A0A060XY83_ONCMY Loading...

Heat shock protein b8

AlphaFold DB , UniProt , Accession A0A060XY83, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110536389, Length 215 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M39Very low43.6Very low250 Ų250151.3 Ų151.3100%1.23281%0.81SS**  0114.20-93.2171.2171.100106.7
2A43.8Very low44.1Very low91 Ų91144.1 Ų144.175%0.75280%0.798SS**  cis-161.4129.4-1.600000103.3
3E43.7Very low44.1Very low174 Ų174140.8 Ų140.881%0.81379%0.791SS**  53.1108.680.4-65.4-157.4145.600115.1
4D42.3Very low44.2Very low120 Ų120148.3 Ų148.364%0.64280%0.801SS**  80.9118.5128.6-58.5-29.5000123.8
5F51.1Low44.3Very low176 Ų176149.7 Ų149.777%0.77280%0.8SS**  44.2116.9128.7-86-94000121.3
6Y41.7Very low44.7Very low227 Ų227154.3 Ų154.389%0.8980%0.803SS**  trans-135.4108.3134.7-64.7-78.9000107.4
7T43.2Very low45Very low104 Ų104149.5 Ų149.564%0.63879%0.791SS**  72.696.779-42.70000114.2
8L49.1Very low45.4Very low167 Ų167148.3 Ų148.387%0.87479%0.793SS**  56119.1120.7-130.1157.1000118.8
9G35.7Very low45.8Very low64 Ų64150.4 Ų150.466%0.6679%0.789SS**  trans16382.4159.100000116.7
10T46.7Very low45.9Very low122 Ų122147.5 Ų147.575%0.74877%0.774SS**  42.1113.3129.5-380000119.3
11L42.9Very low46.3Very low169 Ų169145.9 Ų145.989%0.88577%0.773SS**  -166.7139.6108.4-127.798.5000111
12G49.6Very low47Very low65 Ų65142.6 Ų142.667%0.6775%0.751SS**  trans-60.6152.4-173.800000114.6
13S45.1Very low47.6Very low102 Ų102148.5 Ų148.571%0.71375%0.754SS**  trans-153.184146.6-78.50000106.9Q15S13-Q15 PolarHBondContact O-N 2.79Å
14R45.5Very low47.6Very low245 Ų245146.7 Ų146.793%0.92575%0.746SS**  trans-56.294.8153.1-83.9-179.1168.9-110.42.1105.6R16R14-R16 PolarHBondContact O-N 3.06Å
15Q44.9Very low47.8Very low169 Ų169145 Ų14579%0.7974%0.743SS**  trans-61.896.4162.9-72.7-70.2-42.300105S13 A17S13-Q15 PolarHBondContact O-N 2.79Å; Q15-A17 VanDerWaalsContact C-N 3.3Å; Q15-A17 PolarHBondContact O-N 3.17Å
16R50.4Low47.6Very low224 Ų224141.9 Ų141.985%0.84574%0.741SS**  trans-55.4106163.1-76-178.8174.5125-3.8104.2R14R14-R16 PolarHBondContact O-N 3.06Å
17A50.9Low48.1Very low73 Ų73136.2 Ų136.260%0.60373%0.734SS**  trans-43.2139.2159.200000107.3Q15 R19Q15-A17 VanDerWaalsContact C-N 3.3Å; Q15-A17 PolarHBondContact O-N 3.17Å; A17-R19 PolarHBondContact O-N 3.31Å
18P51.1Low48.3Very low127 Ų127136.6 Ų136.683%0.82573%0.732SS**  trans-54.1109.9176.123-30.9000106.4D20P18-D20 PolarHBondContact O-N 2.85Å
19R52.8Low48.1Very low189 Ų189133.9 Ų133.971%0.71373%0.733SS**  trans-61.3113.9171.6-84.1-164.8-179.8-174.82.9104.3A17 P21 E24A17-R19 PolarHBondContact O-N 3.31Å; R19-P21 WeakPolarHBondContact O-CD 3.44Å; R19-P21 VanDerWaalsContact O-N 3.12Å; R19-E24 IonicContact CZ-OE2 3.5Å; R19-E24 IonicContact NE-OE2 3.98Å; R19-E24 IonicContact NH1-OE1 3.88Å; R19-E24 IonicContact NH1-OE2 2.7Å; R19-E24 PolarHBondContact NH1-OE2 3.33Å
20D49.3Very low48.8Very low91 Ų91135.8 Ų135.849%0.48774%0.737SS.*  trans-50.7115.9165.7-177.6-13.8000107.5P18 F22 R23P18-D20 PolarHBondContact O-N 2.85Å; D20-F22 PolarHBondContact O-N 2.82Å; D20-F22 WeakPolarHBondContact OD1-CB 3.32Å; D20-F22 PolarHBondContact OD1-N 3.34Å; D20-R23 HydrophobicContact CB-CB 4.18Å; D20-R23 PolarHBondContact O-N 2.87Å; D20-R23 VanDerWaalsContact O-N 3.15Å
21P53.8Low49.2Very low115 Ų115138.5 Ų138.575%0.74773%0.733SS**THydrogen-bonded Turntrans-65.4-6.9-177.627.2-32.8000112.4R19R19-P21 WeakPolarHBondContact O-CD 3.44Å; R19-P21 VanDerWaalsContact O-N 3.12Å
22F54Low49.4Very low180 Ų180139.9 Ų139.979%0.78973%0.733SS**THydrogen-bonded Turntrans-97.6-2.6177.3-67.2-79.1000114.6D20D20-F22 PolarHBondContact O-N 2.82Å; D20-F22 WeakPolarHBondContact OD1-CB 3.32Å; D20-F22 PolarHBondContact OD1-N 3.34Å
23R54.9Low49.4Very low215 Ų215144.4 Ų144.481%0.81174%0.738SS**SBendtrans-96.6-0.2-172.1-160.4163-176179.92.6116.2D20D20-R23 HydrophobicContact CB-CB 4.18Å; D20-R23 PolarHBondContact O-N 2.87Å; D20-R23 VanDerWaalsContact O-N 3.15Å
24E45.5Very low49.2Very low136 Ų136144.9 Ų144.964%0.63673%0.733SS**  trans-129.883.6174.4-64.7-172.9132.800111.4R19R19-E24 IonicContact CZ-OE2 3.5Å; R19-E24 IonicContact NE-OE2 3.98Å; R19-E24 IonicContact NH1-OE1 3.88Å; R19-E24 IonicContact NH1-OE2 2.7Å; R19-E24 PolarHBondContact NH1-OE2 3.33Å
25S46.7Very low49.6Very low84 Ų84140 Ų14059%0.58773%0.725SS**  trans-124.696.6148.5460000108.7S27S25-S27 PolarHBondContact O-N 2.98Å
26P45.6Very low49.8Very low111 Ų111138.9 Ų138.972%0.72172%0.724SS**  trans-65.4129.2160-2.319.2000107
27S52.9Low49.6Very low108 Ų108136.4 Ų136.476%0.75572%0.72SS**  trans5866.3163.561.10000117.6S25S25-S27 PolarHBondContact O-N 2.98Å
28L46.3Very low49.5Very low113 Ų113136.4 Ų136.459%0.59273%0.727SS**  trans-116.430.1157-70.6-179.6000113.2S30 R31L28-S30 PolarHBondContact O-N 3.21Å; L28-R31 HydrophobicContact CD2-CG 4.25Å
29A44.7Very low49.4Very low109 Ų109136.6 Ų136.690%0.90172%0.719SS**THydrogen-bonded Turntrans-70.629.2159.900000112.6
30S51.6Low49.1Very low105 Ų105132.3 Ų132.373%0.73472%0.718SS**THydrogen-bonded Turntrans-15333.6-173.7-151.80000113.6L28L28-S30 PolarHBondContact O-N 3.21Å
31R54.2Low49.3Very low178 Ų178133.6 Ų133.667%0.67273%0.731SS**  trans-139.323.6165.6-65.9-165-179.9-154.5-2.8113.1L28L28-R31 HydrophobicContact CD2-CG 4.25Å
32F47.7Very low48.8Very low199 Ų199136.3 Ų136.387%0.87373%0.731SS**SBendtrans-83.7-1.8169.4-177.4-109.7000112.1
33M50.1Low48.5Very low160 Ų160132.8 Ų132.879%0.78873%0.727SS**  trans-143.973.8166.7-67.41739100107.5D35M33-D35 PolarHBondContact O-N 2.79Å
34D39.9Very low48.3Very low111 Ų111130.9 Ų130.959%0.59473%0.727SS**  trans-79.290151.6-101.9-86.5000105.5D36D34-D36 PolarHBondContact O-N 2.89Å
35D55.3Low48.5Very low144 Ų144131.7 Ų131.777%0.7774%0.736SS**  trans-74.962.6172.5-156.9-95.3000108.5M33M33-D35 PolarHBondContact O-N 2.79Å
36D47.6Very low48.7Very low144 Ų144136 Ų13677%0.7775%0.749SS**  trans-162.435.4171.5-133.6-56.2000113D34 G38D34-D36 PolarHBondContact O-N 2.89Å; D36-G38 PolarHBondContact O-N 3.31Å
37F46.4Very low49Very low173 Ų173134.6 Ų134.676%0.75974%0.741SS**  trans-87.193.2155.3-150.1-92.4000106M39F37-M39 HydrophobicContact CD1-CE 3.68Å; F37-M39 HydrophobicContact CD1-CG 3.93Å; F37-M39 HydrophobicContact CE1-CE 3.97Å; F37-M39 PolarHBondContact O-N 2.88Å
38G50Low48.7Very low73 Ų73136.9 Ų136.975%0.75374%0.742SS**  trans-58.367178.100000113.5D36 S40D36-G38 PolarHBondContact O-N 3.31Å; G38-S40 PolarHBondContact O-N 3.03Å
39M48.1Very low48.9Very low131 Ų131139 Ų13965%0.64575%0.754SS**  trans-73.7111.5154.5-58.9-166.7-176.800104.5F37F37-M39 HydrophobicContact CD1-CE 3.68Å; F37-M39 HydrophobicContact CD1-CG 3.93Å; F37-M39 HydrophobicContact CE1-CE 3.97Å; F37-M39 PolarHBondContact O-N 2.88Å
40S47.2Very low49.4Very low99 Ų99138.2 Ų138.269%0.69273%0.728SS**PPolyproline II helixtrans-47.2141.3166.4-54.80000108.5G38 F42G38-S40 PolarHBondContact O-N 3.03Å; S40-F42 PolarHBondContact O-N 2.77Å
41P52.8Low49.8Very low118 Ų118137.3 Ų137.377%0.76672%0.72SS**PPolyproline II helixtrans-49.3126.9171.722.7-32.3000106.7
42F44Very low49.9Very low171 Ų171132.3 Ų132.375%0.7572%0.723SS**PPolyproline II helixtrans-46.2129.9177.8-78.6-90.2000107.7S40 E44S40-F42 PolarHBondContact O-N 2.77Å; F42-E44 PolarHBondContact O-N 2.94Å; F42-E44 VanDerWaalsContact O-N 3.11Å
43P47.8Very low50.6Low107 Ų107132 Ų13270%0.69572%0.717SS**PPolyproline II helixtrans-50.9126.5174.3-2129.4000108D45 M46P43-D45 PolarHBondContact O-N 2.83Å; P43-M46 PolarHBondContact O-N 3.21Å
44E50.2Low50.8Low174 Ų174126.7 Ų126.781%0.81370%0.698SS**G310 helixtrans-59.43.1-175.7-149.379.6-158.900113.8F42 S47F42-E44 PolarHBondContact O-N 2.94Å; F42-E44 VanDerWaalsContact O-N 3.11Å; E44-S47 PolarHBondContact O-OG 2.91Å
45D50.1Low51.8Low154 Ų154129.8 Ų129.882%0.82470%0.701SS**G310 helixtrans-98.99.5-173.8-154.639.9000114P43P43-D45 PolarHBondContact O-N 2.83Å
