A0A3B3V437_9TELE Loading...

Beta-sarcoglycan

Component of the sarcoglycan complex, a subcomplex of the dystrophin-glycoprotein complex which forms a link between the F-actin cytoskeleton and the extracellular matrix.

AlphaFold DB , UniProt , Accession A0A3B3V437, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 310 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
1M34.4Very low38Very low239 Ų239147.1 Ų147.1100%1.17786%0.857SS**  0910-86167.4137.300105.9
2A36.6Very low39.8Very low93 Ų93146.4 Ų146.477%0.76986%0.856SS**  82.4127.492.400000109.8
3S35.3Very low41.5Very low115 Ų115150.6 Ų150.680%0.80486%0.857SS**  cis-172141.2-4.319.40000106.3
4E35.4Very low43.1Very low197 Ų197149 Ų14992%0.92184%0.836SS**  trans-80.8139.6170.9-72.1167.3139.200110.2
5E38.9Very low45.2Very low200 Ų200143.9 Ų143.994%0.93581%0.814SS**  trans-113.4113.2166.7-82.4-172.3157.800109.7
6E36.2Very low46.8Very low199 Ų199145.5 Ų145.593%0.9382%0.815SS**  trans-87.5129164-79.2-174.4138.500110.1
7S34.1Very low48.2Very low117 Ų117148.6 Ų148.682%0.81881%0.811SS**  trans-99.7112.1174-171.60000110.7
8S36.7Very low49.6Very low109 Ų109146.2 Ų146.276%0.76279%0.793SS**  trans-91.9126.2176.3114.30000110.6
9N41.3Very low50.9Low162 Ų162144.7 Ų144.787%0.86678%0.779SS**  trans-133.197.7166.4-94.8-25.8000110.7
10G40.5Very low52Low60 Ų60140.4 Ų140.462%0.61976%0.764SS**PPolyproline II helixtrans-88.2166.9169.900000113.2
11P48.8Very low53.1Low127 Ų127138.1 Ų138.183%0.82575%0.75SS**PPolyproline II helixtrans-74.3130.8-170.928.3-32.9000113.4K13P11-K13 PolarHBondContact O-N 2.74Å
12V59.1Low54.9Low139 Ų139131.6 Ų131.684%0.84272%0.717SS**PPolyproline II helixtrans-65.1118.6-179.7-179.30000111.1K14V12-K14 PolarHBondContact O-N 3.05Å
13K62.2Low56.5Low201 Ų201136.3 Ų136.387%0.87472%0.715SS**  trans-77110.2176.1-70.9179.2179.21750110.3P11P11-K13 PolarHBondContact O-N 2.74Å
14K63.3Low58.1Low128 Ų128140 Ų14056%0.55771%0.711SS**  trans-59.9141.7172.7-72.3-175.1178.2-179.60112.5V12 E18V12-K14 PolarHBondContact O-N 3.05Å; K14-E18 WeakPolarHBondContact CB-OE2 3.28Å
15S75.3Confident59.6Low73 Ų73135 Ų13551%0.5169%0.69SS.*  trans-69.3148-174.8175.90000112.4R17 E18 K19S15-R17 PolarHBondContact O-N 3.35Å; S15-E18 PolarHBondContact N-OE2 2.86Å; S15-E18 PolarHBondContact O-N 2.8Å; S15-K19 PolarHBondContact O-N 3.46Å
16M70.1Confident60.8Low169 Ų169129 Ų12983%0.83366%0.664SS**Hα-helixtrans-54.1-29.7179.6-76-117.5-75.700113.2A20M16-A20 PolarHBondContact O-N 3.11Å; M16-A20 VanDerWaalsContact O-N 3.13Å
17R71.5Confident62Low198 Ų198125.5 Ų125.575%0.74765%0.652SS**Hα-helixtrans-69-38.8177-172.1175.9175.8-179.6-1.5112.6S15 A20 I21S15-R17 PolarHBondContact O-N 3.35Å; R17-A20 PolarHBondContact O-N 2.94Å; R17-I21 HydrophobicContact CG-CD1 4.3Å; R17-I21 WeakPolarHBondContact O-CG1 3.48Å; R17-I21 PolarHBondContact O-N 3.44Å; R17-I21 VanDerWaalsContact O-N 3.15Å
18E72.6Confident63.2Low105 Ų105127.3 Ų127.349%0.49165%0.645SS.*Hα-helixtrans-67.7-41.9177.1-68.7178.4147.500110.9K14 S15 A20 I21 E22K14-E18 WeakPolarHBondContact CB-OE2 3.28Å; S15-E18 PolarHBondContact N-OE2 2.86Å; S15-E18 PolarHBondContact O-N 2.8Å; E18-A20 VanDerWaalsContact C-N 3.27Å; E18-A20 PolarHBondContact O-N 2.75Å; E18-I21 PolarHBondContact O-N 3.22Å; E18-E22 WeakPolarHBondContact O-CB 3.24Å; E18-E22 PolarHBondContact O-N 3Å
19K74.3Confident64.3Low118 Ų118128.6 Ų128.651%0.51364%0.639SS.*Hα-helixtrans-62-34175.6-68.7-176178.9-179.60112.7S15 R23S15-K19 PolarHBondContact O-N 3.46Å; K19-R23 WeakPolarHBondContact O-CG 3.47Å; K19-R23 PolarHBondContact O-N 3.36Å
20A72.8Confident65.1Low59 Ų59127.1 Ų127.149%0.48863%0.627SS.*Hα-helixtrans-72.4-37.2177.500000112.6M16 R17 E18 R24M16-A20 PolarHBondContact O-N 3.11Å; M16-A20 VanDerWaalsContact O-N 3.13Å; R17-A20 PolarHBondContact O-N 2.94Å; E18-A20 VanDerWaalsContact C-N 3.27Å; E18-A20 PolarHBondContact O-N 2.75Å; A20-R24 PolarHBondContact O-N 3.36Å
21I75.1Confident65.7Low93 Ų93131.3 Ų131.348%0.47764%0.635SS.*Hα-helixtrans-68.9-42.6176.5-66.4166.2000110.5R17 E18 R23 R24 N25R17-I21 HydrophobicContact CG-CD1 4.3Å; R17-I21 WeakPolarHBondContact O-CG1 3.48Å; R17-I21 PolarHBondContact O-N 3.44Å; R17-I21 VanDerWaalsContact O-N 3.15Å; E18-I21 PolarHBondContact O-N 3.22Å; I21-R23 PolarHBondContact O-N 3.47Å; I21-R24 PolarHBondContact O-N 2.68Å; I21-R24 VanDerWaalsContact O-N 3.09Å; I21-N25 PolarHBondContact O-N 3.33Å
22E72.3Confident66Low102 Ų102129.3 Ų129.348%0.47762%0.624SS.*Hα-helixtrans-60.3-44.8177.3-171.7168.6-159.200111.7E18 R24 N25 I26E18-E22 WeakPolarHBondContact O-CB 3.24Å; E18-E22 PolarHBondContact O-N 3Å; E22-R24 VanDerWaalsContact C-N 3.28Å; E22-R24 PolarHBondContact O-N 3.22Å; E22-N25 PolarHBondContact O-N 3.44Å; E22-I26 HydrophobicContact CG-CD1 4.01Å; E22-I26 VanDerWaalsContact O-CG1 3.3Å; E22-I26 WeakPolarHBondContact O-CG1 3.36Å; E22-I26 PolarHBondContact O-N 2.81Å
