; A110-V140 HydrophobicContact CB-CG1 3.96Å; A110-V140 HydrophobicContact CB-CG2 4.06Å; Q112-V140 WeakPolarHBondContact O-CB 3.3Å; Q112-V140 WeakPolarHBondContact O-CG1 3.26Å; G114-V140 PolarHBondContact N-O 2.87Å; G114-V140 PolarHBondContact O-N 3.35Å; L116-V140 HydrophobicContact CD1-CG2 3.8Å; L116-V140 HydrophobicContact CG-CG2 4.24Å; A138-V140 HydrophobicContact CB-CG2 4.45Å
141M96.7Very high94.4Very high45 Ų4560.3 Ų60.322%0.22230%0.304CS..EExtended strand (participates in β ladder)trans-87.8149.7175.1-52178.882.900110.2F56 L57 T59 H145 P148F56-M141 HydrophobicContact CB-CG 4.49Å; F56-M141 HydrophobicContact CB-SD 4.03Å; F56-M141 HydrophobicContact CD1-CE 4.4Å; F56-M141 HydrophobicContact CD1-CG 3.95Å; F56-M141 HydrophobicContact CD1-SD 3.77Å; F56-M141 HydrophobicContact CG-SD 4.28Å; L57-M141 WeakPolarHBondContact O-CB 3.33Å; L57-M141 WeakPolarHBondContact O-CG 3.44Å; L57-M141 PolarHBondContact O-N 2.84Å; T59-M141 PolarHBondContact N-O 2.72Å; M141-H145 HydrophobicContact CB-CB 3.99Å; M141-H145 HydrophobicContact CE-CB 3.79Å; M141-P148 HydrophobicContact SD-CB 4.38Å
142D93.2Very high94.6Very high30 Ų3063.8 Ų63.816%0.1631%0.314CS..PPolyproline II helixtrans-68.5173.4175.17693.1000113.1E113 H144 H145E113-D142 WeakPolarHBondContact OE2-CB 3.43Å; D142-H144 VanDerWaalsContact C-N 3.29Å; D142-H144 PolarHBondContact O-N 3.43Å; D142-H144 WeakPolarHBondContact OD1-CA 3.26Å; D142-H144 WeakPolarHBondContact OD1-CB 3.34Å; D142-H144 IonicContact OD1-CG 3.47Å; D142-H144 PolarHBondContact OD1-N 2.79Å; D142-H144 IonicContact OD1-ND1 3.51Å; D142-H144 PolarHBondContact OD1-ND1 3.15Å; D142-H144 VanDerWaalsContact OD1-ND1 3.07Å; D142-H145 PolarHBondContact O-N 3.48Å; D142-H145 PolarHBondContact OD1-N 3.36Å; D142-H145 IonicContact OD2-CD2 3.1Å; D142-H145 IonicContact OD2-CE1 3.9Å; D142-H145 PolarHBondContact OD2-CE1 3.41Å; D142-H145 IonicContact OD2-CG 2.72Å; D142-H145 IonicContact OD2-ND1 2.84Å; D142-H145 PolarHBondContact OD2-ND1 3.07Å; D142-H145 IonicContact OD2-NE2 3.2Å
143R88.9Confident94.7Very high125 Ų12564.8 Ų64.847%0.47233%0.325SS..SBendtrans-65.5-26.2-174.272.8179.397.9-157.11.9114.2K58 T59 E162K58-R143 WeakPolarHBondContact CE-O 3.12Å; K58-R143 PolarHBondContact NZ-O 2.8Å; T59-R143 HydrophobicContact CG2-CB 4.23Å; R143-E162 IonicContact CZ-OE2 3.7Å; R143-E162 IonicContact NH1-OE2 3.06Å; R143-E162 PolarHBondContact NH1-OE2 2.75Å; R143-E162 IonicContact NH2-OE2 3.8Å; R143-E162 PolarHBondContact NH2-OE2 2.75Å