46M49.2Very low51.3Low175 Ų175127.3 Ų127.386%0.86269%0.693SS**G310 helixtrans-105.625161.2-102.2-172.1-178.600111.9P43 M48P43-M46 PolarHBondContact O-N 3.21Å; M46-M48 PolarHBondContact O-N 3.14Å
47S53.5Low51.2Low80 Ų80126.1 Ų126.156%0.55970%0.696SS**  trans-72.174.9159.748.60000108.4E44 D49E44-S47 PolarHBondContact O-OG 2.91Å; S47-D49 PolarHBondContact O-N 2.88Å; S47-D49 VanDerWaalsContact O-N 3.08Å
48M46.6Very low51.3Low157 Ų157127.9 Ų127.977%0.77370%0.697SS**  trans-41.4123155.8-83.9163161.800106.8M46 W50M46-M48 PolarHBondContact O-N 3.14Å; M48-W50 PolarHBondContact O-N 2.77Å
49D50.8Low51.3Low158 Ų158133 Ų13385%0.84571%0.707SS**  trans-68.158.3177.7-49.4-73.7000109.6S47 P51S47-D49 PolarHBondContact O-N 2.88Å; S47-D49 VanDerWaalsContact O-N 3.08Å; D49-P51 WeakPolarHBondContact O-CD 3.49Å
50W54.3Low50.6Low91 Ų91132.2 Ų132.235%0.34571%0.714SS.*  trans-61.7128.7-174.464-89.7000105.8M48 G52 A54 R55M48-W50 PolarHBondContact O-N 2.77Å; W50-G52 VanDerWaalsContact CZ3-C 3.42Å; W50-G52 VanDerWaalsContact CZ3-CA 3.44Å; W50-A54 HydrophobicContact CD2-CB 4.05Å; W50-A54 HydrophobicContact CE3-CB 3.28Å; W50-A54 HydrophobicContact CZ3-CB 4.1Å; W50-R55 HydrophobicContact CE3-CG 4.49Å; W50-R55 VanDerWaalsContact CE3-N 3.26Å; W50-R55 HydrophobicContact CH2-CB 3.85Å; W50-R55 HydrophobicContact CH2-CG 2.87Å; W50-R55 HydrophobicContact CZ2-CB 4.11Å; W50-R55 HydrophobicContact CZ2-CG 2.92Å; W50-R55 HydrophobicContact CZ3-CB 4.13Å; W50-R55 HydrophobicContact CZ3-CG 3.62Å
51P59.6Low50.1Low87 Ų87133 Ų13357%0.56572%0.715SS**  trans-66.2143.2-172.6-20.430.7000110.9D49 W53 A54D49-P51 WeakPolarHBondContact O-CD 3.49Å; P51-W53 PolarHBondContact O-N 2.78Å; P51-A54 PolarHBondContact O-N 2.86Å; P51-A54 VanDerWaalsContact O-N 3.14Å
52G56.1Low49.4Very low73 Ų73139 Ų13975%0.75372%0.722SS**G310 helixtrans-30.8-18.4-171.300000121.3W50W50-G52 VanDerWaalsContact CZ3-C 3.42Å; W50-G52 VanDerWaalsContact CZ3-CA 3.44Å
53W63Low49.3Very low193 Ų193139.1 Ų139.173%0.73173%0.73SS**G310 helixtrans-81.4-17.1177.170.9-84.5000115.7P51P51-W53 PolarHBondContact O-N 2.78Å
54A53.5Low49Very low47 Ų47139.4 Ų139.439%0.38873%0.734SS.*G310 helixtrans-103.314.9178.600000115.9W50 P51 P56W50-A54 HydrophobicContact CD2-CB 4.05Å; W50-A54 HydrophobicContact CE3-CB 3.28Å; W50-A54 HydrophobicContact CZ3-CB 4.1Å; P51-A54 PolarHBondContact O-N 2.86Å; P51-A54 VanDerWaalsContact O-N 3.14Å; A54-P56 WeakPolarHBondContact O-CD 3.26Å
55R62Low48.5Very low177 Ų177135.5 Ų135.567%0.66873%0.732SS**  trans-74.3129.4165.7-71.4-154.3152.4158.7-7.5107.6W50 S57W50-R55 HydrophobicContact CE3-CG 4.49Å; W50-R55 VanDerWaalsContact CE3-N 3.26Å; W50-R55 HydrophobicContact CH2-CB 3.85Å; W50-R55 HydrophobicContact CH2-CG 2.87Å; W50-R55 HydrophobicContact CZ2-CB 4.11Å; W50-R55 HydrophobicContact CZ2-CG 2.92Å; W50-R55 HydrophobicContact CZ3-CB 4.13Å; W50-R55 HydrophobicContact CZ3-CG 3.62Å; R55-S57 PolarHBondContact O-N 2.96Å; R55-S57 VanDerWaalsContact O-N 3.12Å
56P45Very low48.2Very low91 Ų91132.9 Ų132.959%0.59172%0.723SS**  trans-62.9115.6150.627.1-28.2000107.1A54 R58A54-P56 WeakPolarHBondContact O-CD 3.26Å; P56-R58 HydrophobicContact CB-CG 4.42Å; P56-R58 PolarHBondContact O-N 2.9Å
57S45.8Very low47.8Very low120 Ų120134.8 Ų134.884%0.83973%0.727SS**  trans-62.382.8169.8-57.10000109.4R55R55-S57 PolarHBondContact O-N 2.96Å; R55-S57 VanDerWaalsContact O-N 3.12Å
58R47.8Very low47.3Very low209 Ų209136.9 Ų136.979%0.78974%0.737SS**  trans-88.3122.3167.9-66.6-70.1-168.7-117.80.5107P56 S60P56-R58 HydrophobicContact CB-CG 4.42Å; P56-R58 PolarHBondContact O-N 2.9Å; R58-S60 PolarHBondContact O-N 3.49Å
59L49.4Very low46.9Very low182 Ų182132.2 Ų132.295%0.95373%0.729SS**  trans-45.5118176.8-71.3101.7000111.3
60S34.8Very low46.2Very low113 Ų113131.4 Ų131.479%0.7973%0.73SS**  trans-116.8135.1162-1020000106.2R58R58-S60 PolarHBondContact O-N 3.49Å
61T34.9Very low46Very low117 Ų117135 Ų13572%0.71876%0.755SS**  cis-165.8141.8-0.4-48.70000104.3
62R39Very low45.2Very low243 Ų243142.1 Ų142.192%0.91777%0.771SS**  trans162.881.5139.9-88.2171-165.3-137.65.4110
63L42.5Very low44.7Very low174 Ų174145.3 Ų145.391%0.91178%0.775SS**  trans-127.194.4148.3-87.4158.1000106.5A65L63-A65 PolarHBondContact O-N 2.83Å; L63-A65 VanDerWaalsContact O-N 3.15Å
64S40.6Very low43.4Very low113 Ų113139.6 Ų139.679%0.7978%0.776SS**  trans-62.8104.9157.31650000106.7
65A39.3Very low42.9Very low92 Ų92147.4 Ų147.476%0.7680%0.802SS**  trans-86.6129.8161.300000108.3L63L63-A65 PolarHBondContact O-N 2.83Å; L63-A65 VanDerWaalsContact O-N 3.15Å
66P43.5Very low42.3Very low99 Ų99144.6 Ų144.664%0.64381%0.807SS**  -129.8100.2128.433.2-22.9000109.2T68P66-T68 VanDerWaalsContact C-N 3.33Å; P66-T68 PolarHBondContact O-N 2.77Å
67F42.4Very low42.8Very low214 Ų214145.6 Ų145.694%0.93981%0.813SS**  trans-85.886.5159.6-120.3-86.2000107.8
68T43.2Very low43.1Very low125 Ų125146.3 Ų146.377%0.76781%0.813SS**  trans-86.3113.1157.751.40000108.2P66P66-T68 VanDerWaalsContact C-N 3.33Å; P66-T68 PolarHBondContact O-N 2.77Å
69G37.3Very low42.6Very low59 Ų59148.1 Ų148.161%0.60882%0.82SS**  trans71.5131.9139.800000120.7
70T36.7Very low42.5Very low141 Ų141143.9 Ų143.987%0.86581%0.811SS**  trans99.5112.9137.7-41.30000118
71L49.4Very low42.9Very low166 Ų166143.6 Ų143.687%0.86981%0.809SS**  trans-57.6124.2163.9-64.9158.7000111.2
72R42.9Very low43.3Very low237 Ų237144.3 Ų144.389%0.89481%0.814SS**  trans-154.6142.3141.2-74.2-155179.4-92.9-4.1111.9
73T44.9Very low43.9Very low139 Ų139136.1 Ų136.185%0.85381%0.805SS**  trans-53146171.857.60000114.1
74G36.6Very low43.9Very low73 Ų73136.6 Ų136.675%0.75380%0.802SS**  trans144.2105.2156.600000114.8
75F42.8Very low44.4Very low211 Ų211136.6 Ų136.693%0.92580%0.799SS**  trans-65.2143.6150.9-75.4-87.6000108.1
76P50.1Low45.1Very low118 Ų118138.1 Ų138.177%0.76680%0.802SS**  -157-156.388.439.3-15.5000113.1
77P54.2Low45.2Very low113 Ų113139.7 Ų139.773%0.73481%0.809SS**  -116.3-178.4-86.136.9-19.6000113
78T51.8Low45.3Very low135 Ų135139.1 Ų139.183%0.82880%0.802SS**  trans-42.2142174.260.70000116.1
79R37.7Very low45.5Very low246 Ų246137.1 Ų137.193%0.92879%0.793SS**  trans-153.2111.9140.8-167.2168.6169.9-171.9-3.9111.3
80A47.2Very low46Very low94 Ų94138.7 Ų138.778%0.77779%0.791SS**  trans-69.4145.916600000110.7
81S43.1Very low46.5Very low107 Ų107142.7 Ų142.775%0.74879%0.79SS**  trans177.4143.9137.11800000110.9
82T44.3Very low46.3Very low132 Ų132144 Ų14481%0.8179%0.785SS**  trans90.696.1159.2-21.40000114.7
83G50.6Low46.7Very low71 Ų71137.2 Ų137.273%0.73277%0.774SS**  trans-68.5147.7179.400000113.4
84Q44.2Very low46.6Very low183 Ų183138.4 Ų138.486%0.85577%0.77SS**  trans-146.7126.9134.1-71.1-157.7-37.200106.7
85P51Low47.1Very low113 Ų113139.2 Ų139.273%0.73476%0.764SS**  trans-65.7136.8162.827.8-29.4000107.4V87P85-V87 PolarHBondContact O-N 3.47Å
86P54Low47.5Very low125 Ų125134.6 Ų134.681%0.81276%0.756SS**  trans-61114.6172.625.7-31.3000107.2Y88P86-Y88 PolarHBondContact O-N 3.18Å
87V45.6Very low47.8Very low132 Ų132140.3 Ų140.380%0.876%0.762SS**  trans-52.4115.1165.9-74.30000106.7P85 S89P85-V87 PolarHBondContact O-N 3.47Å; V87-S89 PolarHBondContact O-N 2.94Å
88Y42.8Very low47.6Very low202 Ų202140.3 Ų140.379%0.79276%0.764SS**  trans-66.782.4164.3-169.5-92000105.4P86 T90P86-Y88 PolarHBondContact O-N 3.18Å; Y88-T90 VanDerWaalsContact C-N 3.26Å; Y88-T90 PolarHBondContact O-N 2.81Å
89S47.9Very low47.8Very low82 Ų82137.5 Ų137.557%0.57375%0.751SS**  trans-64.4101.8166.4179.90000104.7V87 R91V87-S89 PolarHBondContact O-N 2.94Å; S89-R91 PolarHBondContact O-N 2.79Å
90T48Very low48.7Very low93 Ų93129.8 Ų129.857%0.57173%0.732SS**  trans-54.284.5168.6-460000107.8Y88 Y92Y88-T90 VanDerWaalsContact C-N 3.26Å; Y88-T90 PolarHBondContact O-N 2.81Å; T90-Y92 HydrophobicContact CG2-CD2 3.66Å; T90-Y92 HydrophobicContact CG2-CG 4.49Å; T90-Y92 PolarHBondContact O-N 3.2Å
91R47.9Very low48.9Very low224 Ų224132 Ų13285%0.84574%0.736SS**  trans-77.357.2167.5-57.1-166.9-163.8-176.15.5108.7S89 S93S89-R91 PolarHBondContact O-N 2.79Å; R91-S93 PolarHBondContact O-N 3.39Å