23R70Confident65.8Low192 Ų192128.8 Ų128.873%0.72562%0.616SS**Hα-helixtrans-61.6-34.3173.9-74.7-178.6178.6-155.3-0.9113.1K19 I21 N27K19-R23 WeakPolarHBondContact O-CG 3.47Å; K19-R23 PolarHBondContact O-N 3.36Å; I21-R23 PolarHBondContact O-N 3.47Å; R23-N27 PolarHBondContact O-N 3.32Å; R23-N27 VanDerWaalsContact O-N 3.13Å
24R69.4Low65.5Low193 Ų193129.1 Ų129.173%0.72862%0.618SS**Hα-helixtrans-73.8-31.5179.1-144.9176.6-168.2175.53.4112.3A20 I21 E22 K28A20-R24 PolarHBondContact O-N 3.36Å; I21-R24 PolarHBondContact O-N 2.68Å; I21-R24 VanDerWaalsContact O-N 3.09Å; E22-R24 VanDerWaalsContact C-N 3.28Å; E22-R24 PolarHBondContact O-N 3.22Å; R24-K28 PolarHBondContact O-N 3.28Å
25N67.1Low64.9Low90 Ų90132.5 Ų132.548%0.48163%0.633SS.*Hα-helixtrans-73.9-43.9173.8-78.6-7.3000111.8I21 E22 N27 K28 E29I21-N25 PolarHBondContact O-N 3.33Å; E22-N25 PolarHBondContact O-N 3.44Å; N25-N27 VanDerWaalsContact C-N 3.31Å; N25-N27 PolarHBondContact O-N 2.77Å; N25-K28 WeakPolarHBondContact O-CB 3.44Å; N25-K28 PolarHBondContact O-N 3.11Å; N25-E29 PolarHBondContact O-N 2.67Å
26I64.7Low63.5Low75 Ų75133.9 Ų133.939%0.38565%0.649SS.*Hα-helixtrans-59.4-42.6176.5-67.6167.7000110.7E22 K28 E29 H30E22-I26 HydrophobicContact CG-CD1 4.01Å; E22-I26 VanDerWaalsContact O-CG1 3.3Å; E22-I26 WeakPolarHBondContact O-CG1 3.36Å; E22-I26 PolarHBondContact O-N 2.81Å; I26-K28 VanDerWaalsContact C-N 3.27Å; I26-K28 PolarHBondContact O-N 3.41Å; I26-E29 PolarHBondContact O-N 3.42Å; I26-H30 PolarHBondContact O-CD2 2.7Å; I26-H30 PolarHBondContact O-N 3.11Å; I26-H30 VanDerWaalsContact O-N 3.08Å
27N60.7Low62.7Low125 Ų125129.5 Ų129.567%0.66865%0.647SS**Hα-helixtrans-68.3-22.3176.1-102.5-0.6000114.2R23 N25 N31R23-N27 PolarHBondContact O-N 3.32Å; R23-N27 VanDerWaalsContact O-N 3.13Å; N25-N27 VanDerWaalsContact C-N 3.31Å; N25-N27 PolarHBondContact O-N 2.77Å; N27-N31 WeakPolarHBondContact O-CB 3.44Å
28K60.5Low61.6Low155 Ų155130.6 Ų130.667%0.67465%0.653SS**Hα-helixtrans-77-36.6172-81.4-177.2175.8-174.70111.8R24 N25 I26R24-K28 PolarHBondContact O-N 3.28Å; N25-K28 WeakPolarHBondContact O-CB 3.44Å; N25-K28 PolarHBondContact O-N 3.11Å; I26-K28 VanDerWaalsContact C-N 3.27Å; I26-K28 PolarHBondContact O-N 3.41Å
29E59.2Low60.9Low136 Ų136131.7 Ų131.764%0.63667%0.666SS**Hα-helixtrans-73-31.2178.6-71.6-175.116800113.3N25 I26 S32N25-E29 PolarHBondContact O-N 2.67Å; I26-E29 PolarHBondContact O-N 3.42Å; E29-S32 PolarHBondContact O-OG 3.24Å
30H57.2Low59.9Low132 Ų132130.6 Ų130.661%0.61167%0.671SS**Hα-helixtrans-82.6-15.3178.4-75.2-69.7000114.6I26I26-H30 PolarHBondContact O-CD2 2.7Å; I26-H30 PolarHBondContact O-N 3.11Å; I26-H30 VanDerWaalsContact O-N 3.08Å
31N52.7Low59.1Low147 Ų147134.3 Ų134.379%0.78668%0.681SS**SBendtrans-96.8-0.1-177-14914.1000114.2N27N27-N31 WeakPolarHBondContact O-CB 3.44Å
32S56.5Low58.1Low85 Ų85135.8 Ų135.859%0.59469%0.686SS**SBendtrans-1001.5174.857.10000114.1E29E29-S32 PolarHBondContact O-OG 3.24Å
33N54.1Low57.1Low129 Ų129138.5 Ų138.569%0.6970%0.699SS**THydrogen-bonded Turntrans-95.38.7-172.8-97.8-57000115.7
34F56.2Low56.4Low208 Ų208137.3 Ų137.391%0.91270%0.701SS**THydrogen-bonded Turntrans-114.112.9-179.8-97.1-79.3000115.4
35K50.3Low55.4Low198 Ų198136.7 Ų136.786%0.86170%0.699SS**SBendtrans-140.8120.4173.8-140.8174.1-175.8-178.20111.6
36A46.3Very low54.6Low103 Ų103138.8 Ų138.885%0.85171%0.71SS**  trans9411717100000116
37G52.9Low53.8Low77 Ų77143.5 Ų143.579%0.79473%0.73SS**  trans-63.7176.4-178.300000115.1
38Y49.7Very low53.2Low221 Ų221142.6 Ų142.687%0.86772%0.72SS**  trans86.989.4-167.8-117.5-92.5000114.3P40Y38-P40 WeakPolarHBondContact O-CD 3.37Å
39V57.3Low52.9Low128 Ų128142 Ų14278%0.77673%0.729SS**  trans-84.5110.9158.6-179.80000106I41V39-I41 PolarHBondContact O-N 3.42Å; V39-I41 VanDerWaalsContact O-N 3.1Å
40P54Low52.6Low95 Ų95137.8 Ų137.862%0.61772%0.723SS**  trans-63.8116.2172.226-31.1000107.9Y38 E42Y38-P40 WeakPolarHBondContact O-CD 3.37Å; P40-E42 PolarHBondContact O-N 3.31Å; P40-E42 VanDerWaalsContact O-N 3.08Å
41I55.5Low52.6Low136 Ų136137.8 Ų137.870%0.69773%0.727SS**  trans-74.598.4167-60.1171000105.4V39 E43V39-I41 PolarHBondContact O-N 3.42Å; V39-I41 VanDerWaalsContact O-N 3.1Å; I41-E43 PolarHBondContact O-N 2.99Å
42E53.4Low52.6Low125 Ų125140 Ų14058%0.58472%0.724SS**  trans-63.8102.3166.8-70175.8176.300108.3P40 E44 R45P40-E42 PolarHBondContact O-N 3.31Å; P40-E42 VanDerWaalsContact O-N 3.08Å; E42-E44 PolarHBondContact O-N 2.56Å; E42-E44 VanDerWaalsContact O-N 3.09Å; E42-R45 PolarHBondContact O-N 2.66Å
43E52.5Low52.9Low159 Ų159137.9 Ų137.974%0.74372%0.715SS**G310 helixtrans-58.2-21.4178.7-66.9-173.7162.800112.7I41 R45 L46I41-E43 PolarHBondContact O-N 2.99Å; E43-R45 PolarHBondContact O-N 2.9Å; E43-R45 VanDerWaalsContact O-N 3.16Å; E43-L46 PolarHBondContact O-N 3.05Å; E43-L46 VanDerWaalsContact O-N 3.16Å