144H89.9Confident94.8Very high159 Ų15962.1 Ų62.174%0.73632%0.317SS*.SBendtrans-93-21.1-175.4-4496.5000113.1D142D142-H144 VanDerWaalsContact C-N 3.29Å; D142-H144 PolarHBondContact O-N 3.43Å; D142-H144 WeakPolarHBondContact OD1-CA 3.26Å; D142-H144 WeakPolarHBondContact OD1-CB 3.34Å; D142-H144 IonicContact OD1-CG 3.47Å; D142-H144 PolarHBondContact OD1-N 2.79Å; D142-H144 IonicContact OD1-ND1 3.51Å; D142-H144 PolarHBondContact OD1-ND1 3.15Å; D142-H144 VanDerWaalsContact OD1-ND1 3.07Å
145H87.1Confident94.9Very high101 Ų10168.8 Ų68.847%0.46834%0.342SS..SBendtrans-60150.6162.2-76.2146.1000110.8K58 M141 D142K58-H145 PolarHBondContact NZ-O 2.73Å; M141-H145 HydrophobicContact CB-CB 3.99Å; M141-H145 HydrophobicContact CE-CB 3.79Å; D142-H145 PolarHBondContact O-N 3.48Å; D142-H145 PolarHBondContact OD1-N 3.36Å; D142-H145 IonicContact OD2-CD2 3.1Å; D142-H145 IonicContact OD2-CE1 3.9Å; D142-H145 PolarHBondContact OD2-CE1 3.41Å; D142-H145 IonicContact OD2-CG 2.72Å; D142-H145 IonicContact OD2-ND1 2.84Å; D142-H145 PolarHBondContact OD2-ND1 3.07Å; D142-H145 IonicContact OD2-NE2 3.2Å
146G89.8Confident94.8Very high52 Ų5269.8 Ų69.854%0.53635%0.352SS..  trans-67.7-161.2-17000000114.9
147T91Very high94.8Very high137 Ų13773.4 Ų73.484%0.8437%0.371SS*.  trans-67.6124.6172.9-51.10000109.3
148P93.6Very high94.6Very high21 Ų2171.9 Ų71.914%0.13637%0.372CS..  trans-66.8145.5177.628.2-35.3000110.9F56 K58 M141 L150F56-P148 HydrophobicContact CB-CB 4.23Å; F56-P148 WeakPolarHBondContact O-CB 3.12Å; K58-P148 HydrophobicContact CB-CG 4.12Å; M141-P148 HydrophobicContact SD-CB 4.38Å; P148-L150 HydrophobicContact CB-CD2 4.13Å; P148-L150 HydrophobicContact CG-CD2 3.86Å; P148-L150 HydrophobicContact CG-CG 4.48Å; P148-L150 PolarHBondContact O-N 3.3Å
149M93.1Very high94.3Very high133 Ų13376 Ų7666%0.65540%0.397SS*.  trans-78.996.7168.4-170.5179.281.100108.3
150L96Very high93.6Very high61 Ų6172.8 Ų72.832%0.31939%0.388SS..BIsolated β-bridgetrans-74.7140.5177.9-57.1-175.6000110.4F56 L57 Y63 P148 V154 C156F56-L150 WeakPolarHBondContact O-CD2 3.48Å; L57-L150 HydrophobicContact CD2-CD2 4.23Å; Y63-L150 HydrophobicContact CD1-CD1 4.5Å; Y63-L150 HydrophobicContact CD1-CD2 4.36Å; Y63-L150 HydrophobicContact CE1-CD1 4.1Å; Y63-L150 HydrophobicContact CE1-CD2 3.73Å; P148-L150 HydrophobicContact CB-CD2 4.13Å; P148-L150 HydrophobicContact CG-CD2 3.86Å; P148-L150 HydrophobicContact CG-CG 4.48Å; P148-L150 PolarHBondContact O-N 3.3Å; L150-V154 HydrophobicContact CB-CB 4.34Å; L150-V154 HydrophobicContact CB-CG1 4.45Å; L150-V154 HydrophobicContact CD2-CG1 4.02Å; L150-C156 HydrophobicContact CD1-CB 4.38Å