92Y45.6Very low49.8Very low193 Ų193129.7 Ų129.776%0.75771%0.714SS**  trans-81.859.2148.7-83.4-89.6000107T90 E94T90-Y92 HydrophobicContact CG2-CD2 3.66Å; T90-Y92 HydrophobicContact CG2-CG 4.49Å; T90-Y92 PolarHBondContact O-N 3.2Å; Y92-E94 PolarHBondContact O-N 2.81Å
93S50Low50.8Low96 Ų96126.7 Ų126.767%0.67170%0.695SS**  trans-8586.4148.6-172.50000103.1R91 S95R91-S93 PolarHBondContact O-N 3.39Å; S93-S95 PolarHBondContact O-N 3.49Å
94E44.1Very low51.7Low164 Ų164129.7 Ų129.777%0.76670%0.702SS**  trans-61.787.3166.6-168.3168.3114.900105.6Y92 P96Y92-E94 PolarHBondContact O-N 2.81Å; E94-P96 WeakPolarHBondContact O-CD 3.08Å; E94-P96 VanDerWaalsContact O-N 3.1Å
95S46.7Very low53.2Low89 Ų89124.8 Ų124.862%0.62270%0.7SS**  trans-55.2118.7166.4-61.90000104.7S93 R97S93-S95 PolarHBondContact O-N 3.49Å; S95-R97 PolarHBondContact O-N 2.84Å
96P51.4Low54.8Low115 Ų115124.7 Ų124.775%0.74769%0.69SS**  trans-54.9116.3178.519.9-28.3000105.3E94 S98E94-P96 WeakPolarHBondContact O-CD 3.08Å; E94-P96 VanDerWaalsContact O-N 3.1Å; P96-S98 VanDerWaalsContact C-N 3.27Å; P96-S98 PolarHBondContact O-N 2.8Å
97R55.2Low56.4Low238 Ų238121.8 Ų121.890%0.89867%0.671SS**  trans-55.6102178.3-73.1179.4173.5-160.4-1.7105.2S95 S99S95-R97 PolarHBondContact O-N 2.84Å; R97-S99 PolarHBondContact O-N 3.11Å
98S50.6Low58.7Low112 Ų112115.9 Ų115.978%0.78363%0.634SS**  trans-54.3110.4177.451.10000106.1P96P96-S98 VanDerWaalsContact C-N 3.27Å; P96-S98 PolarHBondContact O-N 2.8Å
99S55Low61.2Low77 Ų77110.6 Ų110.654%0.53862%0.615SS.*  trans-51.7143.3168.242.90000107.7R97 T101R97-S99 PolarHBondContact O-N 3.11Å; S99-T101 PolarHBondContact O-N 3.4Å
100P57.3Low63.5Low84 Ų84108 Ų10855%0.54560%0.596SS.*  trans-49.2130176.721.9-32.6000109.1Q102P100-Q102 PolarHBondContact O-N 2.79Å
101T52Low65.8Low139 Ų139105.9 Ų105.985%0.85358%0.584SS**  trans-55106.9177.3-55.30000108.1S99 T103S99-T101 PolarHBondContact O-N 3.4Å; T101-T103 PolarHBondContact O-N 2.99Å
102Q61.9Low68.2Low60 Ų6095.3 Ų95.328%0.2854%0.544SS..PPolyproline II helixtrans-74.7122.8-179.5-62.3-172.6100.500108.4P100 D160P100-Q102 PolarHBondContact O-N 2.79Å; Q102-D160 PolarHBondContact NE2-OD2 3Å
103T64.1Low70.6Confident69 Ų6991.1 Ų91.142%0.42354%0.535SS..PPolyproline II helixtrans-72.8139.4169.547.10000108.6T101 G105 E106T101-T103 PolarHBondContact O-N 2.99Å; T103-G105 PolarHBondContact O-N 2.85Å; T103-G105 VanDerWaalsContact O-N 3.15Å; T103-E106 PolarHBondContact O-N 2.83Å; T103-E106 VanDerWaalsContact OG1-CB 3.28Å; T103-E106 WeakPolarHBondContact OG1-CB 3.48Å; T103-E106 PolarHBondContact OG1-OE2 2.92Å
104P69.9Low72.8Confident134 Ų13486.7 Ų86.787%0.8750%0.504SS*.THydrogen-bonded Turntrans-62.3120.8177.823.4-30.9000109.8
105G75.7Confident75.3Confident79 Ų7984.8 Ų84.881%0.81450%0.495SS*.THydrogen-bonded Turntrans101.5-9.8176.600000116T103T103-G105 PolarHBondContact O-N 2.85Å; T103-G105 VanDerWaalsContact O-N 3.15Å
106E84.4Confident77.6Confident112 Ų11282.6 Ų82.652%0.52348%0.479SS..SBendtrans-87.9139.3174-161.7171.6169.300110.7T103 Q182T103-E106 PolarHBondContact O-N 2.83Å; T103-E106 VanDerWaalsContact OG1-CB 3.28Å; T103-E106 WeakPolarHBondContact OG1-CB 3.48Å; T103-E106 PolarHBondContact OG1-OE2 2.92Å; E106-Q182 PolarHBondContact O-NE2 3.01Å
107P88.6Confident79.8Confident63 Ų6378.4 Ų78.441%0.40945%0.45SS..PPolyproline II helixtrans-59.5146.6174.125.4-35000111K109 A180P107-K109 PolarHBondContact O-N 3.34Å; P107-A180 CarbonylContact C-O 3.56Å; P107-A180 WeakPolarHBondContact CA-O 3.28Å; P107-A180 WeakPolarHBondContact CB-O 3.5Å
108W93.5Very high81.7Confident9 Ų972.1 Ų72.13%0.03443%0.429CS..EExtended strand (participates in β ladder)trans-61.3130.6169.5172.576.2000108.9V110 V131 I155 I157 V161 I178 E179 A180W108-V110 HydrophobicContact CD2-CG2 4.49Å; W108-V110 HydrophobicContact CH2-CG2 4.18Å; W108-V110 HydrophobicContact CZ2-CG2 3.51Å; W108-V131 HydrophobicContact CH2-CG2 4.03Å; W108-V131 HydrophobicContact CZ3-CG2 4.33Å; W108-I155 HydrophobicContact CH2-CG2 4.08Å; W108-I155 HydrophobicContact CZ2-CG2 3.75Å; W108-I157 HydrophobicContact CH2-CG1 4.2Å; W108-V161 HydrophobicContact CB-CG1 4.13Å; W108-V161 HydrophobicContact CB-CG2 3.55Å; W108-V161 HydrophobicContact CD2-CG1 4.31Å; W108-V161 HydrophobicContact CD2-CG2 4.49Å; W108-V161 HydrophobicContact CE3-CG1 4.18Å; W108-V161 HydrophobicContact CG-CG1 4.34Å; W108-V161 HydrophobicContact CG-CG2 3.82Å; W108-I178 HydrophobicContact CH2-CG2 4.16Å; W108-I178 HydrophobicContact CZ3-CG2 3.73Å; W108-E179 CarbonylContact O-C 3.47Å; W108-E179 WeakPolarHBondContact O-CA 3.45Å; W108-A180 HydrophobicContact CE3-CB 3.65Å; W108-A180 HydrophobicContact CZ3-CB 4.25Å; W108-A180 PolarHBondContact N-O 3.27Å; W108-A180 PolarHBondContact O-N 2.66Å
109K95.1Very high83.9Confident90 Ų9071 Ų7139%0.39142%0.419SS..EExtended strand (participates in β ladder)trans-139.9134.4-174.9-176.3168.8-179.6146.20112.4P107 I177 I178 E179P107-K109 PolarHBondContact O-N 3.34Å; K109-I177 HydrophobicContact CD-CG2 4.36Å; K109-I177 HydrophobicContact CG-CG2 4.25Å; K109-I178 CarbonylContact C-O 3.49Å; K109-I178 VanDerWaalsContact CA-O 3.32Å; K109-I178 WeakPolarHBondContact CA-O 3.4Å; K109-E179 HydrophobicContact CB-CG 4.16Å; K109-E179 HydrophobicContact CD-CG 4.1Å; K109-E179 WeakPolarHBondContact CD-OE1 3.23Å; K109-E179 VanDerWaalsContact CE-OE1 3.23Å; K109-E179 WeakPolarHBondContact CE-OE1 3.44Å; K109-E179 HydrophobicContact CG-CG 3.86Å; K109-E179 IonicContact NZ-OE1 2.71Å; K109-E179 PolarHBondContact NZ-OE1 2.97Å
110V95.9Very high85.8Confident29 Ų2974.1 Ų74.118%0.17643%0.425CS..EExtended strand (participates in β ladder)trans-135.8134.5175.7-179.10000110.5W108 V112 I155 I178W108-V110 HydrophobicContact CD2-CG2 4.49Å; W108-V110 HydrophobicContact CH2-CG2 4.18Å; W108-V110 HydrophobicContact CZ2-CG2 3.51Å; V110-V112 HydrophobicContact CG1-CG2 4.42Å; V110-I155 HydrophobicContact CG1-CD1 3.82Å; V110-I155 HydrophobicContact CG1-CG1 4.47Å; V110-I155 HydrophobicContact CG1-CG2 4.4Å; V110-I155 HydrophobicContact CG2-CG2 4.18Å; V110-I178 PolarHBondContact N-O 3.11Å; V110-I178 PolarHBondContact O-N 3.15Å
111C96.8Very high87.7Confident47 Ų4772 Ų7232%0.31841%0.408SS..EExtended strand (participates in β ladder)trans-106.2137.7176.2-59.20000111.2V175 L176C111-V175 HydrophobicContact CB-CG1 3.97Å; C111-L176 CarbonylContact C-O 3.57Å; C111-L176 WeakPolarHBondContact CA-O 3.3Å
112V97.3Very high89.9Confident2 Ų266.8 Ų66.81%0.01237%0.374CS..EExtended strand (participates in β ladder)trans-131.9120.7178.9-172.90000109.2V110 V114 F151 K153 I155 L176 I178V110-V112 HydrophobicContact CG1-CG2 4.42Å; V112-V114 HydrophobicContact CG1-CG1 3.95Å; V112-V114 PolarHBondContact O-N 2.91Å; V112-F151 HydrophobicContact CG1-CE1 4.07Å; V112-F151 HydrophobicContact CG1-CZ 3.64Å; V112-K153 HydrophobicContact CB-CD 4.48Å; V112-K153 HydrophobicContact CG1-CD 3.63Å; V112-K153 HydrophobicContact CG2-CD 4.04Å; V112-I155 HydrophobicContact CG2-CD1 3.83Å; V112-L176 HydrophobicContact CB-CB 4.3Å; V112-L176 PolarHBondContact N-O 2.73Å; V112-L176 PolarHBondContact O-N 3.2Å; V112-I178 HydrophobicContact CG2-CD1 4.28Å
113N96.9Very high91.6Very high105 Ų10567.2 Ų67.256%0.56138%0.379SS*.EExtended strand (participates in β ladder)trans-72.7122.2172.1-174.3-3.4000109.8H115 G174N113-H115 WeakPolarHBondContact OD1-CB 3.07Å; N113-H115 PolarHBondContact OD1-CD2 2.92Å; N113-H115 PolarHBondContact OD1-N 3.01Å; N113-H115 VanDerWaalsContact OD1-N 3.11Å; N113-G174 PolarHBondContact OD1-O 3.33Å
114V97.3Very high93.2Very high3 Ų366.9 Ų66.92%0.01837%0.373CS..  trans-131.819.7-179.3-64.30000112V112 S116 F117 L122 F151 L170 G174 L176V112-V114 HydrophobicContact CG1-CG1 3.95Å; V112-V114 PolarHBondContact O-N 2.91Å; V114-S116 PolarHBondContact O-N 2.75Å; V114-F117 PolarHBondContact O-N 2.75Å; V114-L122 HydrophobicContact CB-CD1 4.11Å; V114-L122 HydrophobicContact CB-CD2 4.22Å; V114-L122 HydrophobicContact CG1-CD2 4.28Å; V114-L122 HydrophobicContact CG2-CD1 3.77Å; V114-F151 HydrophobicContact CG1-CE1 4.1Å; V114-L170 HydrophobicContact CG2-CD1 3.53Å; V114-G174 CarbonylContact C-O 3.54Å; V114-G174 VanDerWaalsContact CG2-O 3.3Å; V114-G174 WeakPolarHBondContact CG2-O 3.43Å; V114-G174 PolarHBondContact N-O 2.93Å; V114-L176 HydrophobicContact CG1-CB 4.28Å; V114-L176 HydrophobicContact CG2-CB 3.88Å