44E53.7Low53.3Low166 Ų166142.6 Ų142.678%0.77672%0.724SS**G310 helixtrans-63.4-16.2171.9-73-165.9168.500114.3E42E42-E44 PolarHBondContact O-N 2.56Å; E42-E44 VanDerWaalsContact O-N 3.09Å
45R49.5Very low53.7Low181 Ų181140.3 Ų140.368%0.68371%0.713SS**G310 helixtrans-87.5-19.5174.9-80.7-152.2173.4-162.50.3114.1E42 E43E42-R45 PolarHBondContact O-N 2.66Å; E43-R45 PolarHBondContact O-N 2.9Å; E43-R45 VanDerWaalsContact O-N 3.16Å
46L49.3Very low54.6Low134 Ų134131.8 Ų131.870%0.70268%0.682SS**G310 helixtrans-80.5-27.8-179.7-121.175.4000112.6E43 K48E43-L46 PolarHBondContact O-N 3.05Å; E43-L46 VanDerWaalsContact O-N 3.16Å; L46-K48 PolarHBondContact O-N 3.01Å
47H47.5Very low55.9Low173 Ų173132.7 Ų132.780%0.80167%0.672SS**G310 helixtrans-7911173.6-72.8-81.5000114.5T49H47-T49 VanDerWaalsContact C-N 3.35Å
48K49.8Very low57.1Low107 Ų107134.9 Ų134.947%0.46566%0.663SS.*G310 helixtrans-91.521.4175.6-81.6-179.1-166.41740114.5L46 G50L46-K48 PolarHBondContact O-N 3.01Å; K48-G50 PolarHBondContact O-N 3.26Å; K48-G50 VanDerWaalsContact O-N 3.12Å
49T53.1Low58.7Low141 Ų141126.2 Ų126.287%0.86564%0.637SS**  trans-84.160.8163.147.40000110.5H47H47-T49 VanDerWaalsContact C-N 3.35Å
50G53.6Low60Low49 Ų49124.2 Ų124.251%0.50563%0.625SS.*SBendtrans-150122.617400000108.5K48 R52K48-G50 PolarHBondContact O-N 3.26Å; K48-G50 VanDerWaalsContact O-N 3.12Å; G50-R52 PolarHBondContact O-N 2.87Å
51L56.8Low61.5Low132 Ų132123.1 Ų123.169%0.69162%0.619SS**  trans-27.892.8-177.1-8672.4000113.6K55L51-K55 HydrophobicContact CD2-CB 4.25Å
52R52.3Low63.2Low194 Ų194121.3 Ų121.373%0.73261%0.61SS**  trans-85.7123.9-177.5-169.2174.7173.1113.7-3110.8G50G50-R52 PolarHBondContact O-N 2.87Å
53G64Low65Low40 Ų40120.6 Ų120.641%0.41261%0.609SS.*SBendtrans85.5-125.8163.100000114.9K55 G56 N57G53-K55 PolarHBondContact O-N 3Å; G53-G56 WeakPolarHBondContact O-CA 3.15Å; G53-G56 PolarHBondContact O-N 3.17Å; G53-N57 PolarHBondContact O-N 2.81Å
54R62.5Low66.9Low228 Ų228116.8 Ų116.886%0.8660%0.596SS**Hα-helixtrans-53.2-30.5-168.6-166.8172.1174.9173.9-1.9114.6M58R54-M58 WeakPolarHBondContact O-CG 3.48Å; R54-M58 PolarHBondContact O-N 3.42Å; R54-M58 VanDerWaalsContact O-N 3.14Å
55K63.8Low68.7Low159 Ų159113.6 Ų113.669%0.69158%0.584SS**Hα-helixtrans-76.8-35.2174.4-66.7-175.9178.8-178.60113L51 G53 M58 A59L51-K55 HydrophobicContact CD2-CB 4.25Å; G53-K55 PolarHBondContact O-N 3Å; K55-M58 PolarHBondContact O-N 3.38Å; K55-A59 PolarHBondContact O-N 3.36Å
56G69.1Low70.8Confident20 Ų20109.8 Ų109.821%0.20658%0.576CS.*Hα-helixtrans-67.7-41.3171.500000111.7G53 M58 A59 V60G53-G56 WeakPolarHBondContact O-CA 3.15Å; G53-G56 PolarHBondContact O-N 3.17Å; G56-M58 VanDerWaalsContact C-N 3.3Å; G56-M58 PolarHBondContact O-N 2.72Å; G56-A59 WeakPolarHBondContact O-CB 3.44Å; G56-A59 PolarHBondContact O-N 2.03Å; G56-A59 VanDerWaalsContact O-N 3.15Å; G56-V60 WeakPolarHBondContact O-CG2 3.29Å; G56-V60 PolarHBondContact O-N 3.44Å
57N73.1Confident73Confident121 Ų121109.8 Ų109.865%0.64757%0.571SS**Hα-helixtrans-64.7-34.5173.5-71.815.7000112.3G53 C61G53-N57 PolarHBondContact O-N 2.81Å; N57-C61 VanDerWaalsContact O-CB 3.26Å; N57-C61 WeakPolarHBondContact O-CB 3.23Å; N57-C61 PolarHBondContact O-N 2.93Å
58M79.3Confident75.3Confident124 Ų124106 Ų10661%0.61156%0.556SS**Hα-helixtrans-66.8-41.7170.6-82.7-64.2-136.500112.1R54 K55 G56 C61 I62R54-M58 WeakPolarHBondContact O-CG 3.48Å; R54-M58 PolarHBondContact O-N 3.42Å; R54-M58 VanDerWaalsContact O-N 3.14Å; K55-M58 PolarHBondContact O-N 3.38Å; G56-M58 VanDerWaalsContact C-N 3.3Å; G56-M58 PolarHBondContact O-N 2.72Å; M58-C61 WeakPolarHBondContact O-CB 2.99Å; M58-C61 PolarHBondContact O-N 3.14Å; M58-I62 VanDerWaalsContact O-CG1 3.28Å; M58-I62 WeakPolarHBondContact O-CG1 2.94Å; M58-I62 PolarHBondContact O-N 2.87Å
59A81.9Confident77.4Confident39 Ų39104.9 Ų104.932%0.32256%0.555SS.*Hα-helixtrans-62.5-43174.900000111.6K55 G56 I62 I63K55-A59 PolarHBondContact O-N 3.36Å; G56-A59 WeakPolarHBondContact O-CB 3.44Å; G56-A59 PolarHBondContact O-N 2.03Å; G56-A59 VanDerWaalsContact O-N 3.15Å; A59-I62 PolarHBondContact O-N 3.31Å; A59-I63 WeakPolarHBondContact O-CD1 3.44Å; A59-I63 VanDerWaalsContact O-CG1 3.22Å; A59-I63 WeakPolarHBondContact O-CG1 3.44Å; A59-I63 PolarHBondContact O-N 3.49Å
60V85.5Confident79.4Confident85 Ų85100.9 Ų100.952%0.51554%0.536SS..Hα-helixtrans-63.2-42173.8173.60000110.9G56 I62 I63 V64G56-V60 WeakPolarHBondContact O-CG2 3.29Å; G56-V60 PolarHBondContact O-N 3.44Å; V60-I62 VanDerWaalsContact C-N 3.35Å; V60-I62 PolarHBondContact O-N 3.41Å; V60-I63 PolarHBondContact O-N 3.26Å; V60-V64 HydrophobicContact CG1-CG2 4.37Å; V60-V64 WeakPolarHBondContact O-CB 3.2Å; V60-V64 VanDerWaalsContact O-CG2 3.29Å; V60-V64 WeakPolarHBondContact O-CG2 3.33Å; V60-V64 PolarHBondContact O-N 3.41Å