151L96.5Very high92.2Very high16 Ų1679.8 Ų79.88%0.08442%0.424CS..PPolyproline II helixtrans-78.9155.1172.8-49.6178.6000110.2D37 V40 V54 G153 V154D37-L151 WeakPolarHBondContact O-CD2 3.46Å; V40-L151 HydrophobicContact CG2-CB 4.27Å; V54-L151 VanDerWaalsContact C-CD1 3.43Å; L151-G153 PolarHBondContact O-N 2.79Å; L151-V154 HydrophobicContact CB-CG2 4.27Å; L151-V154 WeakPolarHBondContact O-CB 3.46Å; L151-V154 PolarHBondContact O-N 2.85Å
152E95.6Very high90.6Very high141 Ų14183 Ų8366%0.65944%0.439SS*.BIsolated β-bridgetrans-54.6130.1163.8-178.1176-166.100109.6S38 V39 V40S38-E152 WeakPolarHBondContact O-CB 3.25Å; S38-E152 PolarHBondContact O-N 2.77Å; V39-E152 HydrophobicContact CB-CB 4.15Å; V39-E152 HydrophobicContact CG2-CB 4.14Å; V39-E152 HydrophobicContact CG2-CG 4.38Å; V40-E152 WeakPolarHBondContact CG2-O 3.46Å; V40-E152 PolarHBondContact N-O 2.76Å
153G96.4Very high88.9Confident26 Ų2691.7 Ų91.727%0.26847%0.471SS..THydrogen-bonded Turntrans96.4-14.3-167.600000114.3I65 V66 L151I65-G153 CarbonylContact C-O 3.53Å; I65-G153 WeakPolarHBondContact CA-O 3.42Å; V66-G153 PolarHBondContact N-O 3.31Å; V66-G153 WeakPolarHBondContact O-CA 3.4Å; L151-G153 PolarHBondContact O-N 2.79Å
154V98.2Very high87.3Confident14 Ų1489.8 Ų89.89%0.08547%0.47CS..EExtended strand (participates in β ladder)trans-108.9122.4177.5-173.30000111V40 V54 L57 Y63 I65 L150 L151V40-V154 HydrophobicContact CG2-CG2 3.52Å; V54-V154 HydrophobicContact CB-CG2 4.06Å; L57-V154 HydrophobicContact CD2-CG1 3.73Å; Y63-V154 HydrophobicContact CD1-CG1 3.86Å; Y63-V154 HydrophobicContact CG-CG1 4.42Å; I65-V154 HydrophobicContact CG2-CG2 4.42Å; L150-V154 HydrophobicContact CB-CB 4.34Å; L150-V154 HydrophobicContact CB-CG1 4.45Å; L150-V154 HydrophobicContact CD2-CG1 4.02Å; L151-V154 HydrophobicContact CB-CG2 4.27Å; L151-V154 WeakPolarHBondContact O-CB 3.46Å; L151-V154 PolarHBondContact O-N 2.85Å
155R98Very high85.8Confident142 Ų14286.4 Ų86.454%0.53646%0.464SS..EExtended strand (participates in β ladder)trans-128.5124179.2178.9167.266.5152.43.9110.8Y63 E64 I157Y63-R155 CarbonylContact C-O 3.38Å; Y63-R155 VanDerWaalsContact CA-O 3.26Å; Y63-R155 WeakPolarHBondContact CA-O 3.38Å; E64-R155 HydrophobicContact CB-CB 4.5Å; E64-R155 PolarHBondContact N-O 3.36Å; E64-R155 PolarHBondContact O-N 2.83Å; E64-R155 IonicContact OE1-CZ 3.56Å; E64-R155 IonicContact OE1-NE 3.15Å; E64-R155 PolarHBondContact OE1-NE 3.33Å; E64-R155 IonicContact OE1-NH2 3.58Å; E64-R155 PolarHBondContact OE1-NH2 2.78Å; E64-R155 IonicContact OE2-CZ 2.79Å; E64-R155 IonicContact OE2-NH2 3.07Å; E64-R155 PolarHBondContact OE2-NH2 2.83Å; R155-I157 HydrophobicContact CG-CG2 4.18Å; R155-I157 PolarHBondContact O-N 2.86Å