115H96.5Very high94.5Very high125 Ų12566 Ų6658%0.57936%0.356SS*.THydrogen-bonded Turntrans-55.6-19.9-172.88889.7000115.7N113 F117 G174N113-H115 WeakPolarHBondContact OD1-CB 3.07Å; N113-H115 PolarHBondContact OD1-CD2 2.92Å; N113-H115 PolarHBondContact OD1-N 3.01Å; N113-H115 VanDerWaalsContact OD1-N 3.11Å; H115-F117 VanDerWaalsContact C-N 3.26Å; H115-F117 PolarHBondContact O-N 2.97Å; H115-G174 PolarHBondContact N-O 3.43Å
116S94.6Very high95.5Very high42 Ų4265.2 Ų65.229%0.29434%0.335SS..THydrogen-bonded Turntrans-82-0.8179-73.60000113.8V114V114-S116 PolarHBondContact O-N 2.75Å
117F96.9Very high95.9Very high27 Ų2766.6 Ų66.612%0.11834%0.34CS..SBendtrans-127.1145.5-175.3-62.5-89.6000110.4V114 H115 L122 H137 K149 F151V114-F117 PolarHBondContact O-N 2.75Å; H115-F117 VanDerWaalsContact C-N 3.26Å; H115-F117 PolarHBondContact O-N 2.97Å; F117-L122 HydrophobicContact CB-CD2 3.75Å; F117-L122 HydrophobicContact CB-CG 4.19Å; F117-L122 HydrophobicContact CG-CD2 4.15Å; F117-H137 HydrophobicContact CD1-CB 3.76Å; F117-H137 HydrophobicContact CE1-CB 3.86Å; F117-K149 HydrophobicContact CE1-CB 4.1Å; F117-K149 HydrophobicContact CZ-CB 3.96Å; F117-F151 HydrophobicContact CD2-CB 4.44Å; F117-F151 HydrophobicContact CE1-CB 4.23Å; F117-F151 HydrophobicContact CE2-CB 3.54Å; F117-F151 HydrophobicContact CE2-CG 4.23Å; F117-F151 HydrophobicContact CZ-CB 3.42Å; F117-F151 VanDerWaalsContact CZ-CB 3.42Å
118K95.4Very high96.2Very high107 Ų10769.1 Ų69.147%0.46535%0.35SS..  trans-78.2155.2171.9-59.8-177.4-173.7170.10110.7E120 E121K118-E120 HydrophobicContact CB-CG 4.23Å; K118-E120 WeakPolarHBondContact CB-OE1 3.44Å; K118-E120 WeakPolarHBondContact CD-OE1 3.34Å; K118-E120 PolarHBondContact O-N 2.78Å; K118-E121 HydrophobicContact CB-CG 4.12Å; K118-E121 PolarHBondContact N-OE2 2.92Å; K118-E121 WeakPolarHBondContact O-CB 3.49Å; K118-E121 PolarHBondContact O-N 2.89Å
119P96Very high96.2Very high87 Ų8770.5 Ų70.557%0.56537%0.367SS*.G310 helixtrans-54-39.4178.1-21.830.5000113E121 L122 L170P119-E121 VanDerWaalsContact C-N 3.25Å; P119-E121 PolarHBondContact O-N 3.09Å; P119-L122 PolarHBondContact O-N 2.82Å; P119-L170 HydrophobicContact CB-CD2 3.88Å; P119-L170 HydrophobicContact CG-CD2 3.7Å
120E96.3Very high96.3Very high143 Ų14368.9 Ų68.967%0.66836%0.36SS*.G310 helixtrans-69.3-17.4178.662.7-91.2-162.700114.7K118K118-E120 HydrophobicContact CB-CG 4.23Å; K118-E120 WeakPolarHBondContact CB-OE1 3.44Å; K118-E120 WeakPolarHBondContact CD-OE1 3.34Å; K118-E120 PolarHBondContact O-N 2.78Å
121E96.8Very high96.3Very high41 Ų4167.5 Ų67.519%0.19235%0.352CS..G310 helixtrans-89.3-10.3179.9-65.6171.8166.500112.5K118 P119 G135 K136 H137K118-E121 HydrophobicContact CB-CG 4.12Å; K118-E121 PolarHBondContact N-OE2 2.92Å; K118-E121 WeakPolarHBondContact O-CB 3.49Å; K118-E121 PolarHBondContact O-N 2.89Å; P119-E121 VanDerWaalsContact C-N 3.25Å; P119-E121 PolarHBondContact O-N 3.09Å; E121-G135 WeakPolarHBondContact O-CA 3.28Å; E121-K136 WeakPolarHBondContact CB-O 3.28Å; E121-K136 PolarHBondContact O-N 3.03Å; E121-H137 VanDerWaalsContact CD-ND1 3.26Å; E121-H137 IonicContact OE1-CE1 3.68Å; E121-H137 IonicContact OE1-CG 3.75Å; E121-H137 IonicContact OE1-ND1 2.77Å; E121-H137 PolarHBondContact OE1-ND1 2.86Å; E121-H137 WeakPolarHBondContact OE2-CB 3.29Å; E121-H137 IonicContact OE2-CG 3.57Å; E121-H137 IonicContact OE2-ND1 3.03Å; E121-H137 PolarHBondContact OE2-ND1 2.85Å
122L97.8Very high96.4Very high28 Ų2868.6 Ų68.615%0.14735%0.352CS..EExtended strand (participates in β ladder)trans-91.3141-177.2-64.3175.1000111.5V114 F117 P119 S134 L170V114-L122 HydrophobicContact CB-CD1 4.11Å; V114-L122 HydrophobicContact CB-CD2 4.22Å; V114-L122 HydrophobicContact CG1-CD2 4.28Å; V114-L122 HydrophobicContact CG2-CD1 3.77Å; F117-L122 HydrophobicContact CB-CD2 3.75Å; F117-L122 HydrophobicContact CB-CG 4.19Å; F117-L122 HydrophobicContact CG-CD2 4.15Å; P119-L122 PolarHBondContact O-N 2.82Å; L122-S134 CarbonylContact C-O 3.6Å; L122-S134 WeakPolarHBondContact CA-O 3.44Å; L122-L170 HydrophobicContact CD1-CD2 4.27Å
123N97.8Very high96.4Very high70 Ų7068.5 Ų68.537%0.37435%0.352SS..EExtended strand (participates in β ladder)trans-133.7126.8175.1-176.3-91.6000110.3K125 S134N123-K125 WeakPolarHBondContact OD1-CD 3.48Å; N123-K125 WeakPolarHBondContact OD1-CE 3.45Å; N123-K125 WeakPolarHBondContact OD1-CG 3.17Å; N123-S134 PolarHBondContact N-O 3.43Å; N123-S134 PolarHBondContact O-N 2.9Å; N123-S134 PolarHBondContact O-OG 3.24Å
124I97.2Very high96.5Very high61 Ų6164.8 Ų64.831%0.31333%0.334SS..EExtended strand (participates in β ladder)trans-117.4129.6-177.7-55.1169.7000108.2V131 E132 V133 A168 L176I124-V131 HydrophobicContact CG2-CG1 3.73Å; I124-E132 CarbonylContact C-O 3.47Å; I124-E132 WeakPolarHBondContact CA-O 3.32Å; I124-V133 HydrophobicContact CG1-CG1 4.42Å; I124-A168 HydrophobicContact CD1-CB 3.5Å; I124-A168 VanDerWaalsContact CD1-CB 3.5Å; I124-L176 HydrophobicContact CD1-CD1 3.76Å; I124-L176 HydrophobicContact CD1-CD2 3.7Å; I124-L176 HydrophobicContact CD1-CG 4.29Å; I124-L176 HydrophobicContact CG1-CD2 4.21Å
125K96.9Very high96.5Very high117 Ų11765 Ų6551%0.50934%0.336SS..EExtended strand (participates in β ladder)trans-132.9131.7179.8-71.7171.6177.2159.60110.2N123 V131 E132N123-K125 WeakPolarHBondContact OD1-CD 3.48Å; N123-K125 WeakPolarHBondContact OD1-CE 3.45Å; N123-K125 WeakPolarHBondContact OD1-CG 3.17Å; K125-V131 CarbonylContact O-C 3.56Å; K125-V131 WeakPolarHBondContact O-CA 3.37Å; K125-E132 PolarHBondContact N-O 3.19Å; K125-E132 PolarHBondContact O-N 3Å
126T97Very high96.5Very high61 Ų6165.7 Ų65.737%0.37434%0.338SS..EExtended strand (participates in β ladder)trans-101.1116.3169.4-56.30000108.5F130 I157 P163 V166T126-F130 CarbonylContact C-O 3.5Å; T126-F130 WeakPolarHBondContact CA-O 3.44Å; T126-I157 HydrophobicContact CG2-CD1 3.66Å; T126-P163 HydrophobicContact CG2-CB 3.96Å; T126-V166 HydrophobicContact CG2-CG2 4.47Å
127K94.2Very high96.6Very high141 Ų14164.7 Ų64.761%0.61333%0.328SS*.EExtended strand (participates in β ladder)trans-154.6143.9-179.6-160.1-161.1169.3-152.90111.1G129 F130K127-G129 PolarHBondContact O-N 2.87Å; K127-G129 VanDerWaalsContact O-N 3.14Å; K127-F130 PolarHBondContact N-O 3.29Å; K127-F130 PolarHBondContact O-N 2.87Å
128D93.8Very high96.6Very high116 Ų11668.4 Ų68.462%0.6235%0.346SS*.THydrogen-bonded Turntrans56.132170.8-52.3-36.3000113.5F130D128-F130 WeakPolarHBondContact O-CD2 3.32Å; D128-F130 WeakPolarHBondContact O-CE2 3.45Å
129G93.8Very high96.5Very high39 Ų3968.3 Ų68.340%0.40235%0.347SS..THydrogen-bonded Turntrans78.716.3-176.600000114.7K127 I157K127-G129 PolarHBondContact O-N 2.87Å; K127-G129 VanDerWaalsContact O-N 3.14Å; G129-I157 WeakPolarHBondContact O-CB 3.41Å; G129-I157 PolarHBondContact O-N 2.88Å
130F96.6Very high96.4Very high56 Ų5671.9 Ų71.925%0.24635%0.354CS..EExtended strand (participates in β ladder)trans-128.5149.6177.1-61.4-96.3000112.1T126 K127 D128 K154 I155 Q156T126-F130 CarbonylContact C-O 3.5Å; T126-F130 WeakPolarHBondContact CA-O 3.44Å; K127-F130 PolarHBondContact N-O 3.29Å; K127-F130 PolarHBondContact O-N 2.87Å; D128-F130 WeakPolarHBondContact O-CD2 3.32Å; D128-F130 WeakPolarHBondContact O-CE2 3.45Å; F130-K154 HydrophobicContact CB-CD 4.27Å; F130-K154 VanDerWaalsContact CB-CE 3.46Å; F130-K154 HydrophobicContact CB-CG 3.77Å; F130-K154 HydrophobicContact CD1-CD 3.99Å; F130-K154 HydrophobicContact CD1-CG 3.59Å; F130-K154 HydrophobicContact CE1-CD 4.48Å; F130-K154 HydrophobicContact CE1-CG 4.4Å; F130-K154 HydrophobicContact CG-CD 4.06Å; F130-K154 HydrophobicContact CG-CG 3.85Å; F130-I155 CarbonylContact C-O 3.53Å; F130-I155 WeakPolarHBondContact CA-O 3.43Å; F130-I155 WeakPolarHBondContact CB-O 3.39Å; F130-Q156 VanDerWaalsContact CD1-CA 3.46Å; F130-Q156 HydrophobicContact CD1-CB 3.82Å; F130-Q156 HydrophobicContact CD1-CG 4.24Å; F130-Q156 HydrophobicContact CE1-CB 3.63Å; F130-Q156 HydrophobicContact CE1-CG 3.84Å; F130-Q156 HydrophobicContact CZ-CG 4.24Å