61C86.3Confident81.5Confident73 Ų73101.7 Ų101.749%0.49353%0.529SS..Hα-helixtrans-60-44.2175-172.30000111.8N57 M58 V64 L65N57-C61 VanDerWaalsContact O-CB 3.26Å; N57-C61 WeakPolarHBondContact O-CB 3.23Å; N57-C61 PolarHBondContact O-N 2.93Å; M58-C61 WeakPolarHBondContact O-CB 2.99Å; M58-C61 PolarHBondContact O-N 3.14Å; C61-V64 PolarHBondContact O-N 3Å; C61-L65 WeakPolarHBondContact O-CB 3.36Å; C61-L65 PolarHBondContact O-N 2.76Å
62I89.3Confident83.4Confident98 Ų9899.8 Ų99.850%0.50352%0.518SS..Hα-helixtrans-63.7-42.9175.5-68.7165.5000110.8M58 A59 V60 V64 L65 L66M58-I62 VanDerWaalsContact O-CG1 3.28Å; M58-I62 WeakPolarHBondContact O-CG1 2.94Å; M58-I62 PolarHBondContact O-N 2.87Å; A59-I62 PolarHBondContact O-N 3.31Å; V60-I62 VanDerWaalsContact C-N 3.35Å; V60-I62 PolarHBondContact O-N 3.41Å; I62-V64 PolarHBondContact O-N 3.47Å; I62-L65 PolarHBondContact O-N 3.33Å; I62-L66 HydrophobicContact CG2-CD1 4.02Å; I62-L66 HydrophobicContact CG2-CG 4.33Å; I62-L66 WeakPolarHBondContact O-CB 3.35Å; I62-L66 VanDerWaalsContact O-CG 3.31Å; I62-L66 WeakPolarHBondContact O-CG 3.47Å; I62-L66 PolarHBondContact O-N 2.9Å
63I91.8Very high85.4Confident110 Ų11095.1 Ų95.156%0.56451%0.508SS*.Hα-helixtrans-62.3-43.8176.9-70.1163.9000110.8A59 V60 L65 L66 F67A59-I63 WeakPolarHBondContact O-CD1 3.44Å; A59-I63 VanDerWaalsContact O-CG1 3.22Å; A59-I63 WeakPolarHBondContact O-CG1 3.44Å; A59-I63 PolarHBondContact O-N 3.49Å; V60-I63 PolarHBondContact O-N 3.26Å; I63-L65 VanDerWaalsContact C-N 3.33Å; I63-L65 PolarHBondContact O-N 2.82Å; I63-L66 PolarHBondContact O-N 2.79Å; I63-F67 VanDerWaalsContact O-CB 3.32Å; I63-F67 WeakPolarHBondContact O-CB 3.2Å; I63-F67 PolarHBondContact O-N 3.44Å
64V92.9Very high86.8Confident78 Ų7897.9 Ų97.947%0.47351%0.513SS..Hα-helixtrans-63.3-41.1175.9170.90000110.8V60 C61 I62 F67 L68V60-V64 HydrophobicContact CG1-CG2 4.37Å; V60-V64 WeakPolarHBondContact O-CB 3.2Å; V60-V64 VanDerWaalsContact O-CG2 3.29Å; V60-V64 WeakPolarHBondContact O-CG2 3.33Å; V60-V64 PolarHBondContact O-N 3.41Å; C61-V64 PolarHBondContact O-N 3Å; I62-V64 PolarHBondContact O-N 3.47Å; V64-F67 WeakPolarHBondContact O-CB 3.12Å; V64-F67 PolarHBondContact O-N 3.28Å; V64-L68 HydrophobicContact CG1-CD1 4.28Å; V64-L68 WeakPolarHBondContact O-CG 3.18Å; V64-L68 PolarHBondContact O-N 3.12Å
65L91.8Very high88.4Confident99 Ų9991.3 Ų91.352%0.51849%0.494SS..Hα-helixtrans-66.9-41.2177.7-170.7142.4000111.9C61 I62 I63 F67 L68 L69C61-L65 WeakPolarHBondContact O-CB 3.36Å; C61-L65 PolarHBondContact O-N 2.76Å; I62-L65 PolarHBondContact O-N 3.33Å; I63-L65 VanDerWaalsContact C-N 3.33Å; I63-L65 PolarHBondContact O-N 2.82Å; L65-F67 VanDerWaalsContact C-N 3.33Å; L65-L68 PolarHBondContact O-N 3.09Å; L65-L69 HydrophobicContact CD2-CD1 3.76Å; L65-L69 HydrophobicContact CD2-CG 4.41Å; L65-L69 WeakPolarHBondContact O-CG 3.34Å; L65-L69 PolarHBondContact O-N 3.13Å
66L93.5Very high89.8Confident101 Ų10187.6 Ų87.653%0.52948%0.481SS..Hα-helixtrans-63.6-39.2172.2-73.1174.1000111.6I62 I63 L69 A70I62-L66 HydrophobicContact CG2-CD1 4.02Å; I62-L66 HydrophobicContact CG2-CG 4.33Å; I62-L66 WeakPolarHBondContact O-CB 3.35Å; I62-L66 VanDerWaalsContact O-CG 3.31Å; I62-L66 WeakPolarHBondContact O-CG 3.47Å; I62-L66 PolarHBondContact O-N 2.9Å; I63-L66 PolarHBondContact O-N 2.79Å; L66-L69 PolarHBondContact O-N 2.78Å; L66-A70 WeakPolarHBondContact O-CB 3.22Å; L66-A70 PolarHBondContact O-N 3.45Å
67F95.1Very high90.7Very high134 Ų13490.4 Ų90.459%0.58849%0.494SS*.Hα-helixtrans-64.7-44.1175.2-177-102.9000111.3I63 V64 L65 A70 L71I63-F67 VanDerWaalsContact O-CB 3.32Å; I63-F67 WeakPolarHBondContact O-CB 3.2Å; I63-F67 PolarHBondContact O-N 3.44Å; V64-F67 WeakPolarHBondContact O-CB 3.12Å; V64-F67 PolarHBondContact O-N 3.28Å; L65-F67 VanDerWaalsContact C-N 3.33Å; F67-A70 PolarHBondContact O-N 3.31Å; F67-L71 HydrophobicContact CD1-CD1 4.37Å; F67-L71 HydrophobicContact CE1-CD1 3.72Å; F67-L71 HydrophobicContact CZ-CD1 4.18Å; F67-L71 WeakPolarHBondContact O-CB 3.39Å; F67-L71 PolarHBondContact O-N 2.94Å
68L95.2Very high91.5Very high94 Ų9488.6 Ų88.649%0.49248%0.484SS..Hα-helixtrans-62-42.7174.4-73.9174.2000111.9V64 L65 A70 L71 I72V64-L68 HydrophobicContact CG1-CD1 4.28Å; V64-L68 WeakPolarHBondContact O-CG 3.18Å; V64-L68 PolarHBondContact O-N 3.12Å; L65-L68 PolarHBondContact O-N 3.09Å; L68-A70 VanDerWaalsContact C-N 3.35Å; L68-A70 PolarHBondContact O-N 3.05Å; L68-L71 PolarHBondContact O-N 3.12Å; L68-I72 VanDerWaalsContact O-CG1 3.29Å; L68-I72 WeakPolarHBondContact O-CG1 2.99Å; L68-I72 PolarHBondContact O-N 3.42Å