156C97.1Very high84.3Confident56 Ų5690.1 Ų90.138%0.37848%0.482SS..EExtended strand (participates in β ladder)trans-66.7124.5166.8-175.60000109.3Y63 L150Y63-C156 HydrophobicContact CD1-CB 4.07Å; Y63-C156 HydrophobicContact CE1-CB 3.77Å; L150-C156 HydrophobicContact CD1-CB 4.38Å
157I97.3Very high82.6Confident76 Ų7694.6 Ų94.639%0.3949%0.489SS..EExtended strand (participates in β ladder)trans-112.5-7179.659.8168.7000113.3R62 E64 E107 R155R62-I157 HydrophobicContact CB-CG1 4.13Å; R62-I157 HydrophobicContact CG-CD1 4.01Å; R62-I157 HydrophobicContact CG-CG1 4Å; R62-I157 WeakPolarHBondContact O-CG1 3.31Å; R62-I157 PolarHBondContact O-N 2.86Å; E64-I157 HydrophobicContact CB-CD1 4.32Å; E64-I157 HydrophobicContact CB-CG2 3.69Å; E107-I157 HydrophobicContact CG-CD1 4.07Å; R155-I157 HydrophobicContact CG-CG2 4.18Å; R155-I157 PolarHBondContact O-N 2.86Å
158G94.2Very high81.1Confident30 Ų3091.8 Ų91.831%0.30948%0.475SS..EExtended strand (participates in β ladder)trans174.3171.9172.700000114.1H61 R62H61-G158 WeakPolarHBondContact CA-O 3.35Å; R62-G158 PolarHBondContact N-O 3.47Å; R62-G158 PolarHBondContact O-N 3.1Å
159T91.5Very high79.7Confident85 Ų8597.7 Ų97.752%0.52151%0.505SS..EExtended strand (participates in β ladder)trans-105.3131.1169.352.90000109.3Q60 L161Q60-T159 CarbonylContact O-C 3.6Å; Q60-T159 WeakPolarHBondContact O-CA 3.37Å; T159-L161 PolarHBondContact O-N 2.78Å
160E83.8Confident78.7Confident74 Ų74101.3 Ų101.335%0.34651%0.512SS..  trans-80.8106.7169.7-154.169-145.900107.5Q60 R62 L109 L111 E162Q60-E160 PolarHBondContact O-N 3.48Å; R62-E160 IonicContact CZ-OE2 3.4Å; R62-E160 IonicContact NE-OE2 3.52Å; R62-E160 IonicContact NH2-OE1 3.64Å; R62-E160 IonicContact NH2-OE2 2.75Å; R62-E160 PolarHBondContact NH2-OE2 3.06Å; L109-E160 HydrophobicContact CD1-CB 4.09Å; L109-E160 HydrophobicContact CD1-CG 4.1Å; L109-E160 WeakPolarHBondContact CD1-OE2 3.5Å; L111-E160 HydrophobicContact CD2-CG 4.44Å; E160-E162 PolarHBondContact O-N 2.81Å
161L69.2Low77.5Confident151 Ų151106.9 Ų106.979%0.79154%0.536SS*.  trans-70.7113.9-177.2-69.3172.5000110T159 Y163T159-L161 PolarHBondContact O-N 2.78Å; L161-Y163 PolarHBondContact O-N 2.94Å
162E61Low76.5Confident114 Ų114109.2 Ų109.253%0.53356%0.564SS.*  trans-61.1123.6155.5-80.4178173.700107.7Q60 R143 E160 D164Q60-E162 PolarHBondContact NE2-OE1 3.33Å; Q60-E162 PolarHBondContact NE2-OE2 3.22Å; R143-E162 IonicContact CZ-OE2 3.7Å; R143-E162 IonicContact NH1-OE2 3.06Å; R143-E162 PolarHBondContact NH1-OE2 2.75Å; R143-E162 IonicContact NH2-OE2 3.8Å; R143-E162 PolarHBondContact NH2-OE2 2.75Å; E160-E162 PolarHBondContact O-N 2.81Å; E162-D164 VanDerWaalsContact C-N 3.32Å; E162-D164 PolarHBondContact O-N 2.93Å