131V97.8Very high96.3Very high0 Ų069.8 Ų69.80%034%0.344CS..EExtended strand (participates in β ladder)trans-97.6118.1160.2-173.80000108.2W108 I124 K125 V133 I155 I157 V166 I178W108-V131 HydrophobicContact CH2-CG2 4.03Å; W108-V131 HydrophobicContact CZ3-CG2 4.33Å; I124-V131 HydrophobicContact CG2-CG1 3.73Å; K125-V131 CarbonylContact O-C 3.56Å; K125-V131 WeakPolarHBondContact O-CA 3.37Å; V131-V133 HydrophobicContact CG1-CG2 4.46Å; V131-I155 HydrophobicContact CB-CB 4.49Å; V131-I155 PolarHBondContact N-O 2.77Å; V131-I155 PolarHBondContact O-N 2.76Å; V131-I157 HydrophobicContact CG2-CD1 3.68Å; V131-I157 HydrophobicContact CG2-CG1 3.79Å; V131-V166 HydrophobicContact CG2-CG1 3.99Å; V131-V166 HydrophobicContact CG2-CG2 4.31Å; V131-I178 HydrophobicContact CG1-CD1 3.96Å; V131-I178 HydrophobicContact CG1-CG2 4.35Å; V131-I178 HydrophobicContact CG2-CG2 4.36Å
132E97.8Very high95.9Very high70 Ų7077.8 Ų77.833%0.32738%0.381SS..EExtended strand (participates in β ladder)trans-102.6119.9174.1-172.8178.8127.100109.4I124 K125 T152I124-E132 CarbonylContact C-O 3.47Å; I124-E132 WeakPolarHBondContact CA-O 3.32Å; K125-E132 PolarHBondContact N-O 3.19Å; K125-E132 PolarHBondContact O-N 3Å; E132-T152 HydrophobicContact CG-CG2 4.04Å
133V98.1Very high95.7Very high0 Ų085.5 Ų85.50%042%0.417CS..EExtended strand (participates in β ladder)trans-105.2121.5173.1-174.60000107.5I124 V131 F151 T152 K153 L176 I178I124-V133 HydrophobicContact CG1-CG1 4.42Å; V131-V133 HydrophobicContact CG1-CG2 4.46Å; V133-F151 HydrophobicContact CB-CE1 4.17Å; V133-F151 HydrophobicContact CG1-CD1 4.4Å; V133-F151 HydrophobicContact CG1-CE1 3.85Å; V133-T152 CarbonylContact O-C 3.5Å; V133-T152 VanDerWaalsContact O-CA 3.28Å; V133-T152 WeakPolarHBondContact O-CA 3.38Å; V133-K153 PolarHBondContact N-O 3.44Å; V133-K153 PolarHBondContact O-N 2.78Å; V133-L176 HydrophobicContact CB-CD2 4.32Å; V133-L176 HydrophobicContact CG1-CD2 3.53Å; V133-L176 HydrophobicContact CG2-CD2 3.77Å; V133-I178 HydrophobicContact CG2-CD1 3.69Å
134S97.8Very high95.2Very high26 Ų2685.5 Ų85.518%0.18243%0.433CS..EExtended strand (participates in β ladder)trans-125.5152.8177.2610000111L122 N123 F151L122-S134 CarbonylContact C-O 3.6Å; L122-S134 WeakPolarHBondContact CA-O 3.44Å; N123-S134 PolarHBondContact N-O 3.43Å; N123-S134 PolarHBondContact O-N 2.9Å; N123-S134 PolarHBondContact O-OG 3.24Å; S134-F151 CarbonylContact C-O 3.56Å; S134-F151 WeakPolarHBondContact CA-O 3.1Å
135G97.9Very high94.9Very high7 Ų783.9 Ų83.97%0.07243%0.432CS..EExtended strand (participates in β ladder)trans-149.7139.8178.200000110.9E121 N150 F151E121-G135 WeakPolarHBondContact O-CA 3.28Å; G135-N150 CarbonylContact O-C 3.59Å; G135-N150 WeakPolarHBondContact O-CA 3.39Å; G135-F151 PolarHBondContact N-O 3.08Å; G135-F151 PolarHBondContact O-N 2.7Å
136K97.4Very high94.8Very high140 Ų14083.2 Ų83.261%0.60943%0.433SS*.EExtended strand (participates in β ladder)trans-133.7118.8174.1-174.1-175.3175.7-170.60109.6E121 K149E121-K136 WeakPolarHBondContact CB-O 3.28Å; E121-K136 PolarHBondContact O-N 3.03Å; K136-K149 WeakPolarHBondContact CA-O 3.29Å
137H96.7Very high94.6Very high22 Ų2282.3 Ų82.310%0.10243%0.427CS..EExtended strand (participates in β ladder)trans-117.9137.8179.5178.171.4000109.9F117 E121 E139 T148 K149F117-H137 HydrophobicContact CD1-CB 3.76Å; F117-H137 HydrophobicContact CE1-CB 3.86Å; E121-H137 VanDerWaalsContact CD-ND1 3.26Å; E121-H137 IonicContact OE1-CE1 3.68Å; E121-H137 IonicContact OE1-CG 3.75Å; E121-H137 IonicContact OE1-ND1 2.77Å; E121-H137 PolarHBondContact OE1-ND1 2.86Å; E121-H137 WeakPolarHBondContact OE2-CB 3.29Å; E121-H137 IonicContact OE2-CG 3.57Å; E121-H137 IonicContact OE2-ND1 3.03Å; E121-H137 PolarHBondContact OE2-ND1 2.85Å; H137-E139 IonicContact NE2-OE2 3.86Å; H137-T148 CarbonylContact O-C 3.48Å; H137-T148 VanDerWaalsContact O-CA 3.26Å; H137-T148 WeakPolarHBondContact O-CA 3.48Å; H137-T148 WeakPolarHBondContact O-CG2 3.42Å; H137-K149 HydrophobicContact CB-CB 4.28Å; H137-K149 PolarHBondContact N-O 3.23Å; H137-K149 PolarHBondContact O-N 2.87Å
138E95.4Very high94.6Very high104 Ų10479.4 Ų79.449%0.48642%0.422SS..EExtended strand (participates in β ladder)trans-132.8119173.6-171.4179.5117.500109.4I146 V147E138-I146 HydrophobicContact CG-CG2 3.46Å; E138-I146 VanDerWaalsContact CG-CG2 3.46Å; E138-V147 CarbonylContact C-O 3.57Å; E138-V147 WeakPolarHBondContact CA-O 3.3Å
139E93.8Very high94.7Very high105 Ų10578 Ų7849%0.49141%0.41SS..EExtended strand (participates in β ladder)trans-117.7128178.7-176177.3-173.900109.9H137 I146 V147H137-E139 IonicContact NE2-OE2 3.86Å; E139-I146 CarbonylContact O-C 3.56Å; E139-I146 WeakPolarHBondContact O-CA 3.15Å; E139-V147 HydrophobicContact CB-CB 4.46Å; E139-V147 PolarHBondContact N-O 2.78Å; E139-V147 PolarHBondContact O-N 3.15Å
140K94.1Very high94.8Very high163 Ų16382.9 Ų82.971%0.70943%0.427SS*.EExtended strand (participates in β ladder)trans-86.9121.7171.5-68-177.5178.8178.80108.9I146K140-I146 HydrophobicContact CG-CG1 4.48Å
141Q92.8Very high94.8Very high98 Ų9882.6 Ų82.646%0.45843%0.426SS..  trans-79.7153.1173.6-59.6-17416.100110.6E143 G144 G145 V147Q141-E143 VanDerWaalsContact C-N 3.27Å; Q141-E143 PolarHBondContact O-N 3.39Å; Q141-G144 PolarHBondContact O-N 3.06Å; Q141-G145 PolarHBondContact N-O 3.02Å; Q141-V147 HydrophobicContact CG-CG2 4Å
142E89.9Confident94.8Very high209 Ų20987.3 Ų87.398%0.97745%0.454SS*.THydrogen-bonded Turntrans-60.3-34.4-179.5-170.6176-179.300113G144E142-G144 PolarHBondContact O-N 2.97Å; E142-G144 VanDerWaalsContact O-N 3.17Å
143E92.5Very high94.8Very high190 Ų19087.5 Ų87.589%0.88845%0.454SS*.THydrogen-bonded Turntrans-77.16.9177.8-153.5-179.3165.800113.5Q141Q141-E143 VanDerWaalsContact C-N 3.27Å; Q141-E143 PolarHBondContact O-N 3.39Å
144G87.1Confident94.7Very high70 Ų7093.1 Ų93.172%0.72248%0.479SS*.SBendtrans86.510.8179.600000114.8Q141 E142Q141-G144 PolarHBondContact O-N 3.06Å; E142-G144 PolarHBondContact O-N 2.97Å; E142-G144 VanDerWaalsContact O-N 3.17Å
145G91.6Very high94.7Very high28 Ų2892.8 Ų92.829%0.28948%0.475SS..  trans-80.3158.617100000113.2Q141Q141-G145 PolarHBondContact N-O 3.02Å
146I93.8Very high94.6Very high102 Ų10299.1 Ų99.152%0.52350%0.502SS..EExtended strand (participates in β ladder)trans-121.8128.3172.1-57.9175.1000108.6E138 E139 K140E138-I146 HydrophobicContact CG-CG2 3.46Å; E138-I146 VanDerWaalsContact CG-CG2 3.46Å; E139-I146 CarbonylContact O-C 3.56Å; E139-I146 WeakPolarHBondContact O-CA 3.15Å; K140-I146 HydrophobicContact CG-CG1 4.48Å
147V93.4Very high94.5Very high43 Ų4393 Ų9326%0.26148%0.476SS..EExtended strand (participates in β ladder)trans-103121.3169.7-1750000108.5E138 E139 Q141 K149E138-V147 CarbonylContact C-O 3.57Å; E138-V147 WeakPolarHBondContact CA-O 3.3Å; E139-V147 HydrophobicContact CB-CB 4.46Å; E139-V147 PolarHBondContact N-O 2.78Å; E139-V147 PolarHBondContact O-N 3.15Å; Q141-V147 HydrophobicContact CG-CG2 4Å; V147-K149 HydrophobicContact CG1-CG 4.42Å
148T95.2Very high94.4Very high80 Ų8093.2 Ų93.249%0.49148%0.479SS..EExtended strand (participates in β ladder)trans-112.5128.1171.6-490000109.6H137H137-T148 CarbonylContact O-C 3.48Å; H137-T148 VanDerWaalsContact O-CA 3.26Å; H137-T148 WeakPolarHBondContact O-CA 3.48Å; H137-T148 WeakPolarHBondContact O-CG2 3.42Å