69L95.1Very high92Very high84 Ų8486.4 Ų86.444%0.4448%0.477SS..Hα-helixtrans-60.3-44.4173.7-79.4170.3000111.6L65 L66 L71 I72 N73L65-L69 HydrophobicContact CD2-CD1 3.76Å; L65-L69 HydrophobicContact CD2-CG 4.41Å; L65-L69 WeakPolarHBondContact O-CG 3.34Å; L65-L69 PolarHBondContact O-N 3.13Å; L66-L69 PolarHBondContact O-N 2.78Å; L69-L71 VanDerWaalsContact C-N 3.32Å; L69-L71 PolarHBondContact O-N 3.06Å; L69-I72 PolarHBondContact O-N 3.19Å; L69-N73 WeakPolarHBondContact O-CB 3.42Å; L69-N73 VanDerWaalsContact O-CG 3.24Å; L69-N73 PolarHBondContact O-N 2.89Å; L69-N73 PolarHBondContact O-ND2 2.86Å
70A95.4Very high92.2Very high57 Ų5788.7 Ų88.747%0.47148%0.483SS..Hα-helixtrans-62.7-39.4175.600000111.8L66 F67 L68 N73 L74L66-A70 WeakPolarHBondContact O-CB 3.22Å; L66-A70 PolarHBondContact O-N 3.45Å; F67-A70 PolarHBondContact O-N 3.31Å; L68-A70 VanDerWaalsContact C-N 3.35Å; L68-A70 PolarHBondContact O-N 3.05Å; A70-N73 PolarHBondContact O-N 3.08Å; A70-L74 VanDerWaalsContact O-CB 3.29Å; A70-L74 WeakPolarHBondContact O-CB 3.29Å; A70-L74 PolarHBondContact O-N 3.39Å
71L96.4Very high92Very high66 Ų6691 Ų9135%0.34648%0.482SS..Hα-helixtrans-68-42.7178.7-141.7166.4000111.3F67 L68 L69 L74 I75F67-L71 HydrophobicContact CD1-CD1 4.37Å; F67-L71 HydrophobicContact CE1-CD1 3.72Å; F67-L71 HydrophobicContact CZ-CD1 4.18Å; F67-L71 WeakPolarHBondContact O-CB 3.39Å; F67-L71 PolarHBondContact O-N 2.94Å; L68-L71 PolarHBondContact O-N 3.12Å; L69-L71 VanDerWaalsContact C-N 3.32Å; L69-L71 PolarHBondContact O-N 3.06Å; L71-L74 WeakPolarHBondContact O-CB 3.47Å; L71-L74 PolarHBondContact O-N 3.49Å; L71-I75 HydrophobicContact CD2-CD1 3.57Å; L71-I75 HydrophobicContact CD2-CG1 4.03Å; L71-I75 VanDerWaalsContact O-CG1 3.28Å; L71-I75 WeakPolarHBondContact O-CG1 3.49Å; L71-I75 PolarHBondContact O-N 2.92Å
72I96.3Very high91.7Very high91 Ų9192.1 Ų92.147%0.46749%0.487SS..Hα-helixtrans-62.1-46.9173.7-69.2166.1000110.1L68 L69 L74 I75 I76L68-I72 VanDerWaalsContact O-CG1 3.29Å; L68-I72 WeakPolarHBondContact O-CG1 2.99Å; L68-I72 PolarHBondContact O-N 3.42Å; L69-I72 PolarHBondContact O-N 3.19Å; I72-L74 VanDerWaalsContact C-N 3.29Å; I72-L74 PolarHBondContact O-N 3.17Å; I72-I75 PolarHBondContact O-N 2.01Å; I72-I76 HydrophobicContact CG2-CD1 3.77Å; I72-I76 HydrophobicContact CG2-CG1 4.38Å; I72-I76 VanDerWaalsContact O-CG1 3.3Å; I72-I76 WeakPolarHBondContact O-CG1 3.42Å; I72-I76 PolarHBondContact O-N 3.34Å
73N94.9Very high91.2Very high97 Ų9792.7 Ų92.752%0.51950%0.495SS..Hα-helixtrans-62-38177.1-73.7-28000111.8L69 A70 I76 T77L69-N73 WeakPolarHBondContact O-CB 3.42Å; L69-N73 VanDerWaalsContact O-CG 3.24Å; L69-N73 PolarHBondContact O-N 2.89Å; L69-N73 PolarHBondContact O-ND2 2.86Å; A70-N73 PolarHBondContact O-N 3.08Å; N73-I76 PolarHBondContact O-N 3.03Å; N73-T77 WeakPolarHBondContact O-CG2 3.25Å; N73-T77 PolarHBondContact O-N 3.41Å; N73-T77 PolarHBondContact O-OG1 2.81Å; N73-T77 VanDerWaalsContact O-OG1 3.13Å
74L94.2Very high90.4Very high98 Ų9891.3 Ų91.351%0.51349%0.488SS..Hα-helixtrans-64.5-42.9173.8-179.267.1000111.7A70 L71 I72 T77 L78A70-L74 VanDerWaalsContact O-CB 3.29Å; A70-L74 WeakPolarHBondContact O-CB 3.29Å; A70-L74 PolarHBondContact O-N 3.39Å; L71-L74 WeakPolarHBondContact O-CB 3.47Å; L71-L74 PolarHBondContact O-N 3.49Å; I72-L74 VanDerWaalsContact C-N 3.29Å; I72-L74 PolarHBondContact O-N 3.17Å; L74-T77 WeakPolarHBondContact CA-OG1 3.3Å; L74-T77 PolarHBondContact O-N 3.02Å; L74-T77 PolarHBondContact O-OG1 2.89Å; L74-L78 HydrophobicContact CG-CD1 4.32Å; L74-L78 WeakPolarHBondContact O-CB 3.19Å; L74-L78 VanDerWaalsContact O-CG 3.27Å; L74-L78 WeakPolarHBondContact O-CG 3.45Å; L74-L78 PolarHBondContact O-N 3.28Å
75I94.5Very high89.4Confident89 Ų8994.9 Ų94.946%0.45649%0.493SS..Hα-helixtrans-63.5-45.4176.1-69.7165.3000109.9L71 I72 T77 L78 V79L71-I75 HydrophobicContact CD2-CD1 3.57Å; L71-I75 HydrophobicContact CD2-CG1 4.03Å; L71-I75 VanDerWaalsContact O-CG1 3.28Å; L71-I75 WeakPolarHBondContact O-CG1 3.49Å; L71-I75 PolarHBondContact O-N 2.92Å; I72-I75 PolarHBondContact O-N 2.01Å; I75-T77 VanDerWaalsContact C-N 3.34Å; I75-T77 PolarHBondContact O-N 3.32Å; I75-L78 PolarHBondContact O-N 3.42Å; I75-V79 HydrophobicContact CG2-CG2 4.26Å; I75-V79 WeakPolarHBondContact O-CB 3.5Å; I75-V79 VanDerWaalsContact O-CG2 3.28Å; I75-V79 WeakPolarHBondContact O-CG2 3.44Å; I75-V79 PolarHBondContact O-N 3.12Å
76I93.3Very high88.4Confident82 Ų8293.5 Ų93.542%0.42149%0.485SS..Hα-helixtrans-59.6-45.7178.2-69167.9000110.5I72 N73 L78 V79 I80I72-I76 HydrophobicContact CG2-CD1 3.77Å; I72-I76 HydrophobicContact CG2-CG1 4.38Å; I72-I76 VanDerWaalsContact O-CG1 3.3Å; I72-I76 WeakPolarHBondContact O-CG1 3.42Å; I72-I76 PolarHBondContact O-N 3.34Å; N73-I76 PolarHBondContact O-N 3.03Å; I76-L78 PolarHBondContact O-N 3.31Å; I76-V79 PolarHBondContact O-N 2.96Å; I76-I80 HydrophobicContact CG2-CD1 3.79Å; I76-I80 HydrophobicContact CG2-CG1 4.4Å; I76-I80 VanDerWaalsContact O-CG1 3.28Å; I76-I80 WeakPolarHBondContact O-CG1 3.26Å; I76-I80 PolarHBondContact O-N 3.29Å