163Y57.7Low75.2Confident211 Ų211112.5 Ų112.583%0.82758%0.577SS**  trans-71.594.7172.6-158.3-92.4000107.4L161 S165L161-Y163 PolarHBondContact O-N 2.94Å; Y163-S165 PolarHBondContact O-N 2.74Å; Y163-S165 PolarHBondContact O-OG 3.3Å
164D56.8Low73.6Confident86 Ų86122.7 Ų122.746%0.4663%0.625SS.*  trans-64.485.9-174.6-169.411.6000110.3E162 E166 Q167E162-D164 VanDerWaalsContact C-N 3.32Å; E162-D164 PolarHBondContact O-N 2.93Å; D164-E166 PolarHBondContact O-N 3.17Å; D164-E166 VanDerWaalsContact O-N 3.1Å; D164-Q167 PolarHBondContact O-N 2.76Å; D164-Q167 PolarHBondContact OD2-NE2 2.96Å
165S57.3Low72.4Confident87 Ų87128.1 Ų128.161%0.60865%0.652SS**G310 helixtrans-69.1-11.9-169.6-60.60000111.8Y163Y163-S165 PolarHBondContact O-N 2.74Å; Y163-S165 PolarHBondContact O-OG 3.3Å
166E55.9Low71Confident180 Ų180127.4 Ų127.484%0.84166%0.658SS**G310 helixtrans-79.8-14178.8-52.3-167.4-179.200112.7D164 S168D164-E166 PolarHBondContact O-N 3.17Å; D164-E166 VanDerWaalsContact O-N 3.1Å; E166-S168 VanDerWaalsContact C-N 3.3Å; E166-S168 PolarHBondContact O-N 3.1Å
167Q53.9Low69.6Low145 Ų145131.3 Ų131.368%0.67867%0.674SS**G310 helixtrans-89.924.6173.7-75.3-177.963.400114.2D164 D169D164-Q167 PolarHBondContact O-N 2.76Å; D164-Q167 PolarHBondContact OD2-NE2 2.96Å; Q167-D169 PolarHBondContact O-N 3.41Å
168S59Low67.9Low78 Ų78134.6 Ų134.655%0.54569%0.69SS.*  trans-7871171-75.40000111.8E166 W170E166-S168 VanDerWaalsContact C-N 3.3Å; E166-S168 PolarHBondContact O-N 3.1Å; S168-W170 PolarHBondContact O-N 2.8Å
169D64.3Low66.3Low145 Ų145141.1 Ų141.178%0.77571%0.714SS**  trans-68.840.3170.9-80.4-31.2000112.8Q167 Q171Q167-D169 PolarHBondContact O-N 3.41Å; D169-Q171 VanDerWaalsContact C-N 3.27Å; D169-Q171 PolarHBondContact O-N 3.28Å
170W72.8Confident64.6Low210 Ų210144.9 Ų144.980%0.79573%0.727SS**  trans-7280.7175.9-79.8108.7000110.8S168 G172S168-W170 PolarHBondContact O-N 2.8Å; W170-G172 PolarHBondContact O-N 2.84Å
171Q71.9Confident63.2Low177 Ų177149.9 Ų149.983%0.82775%0.754SS**  trans-71.1111.1158.5-54.7-161.719.100107.1D169D169-Q171 VanDerWaalsContact C-N 3.27Å; D169-Q171 PolarHBondContact O-N 3.28Å
172G73.9Confident62.8Low66 Ų66149.8 Ų149.868%0.6875%0.752SS**  trans-61.1164.5-175.500000113.3W170W170-G172 PolarHBondContact O-N 2.84Å
173F69.9Low62.9Low209 Ų209152.8 Ų152.892%0.91777%0.77SS**  trans-65.8134176.5-66.4-87.1000111.4
174D61.8Low63.4Low240 Ų240147.5 Ų147.5100%1.28377%0.765SS**  trans-82.40172.4-158.540.9000110.9

Retrieved 174 of 174 residues in 178.9 ms (Link to these results)