149K95.6Very high94.2Very high87 Ų8795.6 Ų95.638%0.37850%0.501SS..EExtended strand (participates in β ladder)trans-114.6135.5170.1-62.5176.9-179168.90109.2F117 K136 H137 V147F117-K149 HydrophobicContact CE1-CB 4.1Å; F117-K149 HydrophobicContact CZ-CB 3.96Å; K136-K149 WeakPolarHBondContact CA-O 3.29Å; H137-K149 HydrophobicContact CB-CB 4.28Å; H137-K149 PolarHBondContact N-O 3.23Å; H137-K149 PolarHBondContact O-N 2.87Å; V147-K149 HydrophobicContact CG1-CG 4.42Å
150N96.4Very high94Very high141 Ų14193.3 Ų93.375%0.75449%0.492SS*.EExtended strand (participates in β ladder)trans-122.7139.9172.953.811.5000109.8G135G135-N150 CarbonylContact O-C 3.59Å; G135-N150 WeakPolarHBondContact O-CA 3.39Å
151F96.6Very high93.9Very high50 Ų5085.9 Ų85.922%0.21946%0.46CS..EExtended strand (participates in β ladder)trans-133.1137.9178175-105.4000109.1V112 V114 F117 V133 S134 G135 K153V112-F151 HydrophobicContact CG1-CE1 4.07Å; V112-F151 HydrophobicContact CG1-CZ 3.64Å; V114-F151 HydrophobicContact CG1-CE1 4.1Å; F117-F151 HydrophobicContact CD2-CB 4.44Å; F117-F151 HydrophobicContact CE1-CB 4.23Å; F117-F151 HydrophobicContact CE2-CB 3.54Å; F117-F151 HydrophobicContact CE2-CG 4.23Å; F117-F151 HydrophobicContact CZ-CB 3.42Å; F117-F151 VanDerWaalsContact CZ-CB 3.42Å; V133-F151 HydrophobicContact CB-CE1 4.17Å; V133-F151 HydrophobicContact CG1-CD1 4.4Å; V133-F151 HydrophobicContact CG1-CE1 3.85Å; S134-F151 CarbonylContact C-O 3.56Å; S134-F151 WeakPolarHBondContact CA-O 3.1Å; G135-F151 PolarHBondContact N-O 3.08Å; G135-F151 PolarHBondContact O-N 2.7Å; F151-K153 HydrophobicContact CE1-CB 3.81Å; F151-K153 HydrophobicContact CE2-CB 4.04Å; F151-K153 HydrophobicContact CZ-CB 3.36Å; F151-K153 HydrophobicContact CZ-CD 3.97Å; F151-K153 HydrophobicContact CZ-CG 4.29Å
152T96.9Very high93.8Very high98 Ų9884.1 Ų84.160%0.60145%0.454SS*.EExtended strand (participates in β ladder)trans-148.1122.4169.6-53.90000108.4E132 V133E132-T152 HydrophobicContact CG-CG2 4.04Å; V133-T152 CarbonylContact O-C 3.5Å; V133-T152 VanDerWaalsContact O-CA 3.28Å; V133-T152 WeakPolarHBondContact O-CA 3.38Å
153K96.8Very high94Very high75 Ų7577.1 Ų77.133%0.32643%0.427SS..EExtended strand (participates in β ladder)trans-131.4120.7176.8-173.8177.1-176.3-173.70109.2V112 V133 F151 I155V112-K153 HydrophobicContact CB-CD 4.48Å; V112-K153 HydrophobicContact CG1-CD 3.63Å; V112-K153 HydrophobicContact CG2-CD 4.04Å; V133-K153 PolarHBondContact N-O 3.44Å; V133-K153 PolarHBondContact O-N 2.78Å; F151-K153 HydrophobicContact CE1-CB 3.81Å; F151-K153 HydrophobicContact CE2-CB 4.04Å; F151-K153 HydrophobicContact CZ-CB 3.36Å; F151-K153 HydrophobicContact CZ-CD 3.97Å; F151-K153 HydrophobicContact CZ-CG 4.29Å; K153-I155 HydrophobicContact CG-CG1 4.39Å
154K97.3Very high94Very high118 Ų11874.1 Ų74.151%0.51342%0.421SS..EExtended strand (participates in β ladder)trans-103.6127.5178.3-170.1171.3175.4173.20109.3F130F130-K154 HydrophobicContact CB-CD 4.27Å; F130-K154 VanDerWaalsContact CB-CE 3.46Å; F130-K154 HydrophobicContact CB-CG 3.77Å; F130-K154 HydrophobicContact CD1-CD 3.99Å; F130-K154 HydrophobicContact CD1-CG 3.59Å; F130-K154 HydrophobicContact CE1-CD 4.48Å; F130-K154 HydrophobicContact CE1-CG 4.4Å; F130-K154 HydrophobicContact CG-CD 4.06Å; F130-K154 HydrophobicContact CG-CG 3.85Å
155I97.1Very high94.3Very high19 Ų1973 Ų7310%0.09740%0.4CS..EExtended strand (participates in β ladder)trans-120.5124-176.5-61.8158.4000107.2W108 V110 V112 F130 V131 K153 I178W108-I155 HydrophobicContact CH2-CG2 4.08Å; W108-I155 HydrophobicContact CZ2-CG2 3.75Å; V110-I155 HydrophobicContact CG1-CD1 3.82Å; V110-I155 HydrophobicContact CG1-CG1 4.47Å; V110-I155 HydrophobicContact CG1-CG2 4.4Å; V110-I155 HydrophobicContact CG2-CG2 4.18Å; V112-I155 HydrophobicContact CG2-CD1 3.83Å; F130-I155 CarbonylContact C-O 3.53Å; F130-I155 WeakPolarHBondContact CA-O 3.43Å; F130-I155 WeakPolarHBondContact CB-O 3.39Å; V131-I155 HydrophobicContact CB-CB 4.49Å; V131-I155 PolarHBondContact N-O 2.77Å; V131-I155 PolarHBondContact O-N 2.76Å; K153-I155 HydrophobicContact CG-CG1 4.39Å; I155-I178 HydrophobicContact CD1-CD1 3.75Å
156Q96.5Very high94.5Very high140 Ų14073 Ų7365%0.65440%0.395SS*.EExtended strand (participates in β ladder)trans-75131.3176.1-169.7173.2-16.500109.9F130F130-Q156 VanDerWaalsContact CD1-CA 3.46Å; F130-Q156 HydrophobicContact CD1-CB 3.82Å; F130-Q156 HydrophobicContact CD1-CG 4.24Å; F130-Q156 HydrophobicContact CE1-CB 3.63Å; F130-Q156 HydrophobicContact CE1-CG 3.84Å; F130-Q156 HydrophobicContact CZ-CG 4.24Å
157I95.4Very high94.6Very high11 Ų1174.6 Ų74.66%0.05640%0.398CS..PPolyproline II helixtrans-83.1127.3173.4-57.5173.2000107.1W108 T126 G129 V131 V161 P163 V166W108-I157 HydrophobicContact CH2-CG1 4.2Å; T126-I157 HydrophobicContact CG2-CD1 3.66Å; G129-I157 WeakPolarHBondContact O-CB 3.41Å; G129-I157 PolarHBondContact O-N 2.88Å; V131-I157 HydrophobicContact CG2-CD1 3.68Å; V131-I157 HydrophobicContact CG2-CG1 3.79Å; I157-V161 HydrophobicContact CG2-CB 3.68Å; I157-V161 HydrophobicContact CG2-CG1 3.65Å; I157-P163 HydrophobicContact CD1-CB 4Å; I157-V166 HydrophobicContact CD1-CG2 4.15Å
158P94.2Very high94.7Very high26 Ų2674 Ų7417%0.16940%0.398CS..PPolyproline II helixtrans-58.2150.6172.3-23.234000112D160 V161P158-D160 WeakPolarHBondContact CB-OD1 3.2Å; P158-D160 PolarHBondContact O-N 2.71Å; P158-V161 HydrophobicContact CB-CG2 3.97Å; P158-V161 HydrophobicContact CG-CG2 4.04Å; P158-V161 PolarHBondContact O-N 3.35Å; P158-V161 VanDerWaalsContact O-N 3.08Å
159T90.5Very high94.8Very high154 Ų15472.4 Ų72.495%0.94539%0.39SS*.THydrogen-bonded Turntrans-64.7-22.9-178.933.80000114.2V161T159-V161 VanDerWaalsContact C-N 3.3Å
160D90Very high94.9Very high58 Ų5871.4 Ų71.431%0.3139%0.388SS..THydrogen-bonded Turntrans-82.9-2.7176.652.7-54.7000113.2Q102 P158 Q182 S183Q102-D160 PolarHBondContact NE2-OD2 3Å; P158-D160 WeakPolarHBondContact CB-OD1 3.2Å; P158-D160 PolarHBondContact O-N 2.71Å; D160-Q182 CarbonylContact O-C 3.57Å; D160-Q182 VanDerWaalsContact O-CA 3.3Å; D160-Q182 WeakPolarHBondContact O-CA 3.42Å; D160-S183 PolarHBondContact O-N 3.27Å
161V92.2Very high95Very high6 Ų666.1 Ų66.14%0.03636%0.362CS..BIsolated β-bridgetrans-106.5132.3-178.5174.40000110.3W108 I157 P158 T159 P163 A180 Q182W108-V161 HydrophobicContact CB-CG1 4.13Å; W108-V161 HydrophobicContact CB-CG2 3.55Å; W108-V161 HydrophobicContact CD2-CG1 4.31Å; W108-V161 HydrophobicContact CD2-CG2 4.49Å; W108-V161 HydrophobicContact CE3-CG1 4.18Å; W108-V161 HydrophobicContact CG-CG1 4.34Å; W108-V161 HydrophobicContact CG-CG2 3.82Å; I157-V161 HydrophobicContact CG2-CB 3.68Å; I157-V161 HydrophobicContact CG2-CG1 3.65Å; P158-V161 HydrophobicContact CB-CG2 3.97Å; P158-V161 HydrophobicContact CG-CG2 4.04Å; P158-V161 PolarHBondContact O-N 3.35Å; P158-V161 VanDerWaalsContact O-N 3.08Å; T159-V161 VanDerWaalsContact C-N 3.3Å; V161-P163 VanDerWaalsContact O-CD 3.29Å; V161-P163 WeakPolarHBondContact O-CD 3.49Å; V161-A180 HydrophobicContact CG1-CB 3.45Å; V161-A180 VanDerWaalsContact CG1-CB 3.45Å; V161-Q182 HydrophobicContact CG2-CG 4.2Å
162D91.1Very high94.9Very high61 Ų6170.1 Ų70.133%0.32639%0.394SS..  trans-78.5112.9177.4-178.8-1.8000110.5V164 T165 R181D162-V164 PolarHBondContact O-N 2.91Å; D162-V164 WeakPolarHBondContact OD1-CB 3.43Å; D162-V164 PolarHBondContact OD1-N 2.74Å; D162-T165 HydrophobicContact CB-CG2 3.95Å; D162-T165 PolarHBondContact O-N 2.92Å; D162-T165 VanDerWaalsContact O-N 3.09Å; D162-T165 PolarHBondContact O-OG1 2.94Å; D162-T165 WeakPolarHBondContact OD2-CG2 3.32Å; D162-R181 PolarHBondContact N-O 3.18Å
163P92.6Very high94.9Very high62 Ų6273 Ų7340%0.40340%0.4SS..G310 helixtrans-64.3-20.8-178.328.4-36.5000113.5T126 I157 V161 T165 V166T126-P163 HydrophobicContact CG2-CB 3.96Å; I157-P163 HydrophobicContact CD1-CB 4Å; V161-P163 VanDerWaalsContact O-CD 3.29Å; V161-P163 WeakPolarHBondContact O-CD 3.49Å; P163-T165 VanDerWaalsContact C-N 3.28Å; P163-V166 VanDerWaalsContact O-CG2 3.28Å; P163-V166 WeakPolarHBondContact O-CG2 3.44Å