77T89.8Confident87Confident78 Ų7890.2 Ų90.248%0.47948%0.475SS..Hα-helixtrans-65.4-38.9178.652.90000112.2N73 L74 I75 I80 W81N73-T77 WeakPolarHBondContact O-CG2 3.25Å; N73-T77 PolarHBondContact O-N 3.41Å; N73-T77 PolarHBondContact O-OG1 2.81Å; N73-T77 VanDerWaalsContact O-OG1 3.13Å; L74-T77 WeakPolarHBondContact CA-OG1 3.3Å; L74-T77 PolarHBondContact O-N 3.02Å; L74-T77 PolarHBondContact O-OG1 2.89Å; I75-T77 VanDerWaalsContact C-N 3.34Å; I75-T77 PolarHBondContact O-N 3.32Å; T77-I80 PolarHBondContact O-N 2.79Å; T77-W81 VanDerWaalsContact O-CB 3.32Å; T77-W81 WeakPolarHBondContact O-CB 2.98Å; T77-W81 PolarHBondContact O-N 3.41Å
78L88.4Confident85.3Confident84 Ų8489.8 Ų89.844%0.4449%0.486SS..Hα-helixtrans-63.8-41.8173-71.7175.5000112.3L74 I75 I76 W81 T82L74-L78 HydrophobicContact CG-CD1 4.32Å; L74-L78 WeakPolarHBondContact O-CB 3.19Å; L74-L78 VanDerWaalsContact O-CG 3.27Å; L74-L78 WeakPolarHBondContact O-CG 3.45Å; L74-L78 PolarHBondContact O-N 3.28Å; I75-L78 PolarHBondContact O-N 3.42Å; I76-L78 PolarHBondContact O-N 3.31Å; L78-W81 HydrophobicContact CD2-CE3 4.12Å; L78-W81 PolarHBondContact O-N 2.69Å; L78-T82 WeakPolarHBondContact O-CG2 3.44Å; L78-T82 PolarHBondContact O-N 2.67Å; L78-T82 PolarHBondContact O-OG1 3.34Å
79V89.6Confident83.5Confident78 Ų7893.4 Ų93.447%0.47351%0.506SS..Hα-helixtrans-62-45.7174.9171.30000110.5I75 I76 W81 T82 V83I75-V79 HydrophobicContact CG2-CG2 4.26Å; I75-V79 WeakPolarHBondContact O-CB 3.5Å; I75-V79 VanDerWaalsContact O-CG2 3.28Å; I75-V79 WeakPolarHBondContact O-CG2 3.44Å; I75-V79 PolarHBondContact O-N 3.12Å; I76-V79 PolarHBondContact O-N 2.96Å; V79-W81 VanDerWaalsContact C-N 3.31Å; V79-W81 PolarHBondContact O-N 3.3Å; V79-T82 WeakPolarHBondContact CA-OG1 2.97Å; V79-T82 PolarHBondContact O-N 2.89Å; V79-T82 PolarHBondContact O-OG1 3.1Å; V79-V83 HydrophobicContact CG1-CG2 4.15Å; V79-V83 WeakPolarHBondContact O-CB 3.22Å; V79-V83 WeakPolarHBondContact O-CG2 3.24Å; V79-V83 PolarHBondContact O-N 2.94Å
80I86.3Confident82.2Confident87 Ų8791.1 Ų91.145%0.44650%0.503SS..Hα-helixtrans-59.8-44.8175.4-69.5168.6000110.5I76 T77 T82 V83 I84I76-I80 HydrophobicContact CG2-CD1 3.79Å; I76-I80 HydrophobicContact CG2-CG1 4.4Å; I76-I80 VanDerWaalsContact O-CG1 3.28Å; I76-I80 WeakPolarHBondContact O-CG1 3.26Å; I76-I80 PolarHBondContact O-N 3.29Å; T77-I80 PolarHBondContact O-N 2.79Å; I80-T82 VanDerWaalsContact C-N 3.34Å; I80-T82 PolarHBondContact O-N 3.36Å; I80-V83 PolarHBondContact O-N 3.39Å; I80-I84 HydrophobicContact CG2-CD1 3.5Å; I80-I84 VanDerWaalsContact CG2-CD1 3.5Å; I80-I84 HydrophobicContact CG2-CG1 4.21Å; I80-I84 WeakPolarHBondContact O-CG1 3.49Å; I80-I84 PolarHBondContact O-N 3.27Å
81W82.6Confident81.1Confident133 Ų13390 Ų9050%0.50449%0.491SS..Hα-helixtrans-61.5-43.5-178.7-165.237.8000112.2T77 L78 V79 R85 I86T77-W81 VanDerWaalsContact O-CB 3.32Å; T77-W81 WeakPolarHBondContact O-CB 2.98Å; T77-W81 PolarHBondContact O-N 3.41Å; L78-W81 HydrophobicContact CD2-CE3 4.12Å; L78-W81 PolarHBondContact O-N 2.69Å; V79-W81 VanDerWaalsContact C-N 3.31Å; V79-W81 PolarHBondContact O-N 3.3Å; W81-R85 PolarHBondContact O-N 3.42Å; W81-I86 PolarHBondContact NE1-O 2.81Å; W81-I86 PolarHBondContact O-N 3.12Å
82T78.9Confident80Confident97 Ų9790.6 Ų90.660%0.59550%0.495SS*.Hα-helixtrans-68.5-40.4175.949.90000113.1L78 V79 I80 R85L78-T82 WeakPolarHBondContact O-CG2 3.44Å; L78-T82 PolarHBondContact O-N 2.67Å; L78-T82 PolarHBondContact O-OG1 3.34Å; V79-T82 WeakPolarHBondContact CA-OG1 2.97Å; V79-T82 PolarHBondContact O-N 2.89Å; V79-T82 PolarHBondContact O-OG1 3.1Å; I80-T82 VanDerWaalsContact C-N 3.34Å; I80-T82 PolarHBondContact O-N 3.36Å; T82-R85 PolarHBondContact O-N 3.12Å
83V80.1Confident78.9Confident109 Ų10988.5 Ų88.566%0.66149%0.488SS*.Hα-helixtrans-70.6-43-179.6170.70000111.9V79 I80 R85V79-V83 HydrophobicContact CG1-CG2 4.15Å; V79-V83 WeakPolarHBondContact O-CB 3.22Å; V79-V83 WeakPolarHBondContact O-CG2 3.24Å; V79-V83 PolarHBondContact O-N 2.94Å; I80-V83 PolarHBondContact O-N 3.39Å; V83-R85 PolarHBondContact O-N 3.12Å
84I74.9Confident78.3Confident82 Ų8286.4 Ų86.442%0.42148%0.476SS..Hα-helixtrans-73.3-10.2177.3-54.4174.6000111I80 I86I80-I84 HydrophobicContact CG2-CD1 3.5Å; I80-I84 VanDerWaalsContact CG2-CD1 3.5Å; I80-I84 HydrophobicContact CG2-CG1 4.21Å; I80-I84 WeakPolarHBondContact O-CG1 3.49Å; I80-I84 PolarHBondContact O-N 3.27Å; I84-I86 HydrophobicContact CB-CD1 4Å; I84-I86 HydrophobicContact CB-CG1 3.89Å; I84-I86 HydrophobicContact CD1-CD1 4.42Å; I84-I86 HydrophobicContact CG2-CD1 3.65Å; I84-I86 HydrophobicContact CG2-CG1 3.51Å; I84-I86 PolarHBondContact O-N 2.86Å