164V92.7Very high94.9Very high128 Ų12869.9 Ų69.978%0.77639%0.39SS*.G310 helixtrans-74.1-25.2178.5-175.40000111.2D162 V166D162-V164 PolarHBondContact O-N 2.91Å; D162-V164 WeakPolarHBondContact OD1-CB 3.43Å; D162-V164 PolarHBondContact OD1-N 2.74Å; V164-V166 VanDerWaalsContact C-N 3.28Å; V164-V166 PolarHBondContact O-N 3.12Å
165T93.8Very high94.9Very high45 Ų4566.5 Ų66.528%0.27638%0.379SS..G310 helixtrans-87.23.6-179.868.50000113.6D162 P163 F167 R181D162-T165 HydrophobicContact CB-CG2 3.95Å; D162-T165 PolarHBondContact O-N 2.92Å; D162-T165 VanDerWaalsContact O-N 3.09Å; D162-T165 PolarHBondContact O-OG1 2.94Å; D162-T165 WeakPolarHBondContact OD2-CG2 3.32Å; P163-T165 VanDerWaalsContact C-N 3.28Å; T165-F167 PolarHBondContact O-N 3.46Å; T165-R181 HydrophobicContact CG2-CB 4.19Å; T165-R181 HydrophobicContact CG2-CG 4.42Å; T165-R181 PolarHBondContact OG1-N 3.37Å
166V96Very high94.9Very high30 Ų3065.9 Ų65.918%0.18238%0.375CS..  trans-63.9123.6178.5174.50000110T126 V131 I157 P163 V164 I178 E179 A180T126-V166 HydrophobicContact CG2-CG2 4.47Å; V131-V166 HydrophobicContact CG2-CG1 3.99Å; V131-V166 HydrophobicContact CG2-CG2 4.31Å; I157-V166 HydrophobicContact CD1-CG2 4.15Å; P163-V166 VanDerWaalsContact O-CG2 3.28Å; P163-V166 WeakPolarHBondContact O-CG2 3.44Å; V164-V166 VanDerWaalsContact C-N 3.28Å; V164-V166 PolarHBondContact O-N 3.12Å; V166-I178 HydrophobicContact CG1-CG2 3.93Å; V166-E179 CarbonylContact C-O 3.6Å; V166-E179 WeakPolarHBondContact CA-O 3.35Å; V166-A180 HydrophobicContact CB-CB 4.49Å; V166-A180 HydrophobicContact CG2-CB 3.85Å
167F96.2Very high95Very high135 Ų13560.9 Ų60.959%0.59235%0.353SS*.EExtended strand (participates in β ladder)trans-127.8150.9174177.6-100.7000109.9T165 I178 E179T165-F167 PolarHBondContact O-N 3.46Å; F167-I178 WeakPolarHBondContact O-CA 3.4Å; F167-E179 PolarHBondContact N-O 3.15Å; F167-E179 PolarHBondContact O-N 2.93Å
168A96.4Very high95.1Very high31 Ų3160.3 Ų60.326%0.25635%0.35SS..EExtended strand (participates in β ladder)trans-131.9139.5179.200000111.3I124 L176 I177 I178I124-A168 HydrophobicContact CD1-CB 3.5Å; I124-A168 VanDerWaalsContact CD1-CB 3.5Å; A168-L176 HydrophobicContact CB-CD1 4.25Å; A168-I177 CarbonylContact C-O 3.55Å; A168-I177 VanDerWaalsContact CA-O 3.29Å; A168-I177 WeakPolarHBondContact CA-O 3.39Å; A168-I178 HydrophobicContact CB-CG1 4.32Å
169S97.1Very high95.2Very high45 Ų4561.9 Ų61.932%0.31536%0.355SS..EExtended strand (participates in β ladder)trans-132.5149174.461.10000110.1L176 I177S169-L176 CarbonylContact O-C 3.55Å; S169-L176 WeakPolarHBondContact O-CA 3.37Å; S169-I177 PolarHBondContact N-O 3.17Å; S169-I177 PolarHBondContact O-N 3.03Å
170L97.6Very high95.4Very high66 Ų6654.7 Ų54.735%0.34631%0.311SS..EExtended strand (participates in β ladder)trans-114124.2179.9179.860.7000109.3V114 P119 L122 L176V114-L170 HydrophobicContact CG2-CD1 3.53Å; P119-L170 HydrophobicContact CB-CD2 3.88Å; P119-L170 HydrophobicContact CG-CD2 3.7Å; L122-L170 HydrophobicContact CD1-CD2 4.27Å; L170-L176 HydrophobicContact CB-CD1 4.4Å; L170-L176 HydrophobicContact CD1-CB 4.3Å
171S97.2Very high95.5Very high30 Ų3060.5 Ų60.521%0.2133%0.329CS..  trans-76156.1174.181.20000111.4E173 G174 V175S171-E173 PolarHBondContact O-N 3.21Å; S171-E173 PolarHBondContact OG-N 2.73Å; S171-G174 PolarHBondContact O-N 3.34Å; S171-V175 PolarHBondContact N-O 3.01Å; S171-V175 WeakPolarHBondContact OG-CB 3.35Å; S171-V175 PolarHBondContact OG-N 3.14Å; S171-V175 PolarHBondContact OG-O 2.64Å
172P95.9Very high95.3Very high135 Ų13562.9 Ų62.988%0.87734%0.34SS*.THydrogen-bonded Turntrans-57.5-28.6173.7-25.235000113.8G174P172-G174 PolarHBondContact O-N 2.95Å
173E95.7Very high94.8Very high157 Ų15763.4 Ų63.473%0.73435%0.348SS*.THydrogen-bonded Turntrans-77.65.1177.6-55.9-54.4144.100113.3S171S171-E173 PolarHBondContact O-N 3.21Å; S171-E173 PolarHBondContact OG-N 2.73Å
174G96.5Very high93.9Very high11 Ų1163 Ų6311%0.11335%0.346CS..SBendtrans76.528.8179.500000113.6N113 V114 H115 S171 P172N113-G174 PolarHBondContact OD1-O 3.33Å; V114-G174 CarbonylContact C-O 3.54Å; V114-G174 VanDerWaalsContact CG2-O 3.3Å; V114-G174 WeakPolarHBondContact CG2-O 3.43Å; V114-G174 PolarHBondContact N-O 2.93Å; H115-G174 PolarHBondContact N-O 3.43Å; S171-G174 PolarHBondContact O-N 3.34Å; P172-G174 PolarHBondContact O-N 2.95Å
175V97.8Very high92.7Very high46 Ų4660.8 Ų60.828%0.27933%0.334SS..EExtended strand (participates in β ladder)trans-103.2113.5173.6-174.80000109.3C111 S171 I177C111-V175 HydrophobicContact CB-CG1 3.97Å; S171-V175 PolarHBondContact N-O 3.01Å; S171-V175 WeakPolarHBondContact OG-CB 3.35Å; S171-V175 PolarHBondContact OG-N 3.14Å; S171-V175 PolarHBondContact OG-O 2.64Å; V175-I177 HydrophobicContact CG1-CG1 4.41Å
176L98.2Very high91.3Very high6 Ų667.8 Ų67.83%0.03136%0.357CS..EExtended strand (participates in β ladder)trans-79.2122.3171.6-176.374.5000109.4C111 V112 V114 I124 V133 A168 S169 L170 I178C111-L176 CarbonylContact C-O 3.57Å; C111-L176 WeakPolarHBondContact CA-O 3.3Å; V112-L176 HydrophobicContact CB-CB 4.3Å; V112-L176 PolarHBondContact N-O 2.73Å; V112-L176 PolarHBondContact O-N 3.2Å; V114-L176 HydrophobicContact CG1-CB 4.28Å; V114-L176 HydrophobicContact CG2-CB 3.88Å; I124-L176 HydrophobicContact CD1-CD1 3.76Å; I124-L176 HydrophobicContact CD1-CD2 3.7Å; I124-L176 HydrophobicContact CD1-CG 4.29Å; I124-L176 HydrophobicContact CG1-CD2 4.21Å; V133-L176 HydrophobicContact CB-CD2 4.32Å; V133-L176 HydrophobicContact CG1-CD2 3.53Å; V133-L176 HydrophobicContact CG2-CD2 3.77Å; A168-L176 HydrophobicContact CB-CD1 4.25Å; S169-L176 CarbonylContact O-C 3.55Å; S169-L176 WeakPolarHBondContact O-CA 3.37Å; L170-L176 HydrophobicContact CB-CD1 4.4Å; L170-L176 HydrophobicContact CD1-CB 4.3Å; L176-I178 HydrophobicContact CD2-CD1 4.21Å; L176-I178 HydrophobicContact CD2-CG1 4.3Å; L176-I178 HydrophobicContact CG-CG1 4.33Å
177I97.6Very high89.9Confident35 Ų3576 Ų7618%0.17939%0.386CS..EExtended strand (participates in β ladder)trans-108.1120.1179.8-60.6163.9000107.6K109 A168 S169 V175 E179K109-I177 HydrophobicContact CD-CG2 4.36Å; K109-I177 HydrophobicContact CG-CG2 4.25Å; A168-I177 CarbonylContact C-O 3.55Å; A168-I177 VanDerWaalsContact CA-O 3.29Å; A168-I177 WeakPolarHBondContact CA-O 3.39Å; S169-I177 PolarHBondContact N-O 3.17Å; S169-I177 PolarHBondContact O-N 3.03Å; V175-I177 HydrophobicContact CG1-CG1 4.41Å; I177-E179 HydrophobicContact CG2-CG 3.93Å; I177-E179 WeakPolarHBondContact CG2-OE1 2.97Å
178I97.5Very high88.4Confident0 Ų076 Ų760%039%0.391CS..EExtended strand (participates in β ladder)trans-110.5125.5178.1-60.1161.4000107.4W108 K109 V110 V112 V131 V133 I155 V166 F167 A168 L176W108-I178 HydrophobicContact CH2-CG2 4.16Å; W108-I178 HydrophobicContact CZ3-CG2 3.73Å; K109-I178 CarbonylContact C-O 3.49Å; K109-I178 VanDerWaalsContact CA-O 3.32Å; K109-I178 WeakPolarHBondContact CA-O 3.4Å; V110-I178 PolarHBondContact N-O 3.11Å; V110-I178 PolarHBondContact O-N 3.15Å; V112-I178 HydrophobicContact CG2-CD1 4.28Å; V131-I178 HydrophobicContact CG1-CD1 3.96Å; V131-I178 HydrophobicContact CG1-CG2 4.35Å; V131-I178 HydrophobicContact CG2-CG2 4.36Å; V133-I178 HydrophobicContact CG2-CD1 3.69Å; I155-I178 HydrophobicContact CD1-CD1 3.75Å; V166-I178 HydrophobicContact CG1-CG2 3.93Å; F167-I178 WeakPolarHBondContact O-CA 3.4Å; A168-I178 HydrophobicContact CB-CG1 4.32Å; L176-I178 HydrophobicContact CD2-CD1 4.21Å; L176-I178 HydrophobicContact CD2-CG1 4.3Å; L176-I178 HydrophobicContact CG-CG1 4.33Å
179E96.3Very high86.8Confident59 Ų5981.2 Ų81.228%0.27641%0.408SS..EExtended strand (participates in β ladder)trans-129.9146.3-177.1-70.3175.3179.900110.9W108 K109 V166 F167 I177W108-E179 CarbonylContact O-C 3.47Å; W108-E179 WeakPolarHBondContact O-CA 3.45Å; K109-E179 HydrophobicContact CB-CG 4.16Å; K109-E179 HydrophobicContact CD-CG 4.1Å; K109-E179 WeakPolarHBondContact CD-OE1 3.23Å; K109-E179 VanDerWaalsContact CE-OE1 3.23Å; K109-E179 WeakPolarHBondContact CE-OE1 3.44Å; K109-E179 HydrophobicContact CG-CG 3.86Å; K109-E179 IonicContact NZ-OE1 2.71Å; K109-E179 PolarHBondContact NZ-OE1 2.97Å; V166-E179 CarbonylContact C-O 3.6Å; V166-E179 WeakPolarHBondContact CA-O 3.35Å; F167-E179 PolarHBondContact N-O 3.15Å; F167-E179 PolarHBondContact O-N 2.93Å; I177-E179 HydrophobicContact CG2-CG 3.93Å; I177-E179 WeakPolarHBondContact CG2-OE1 2.97Å