85R70.6Confident77.8Confident153 Ų15385.1 Ų85.158%0.57747%0.467SS*.THydrogen-bonded Turntrans5142.4-176.3-58.3-175.1-179.6-175.52.3111.8W81 T82 V83 G87 D92W81-R85 PolarHBondContact O-N 3.42Å; T82-R85 PolarHBondContact O-N 3.12Å; V83-R85 PolarHBondContact O-N 3.12Å; R85-G87 PolarHBondContact O-N 3.22Å; R85-G87 VanDerWaalsContact O-N 3.16Å; R85-D92 HydrophobicContact CB-CB 4.13Å; R85-D92 IonicContact NH1-OD2 3.86Å; R85-D92 PolarHBondContact O-N 3.16Å
86I71.3Confident77.3Confident70 Ų7088.1 Ų88.136%0.35948%0.477SS..EExtended strand (participates in β ladder)trans-79.199.4171.7-58.6171.2000105.5W81 I84 G90W81-I86 PolarHBondContact NE1-O 2.81Å; W81-I86 PolarHBondContact O-N 3.12Å; I84-I86 HydrophobicContact CB-CD1 4Å; I84-I86 HydrophobicContact CB-CG1 3.89Å; I84-I86 HydrophobicContact CD1-CD1 4.42Å; I84-I86 HydrophobicContact CG2-CD1 3.65Å; I84-I86 HydrophobicContact CG2-CG1 3.51Å; I84-I86 PolarHBondContact O-N 2.86Å; I86-G90 CarbonylContact C-O 3.57Å
87G64.4Low76.7Confident31 Ų3189.5 Ų89.532%0.3248%0.482SS..EExtended strand (participates in β ladder)trans-78.4170.9172.500000111.6R85 N89 G90R85-G87 PolarHBondContact O-N 3.22Å; R85-G87 VanDerWaalsContact O-N 3.16Å; G87-N89 PolarHBondContact O-N 2.91Å; G87-N89 VanDerWaalsContact O-N 3.07Å; G87-G90 PolarHBondContact N-O 2.78Å; G87-G90 PolarHBondContact O-N 2.85Å
88P59.1Low76.1Confident125 Ų12595.4 Ų95.481%0.81250%0.504SS*.THydrogen-bonded Turntrans-58.2-17.2168.322.2-31.1000113.3
89N58Low75.7Confident171 Ų17195.7 Ų95.791%0.91451%0.513SS*.THydrogen-bonded Turntrans-98.19.3176.1-58.8-21.8000113.5G87G87-N89 PolarHBondContact O-N 2.91Å; G87-N89 VanDerWaalsContact O-N 3.07Å
90G66.3Low75.2Confident36 Ų3695.4 Ų95.437%0.37153%0.526SS..EExtended strand (participates in β ladder)trans108.3-167.7179.700000114.6I86 G87I86-G90 CarbonylContact C-O 3.57Å; G87-G90 PolarHBondContact N-O 2.78Å; G87-G90 PolarHBondContact O-N 2.85Å
91C73.6Confident75Confident34 Ų3495.8 Ų95.823%0.2353%0.528CS..EExtended strand (participates in β ladder)trans-81.7128.6179.4-172.60000110.9S93 M94C91-S93 VanDerWaalsContact C-N 3.3Å; C91-S93 PolarHBondContact O-N 2.75Å; C91-S93 PolarHBondContact SG-OG 2.79Å; C91-M94 WeakPolarHBondContact CB-O 2.89Å; C91-M94 VanDerWaalsContact O-O 3.06Å
92D71.8Confident75.1Confident78 Ų7893 Ų9342%0.41752%0.522SS..SBendtrans-70.5-27.2-178.7-17137.6000112.6R85 K105 Q106R85-D92 HydrophobicContact CB-CB 4.13Å; R85-D92 IonicContact NH1-OD2 3.86Å; R85-D92 PolarHBondContact O-N 3.16Å; D92-K105 VanDerWaalsContact O-CB 3.27Å; D92-K105 WeakPolarHBondContact O-CB 3.41Å; D92-K105 WeakPolarHBondContact O-CD 3.5Å; D92-Q106 PolarHBondContact OD2-NE2 2.9Å; D92-Q106 VanDerWaalsContact OD2-NE2 3.12Å
93S75.1Confident75.4Confident46 Ų4693.2 Ų93.232%0.32251%0.513SS..SBendtrans-90.5-23.1-176.862.50000113.9C91 K105C91-S93 VanDerWaalsContact C-N 3.3Å; C91-S93 PolarHBondContact O-N 2.75Å; C91-S93 PolarHBondContact SG-OG 2.79Å; S93-K105 PolarHBondContact O-N 3.35Å
94M82.1Confident75.8Confident54 Ų5491.7 Ų91.727%0.26650%0.497SS..EExtended strand (participates in β ladder)trans-147.4139.4-170.8-169.1166.568.300112.2C91 F96 L102 R103 F104C91-M94 WeakPolarHBondContact CB-O 2.89Å; C91-M94 VanDerWaalsContact O-O 3.06Å; M94-F96 HydrophobicContact CE-CE2 3.6Å; M94-F96 HydrophobicContact CE-CZ 3.47Å; M94-F96 VanDerWaalsContact CE-CZ 3.47Å; M94-F96 HydrophobicContact SD-CZ 4.31Å; M94-L102 HydrophobicContact CE-CD1 4.35Å; M94-L102 HydrophobicContact CG-CD1 3.39Å; M94-L102 HydrophobicContact CG-CG 4.2Å; M94-L102 HydrophobicContact SD-CD1 3.46Å; M94-L102 WeakPolarHBondContact SD-CD1 3.21Å; M94-L102 HydrophobicContact SD-CD2 3.97Å; M94-L102 HydrophobicContact SD-CG 4.02Å; M94-R103 CarbonylContact C-O 3.43Å; M94-R103 WeakPolarHBondContact CA-O 3.4Å; M94-F104 HydrophobicContact CG-CD1 4.34Å; M94-F104 HydrophobicContact CG-CE1 4.21Å; M94-F104 HydrophobicContact SD-CD1 4.27Å; M94-F104 HydrophobicContact SD-CE1 3.59Å; M94-F104 VanDerWaalsContact SD-CE1 3.59Å; M94-F104 HydrophobicContact SD-CZ 4.08Å
95E83.3Confident76.2Confident71 Ų7192 Ų9233%0.33250%0.495SS..EExtended strand (participates in β ladder)trans-130.3129.8-179.8179.7174.9-164.100109.9R103 K105E95-R103 HydrophobicContact CB-CB 4.36Å; E95-R103 PolarHBondContact N-O 3.22Å; E95-R103 PolarHBondContact O-N 3.01Å; E95-K105 WeakPolarHBondContact OE2-CE 3.4Å; E95-K105 IonicContact OE2-NZ 3.66Å; E95-K105 PolarHBondContact OE2-NZ 3.28Å; E95-K105 VanDerWaalsContact OE2-NZ 3.17Å
96F82.7Confident76.8Confident151 Ų15188.9 Ų88.966%0.66249%0.488SS*.EExtended strand (participates in β ladder)trans-97117.3172.5-64.8-87.3000108.2M94 L102M94-F96 HydrophobicContact CE-CE2 3.6Å; M94-F96 HydrophobicContact CE-CZ 3.47Å; M94-F96 VanDerWaalsContact CE-CZ 3.47Å; M94-F96 HydrophobicContact SD-CZ 4.31Å; F96-L102 HydrophobicContact CD1-CD1 3.53Å; F96-L102 HydrophobicContact CE1-CD1 3.32Å; F96-L102 HydrophobicContact CE2-CD1 4.34Å; F96-L102 HydrophobicContact CG-CD1 4.14Å; F96-L102 HydrophobicContact CZ-CD1 3.77Å