180A95Very high84.9Confident3 Ų381.4 Ų81.43%0.02541%0.41CS..EExtended strand (participates in β ladder)trans-151.3157173.400000111.5P107 W108 V161 V166P107-A180 CarbonylContact C-O 3.56Å; P107-A180 WeakPolarHBondContact CA-O 3.28Å; P107-A180 WeakPolarHBondContact CB-O 3.5Å; W108-A180 HydrophobicContact CE3-CB 3.65Å; W108-A180 HydrophobicContact CZ3-CB 4.25Å; W108-A180 PolarHBondContact N-O 3.27Å; W108-A180 PolarHBondContact O-N 2.66Å; V161-A180 HydrophobicContact CG1-CB 3.45Å; V161-A180 VanDerWaalsContact CG1-CB 3.45Å; V166-A180 HydrophobicContact CB-CB 4.49Å; V166-A180 HydrophobicContact CG2-CB 3.85Å
181R91.8Very high83Confident180 Ų18086.2 Ų86.268%0.67944%0.436SS*.PPolyproline II helixtrans-81.8138.3177.4-61.3-17967.1-179.20110D162 T165D162-R181 PolarHBondContact N-O 3.18Å; T165-R181 HydrophobicContact CG2-CB 4.19Å; T165-R181 HydrophobicContact CG2-CG 4.42Å; T165-R181 PolarHBondContact OG1-N 3.37Å
182Q88.2Confident81.2Confident55 Ų5593 Ų9326%0.25746%0.464SS..BIsolated β-bridgetrans-71.6133.3165.7-63.8-177.645.900108.7E106 D160 V161E106-Q182 PolarHBondContact O-NE2 3.01Å; D160-Q182 CarbonylContact O-C 3.57Å; D160-Q182 VanDerWaalsContact O-CA 3.3Å; D160-Q182 WeakPolarHBondContact O-CA 3.42Å; V161-Q182 HydrophobicContact CG2-CG 4.2Å
183S81Confident79.1Confident73 Ų7389 Ų8951%0.5145%0.447SS..PPolyproline II helixtrans-64126.6169179.10000107.8D160D160-S183 PolarHBondContact O-N 3.27Å
184P72.8Confident77Confident54 Ų5487.8 Ų87.835%0.35145%0.453SS..PPolyproline II helixtrans-62.4147178.2-18.131.3000109.8Y186 L188 F189P184-Y186 PolarHBondContact O-N 2.96Å; P184-L188 HydrophobicContact CB-CD1 4.44Å; P184-F189 HydrophobicContact CB-CD2 4.33Å; P184-F189 HydrophobicContact CB-CE2 3.45Å; P184-F189 VanDerWaalsContact CB-CE2 3.45Å; P184-F189 HydrophobicContact CB-CZ 3.91Å; P184-F189 HydrophobicContact CG-CE2 3.51Å; P184-F189 HydrophobicContact CG-CZ 3.6Å
185P69.1Low74.5Confident81 Ų8195.9 Ų95.953%0.52649%0.488SS..PPolyproline II helixtrans-58.4133.1175.222.1-31.5000109.8Y187 L188P185-Y187 PolarHBondContact O-N 3.08Å; P185-L188 HydrophobicContact CG-CD1 3.73Å; P185-L188 HydrophobicContact CG-CG 4.04Å; P185-L188 PolarHBondContact O-N 3.07Å
186Y62.9Low72Confident192 Ų19297.5 Ų97.575%0.75351%0.514SS*.G310 helixtrans-50.6-33.3-171.8-165.6-95.2000113.8P184 L188 F189 S190P184-Y186 PolarHBondContact O-N 2.96Å; Y186-L188 PolarHBondContact O-N 3.01Å; Y186-F189 PolarHBondContact O-N 2.85Å; Y186-S190 PolarHBondContact O-N 3.06Å
187Y66.7Low69.4Low202 Ų202104.9 Ų104.979%0.79255%0.548SS*.G310 helixtrans-62.8-21.7178-57.2-72.9000115P185 F189P185-Y187 PolarHBondContact O-N 3.08Å; Y187-F189 PolarHBondContact O-N 2.92Å
188L66.1Low67.2Low134 Ų134111.1 Ų111.170%0.70258%0.578SS**G310 helixtrans-74.3-17.1175-67.1177.4000112.6P184 P185 Y186P184-L188 HydrophobicContact CB-CD1 4.44Å; P185-L188 HydrophobicContact CG-CD1 3.73Å; P185-L188 HydrophobicContact CG-CG 4.04Å; P185-L188 PolarHBondContact O-N 3.07Å; Y186-L188 PolarHBondContact O-N 3.01Å
189F63Low64.8Low142 Ų142120.2 Ų120.262%0.62362%0.621SS**THydrogen-bonded Turntrans-104.9-4.9178-63.3-66.8000113.4P184 Y186 Y187 N191P184-F189 HydrophobicContact CB-CD2 4.33Å; P184-F189 HydrophobicContact CB-CE2 3.45Å; P184-F189 VanDerWaalsContact CB-CE2 3.45Å; P184-F189 HydrophobicContact CB-CZ 3.91Å; P184-F189 HydrophobicContact CG-CE2 3.51Å; P184-F189 HydrophobicContact CG-CZ 3.6Å; Y186-F189 PolarHBondContact O-N 2.85Å; Y187-F189 PolarHBondContact O-N 2.92Å; F189-N191 PolarHBondContact O-N 2.64Å
190S57.2Low62.4Low49 Ų49125.9 Ų125.934%0.34365%0.648SS.*  trans-67.397.5171-71.20000108.9Y186 E192Y186-S190 PolarHBondContact O-N 3.06Å; S190-E192 PolarHBondContact O-N 3.37Å
191N57.6Low59.9Low166 Ų166129.9 Ų129.989%0.88868%0.68SS**  trans-75.128.8175-136.162.6000112.4F189 G193F189-N191 PolarHBondContact O-N 2.64Å; N191-G193 VanDerWaalsContact C-N 3.27Å; N191-G193 PolarHBondContact O-N 3.32Å; N191-G193 VanDerWaalsContact O-N 3.11Å
192E58.8Low57.7Low173 Ų173126.3 Ų126.381%0.80868%0.683SS**  trans-84.376172.6-51.7-172.7143.600107.3S190S190-E192 PolarHBondContact O-N 3.37Å
193G51.4Low55.4Low51 Ų51131.8 Ų131.853%0.52671%0.708SS.*  trans-53.6141165.100000109N191 Q195N191-G193 VanDerWaalsContact C-N 3.27Å; N191-G193 PolarHBondContact O-N 3.32Å; N191-G193 VanDerWaalsContact O-N 3.11Å; G193-Q195 PolarHBondContact O-N 2.78Å
194P50.8Low53.7Low132 Ų132133.9 Ų133.986%0.85772%0.723SS**  trans-56.5116.7173.522.3-29.4000107.7G196P194-G196 PolarHBondContact O-N 3.47Å
195Q44.2Very low52.5Low181 Ų181139.2 Ų139.285%0.84674%0.744SS**  trans-56.9110.4170-71.2177.9-26.900106.6G193 E197G193-Q195 PolarHBondContact O-N 2.78Å; Q195-E197 PolarHBondContact O-N 3.11Å; Q195-E197 VanDerWaalsContact O-N 3.07Å
196G45.4Very low51.3Low79 Ų79144.6 Ų144.681%0.81476%0.761SS**  trans-57.8112.8172.600000109.2P194 M198P194-G196 PolarHBondContact O-N 3.47Å; G196-M198 PolarHBondContact O-N 3.39Å
197E43.8Very low50.5Low162 Ų162140 Ų14076%0.75776%0.764SS**  trans-66113.3175.5-62174.9-171.700109.6Q195Q195-E197 PolarHBondContact O-N 3.11Å; Q195-E197 VanDerWaalsContact O-N 3.07Å
198M51.7Low49.4Very low165 Ų165141.8 Ų141.881%0.81377%0.769SS**  trans41.198.4138.137.3177.4169.400118.6G196G196-M198 PolarHBondContact O-N 3.39Å
199E47.6Very low48.8Very low191 Ų191140.5 Ų140.589%0.89377%0.768SS**  trans-101.396.9153.4-158.5176.5160.200108.8A201E199-A201 VanDerWaalsContact C-N 3.31Å; E199-A201 PolarHBondContact O-N 3.27Å
200E46.1Very low47.9Very low179 Ų179142.9 Ų142.984%0.83678%0.781SS**  trans-69.784.4172.1-174.9176.411300109.5S202E200-S202 PolarHBondContact O-N 3.11Å
201A41.3Very low47.5Very low86 Ų86149.5 Ų149.571%0.71181%0.807SS**  trans-79.3100.416600000108.9E199 Q203E199-A201 VanDerWaalsContact C-N 3.31Å; E199-A201 PolarHBondContact O-N 3.27Å; A201-Q203 PolarHBondContact O-N 2.99Å; A201-Q203 VanDerWaalsContact O-N 3.11Å
202S47.1Very low46.9Very low105 Ų105146.2 Ų146.273%0.73480%0.803SS**  trans-46112.9164.9-73.10000110.9E200E200-S202 PolarHBondContact O-N 3.11Å
203Q38.9Very low46.5Very low170 Ų170142.5 Ų142.579%0.79480%0.802SS**  trans-11784164.6-158.7166.560.800108.7A201 Q205A201-Q203 PolarHBondContact O-N 2.99Å; A201-Q203 VanDerWaalsContact O-N 3.11Å; Q203-Q205 PolarHBondContact O-N 3.24Å
204S45.8Very low46.3Very low117 Ų117148.4 Ų148.482%0.81882%0.818SS**  trans-68.4106.8163.2-57.70000108.6
205Q46.4Very low46.2Very low167 Ų167151.9 Ų151.978%0.7884%0.836SS**  trans-134.692.2160.8-84.7-172.3-31.800110.4Q203Q203-Q205 PolarHBondContact O-N 3.24Å
206E45.8Very low46.3Very low193 Ų193150.4 Ų150.490%0.90284%0.836SS**  trans44.4110.1130.6-155.8129.195.500119.1
207A44.5Very low46.3Very low97 Ų97154.2 Ų154.280%0.80284%0.837SS**  trans-70.2128.3166.300000111.7
208R44Very low46.5Very low239 Ų239153.7 Ų153.790%0.90284%0.841SS**  trans-75.8159.2149.1-113.9-168.1172.5178.1-2108.5
209P52.9Low46.2Very low106 Ų106153.1 Ų153.169%0.68884%0.843SS**  cis-126.5-177.530.129.3-5.4000110.9
210Q44.8Very low46.1Very low192 Ų192150.7 Ų150.790%0.89784%0.84SS**  -158.8146.990.1-56.7-161.4-21.800112.9
211E48.1Very low46.1Very low189 Ų189148.8 Ų148.888%0.88384%0.84SS**  trans-69.5142.9174.6172.3-172.1122.100113.3
212A45.2Very low46.4Very low96 Ų96153.3 Ų153.379%0.79385%0.849SS**  174.8138127.400000111.9
213A51.3Low46.4Very low96 Ų96157 Ų15779%0.79386%0.858SS**  trans-66.9169.4177.200000113.8
214M46.8Very low47Very low175 Ų175155.9 Ų155.986%0.86286%0.863SS**  148.4121.1108.2-160.1157.1-164.100112.6
215V48.7Very low47.1Very low204 Ų204159.5 Ų159.5100%1.23687%0.867SS**  trans69.50153.3179.70000118.9

Retrieved 215 of 215 residues in 350.7 ms (Link to these results)