97H81.1Confident77.4Confident111 Ų11196 Ų9651%0.51452%0.516SS..  trans-83.2149.3173.7-156.9-104.3000109.9S99 G100 L101H97-S99 PolarHBondContact ND1-OG 3.44Å; H97-S99 PolarHBondContact O-N 2.92Å; H97-S99 VanDerWaalsContact O-N 3.1Å; H97-G100 PolarHBondContact O-N 3.49Å; H97-L101 HydrophobicContact CB-CB 3.91Å; H97-L101 PolarHBondContact N-O 3.06Å
98E76.9Confident78.3Confident203 Ų20396.6 Ų96.695%0.94952%0.518SS*.THydrogen-bonded Turntrans-59.3-25.1177.5-65.2-175.1168.700112.7G100E98-G100 PolarHBondContact O-N 3.15Å; E98-G100 VanDerWaalsContact O-N 3.16Å
99S80.7Confident79.5Confident90 Ų9099 Ų9963%0.62952%0.524SS*.THydrogen-bonded Turntrans-72.52.9174.168.10000114.2H97 L101H97-S99 PolarHBondContact ND1-OG 3.44Å; H97-S99 PolarHBondContact O-N 2.92Å; H97-S99 VanDerWaalsContact O-N 3.1Å; S99-L101 VanDerWaalsContact C-N 3.32Å
100G78.5Confident80.7Confident72 Ų7294.2 Ų94.274%0.74250%0.497SS*.SBendtrans79.59.3-175.200000114.5H97 E98H97-G100 PolarHBondContact O-N 3.49Å; E98-G100 PolarHBondContact O-N 3.15Å; E98-G100 VanDerWaalsContact O-N 3.16Å
101L82.8Confident81.7Confident95 Ų9594.8 Ų94.850%0.49750%0.502SS..  trans-78.5126.2176.9-176.773.6000110.1H97 S99H97-L101 HydrophobicContact CB-CB 3.91Å; H97-L101 PolarHBondContact N-O 3.06Å; S99-L101 VanDerWaalsContact C-N 3.32Å
102L85.4Confident82.5Confident73 Ų7398.1 Ų98.138%0.38252%0.517SS..EExtended strand (participates in β ladder)trans-92.2117.3170.2-172.458.6000110.2M94 F96 F104M94-L102 HydrophobicContact CE-CD1 4.35Å; M94-L102 HydrophobicContact CG-CD1 3.39Å; M94-L102 HydrophobicContact CG-CG 4.2Å; M94-L102 HydrophobicContact SD-CD1 3.46Å; M94-L102 WeakPolarHBondContact SD-CD1 3.21Å; M94-L102 HydrophobicContact SD-CD2 3.97Å; M94-L102 HydrophobicContact SD-CG 4.02Å; F96-L102 HydrophobicContact CD1-CD1 3.53Å; F96-L102 HydrophobicContact CE1-CD1 3.32Å; F96-L102 HydrophobicContact CE2-CD1 4.34Å; F96-L102 HydrophobicContact CG-CD1 4.14Å; F96-L102 HydrophobicContact CZ-CD1 3.77Å; L102-F104 HydrophobicContact CD2-CE1 4.44Å; L102-F104 HydrophobicContact CD2-CE2 3.86Å; L102-F104 HydrophobicContact CD2-CZ 3.54Å; L102-F104 HydrophobicContact CG-CE2 3.98Å; L102-F104 HydrophobicContact CG-CZ 3.97Å
103R85.8Confident83.3Confident103 Ų10396 Ų9639%0.38951%0.507SS..EExtended strand (participates in β ladder)trans-110.6124.1179.7-179.5-179.8177.6178.31.1110.8M94 E95M94-R103 CarbonylContact C-O 3.43Å; M94-R103 WeakPolarHBondContact CA-O 3.4Å; E95-R103 HydrophobicContact CB-CB 4.36Å; E95-R103 PolarHBondContact N-O 3.22Å; E95-R103 PolarHBondContact O-N 3.01Å
104F87.3Confident84Confident77 Ų7799.7 Ų99.734%0.33852%0.519SS..EExtended strand (participates in β ladder)trans-88.5125.6169.1-61.9-82.8000110.2M94 L102 A108 M110 R124M94-F104 HydrophobicContact CG-CD1 4.34Å; M94-F104 HydrophobicContact CG-CE1 4.21Å; M94-F104 HydrophobicContact SD-CD1 4.27Å; M94-F104 HydrophobicContact SD-CE1 3.59Å; M94-F104 VanDerWaalsContact SD-CE1 3.59Å; M94-F104 HydrophobicContact SD-CZ 4.08Å; L102-F104 HydrophobicContact CD2-CE1 4.44Å; L102-F104 HydrophobicContact CD2-CE2 3.86Å; L102-F104 HydrophobicContact CD2-CZ 3.54Å; L102-F104 HydrophobicContact CG-CE2 3.98Å; L102-F104 HydrophobicContact CG-CZ 3.97Å; F104-A108 HydrophobicContact CD1-CB 3.8Å; F104-A108 HydrophobicContact CE1-CB 4.3Å; F104-A108 HydrophobicContact CG-CB 4.2Å; F104-M110 HydrophobicContact CD1-CE 4.49Å; F104-M110 HydrophobicContact CE1-CE 3.74Å; F104-M110 HydrophobicContact CE2-CE 3.78Å; F104-M110 HydrophobicContact CZ-CE 3.34Å; F104-R124 PolarHBondContact O-NH2 2.76Å; F104-R124 VanDerWaalsContact O-NH2 3.12Å
105K84.2Confident84.1Confident87 Ų8798.5 Ų98.538%0.37852%0.515SS..SBendtrans-86.3-30.9179.1-75.2177.9178169.10112.3D92 S93 E95 R124D92-K105 VanDerWaalsContact O-CB 3.27Å; D92-K105 WeakPolarHBondContact O-CB 3.41Å; D92-K105 WeakPolarHBondContact O-CD 3.5Å; S93-K105 PolarHBondContact O-N 3.35Å; E95-K105 WeakPolarHBondContact OE2-CE 3.4Å; E95-K105 IonicContact OE2-NZ 3.66Å; E95-K105 PolarHBondContact OE2-NZ 3.28Å; E95-K105 VanDerWaalsContact OE2-NZ 3.17Å; K105-R124 PolarHBondContact O-NH2 2.8Å
106Q82.8Confident83.9Confident89 Ų89101.8 Ų101.842%0.41653%0.534SS..SBendtrans-119.1172.2-177.4-61.3179.55.100110.8D92 A108D92-Q106 PolarHBondContact OD2-NE2 2.9Å; D92-Q106 VanDerWaalsContact OD2-NE2 3.12Å; Q106-A108 PolarHBondContact O-N 3.17Å
107K83.7Confident83.3Confident218 Ų218101.9 Ų101.995%0.94854%0.536SS*.  trans-60.1129.2171.6-65.6-178.7-179.6-179.80108.6
108A83.1Confident82.9Confident45 Ų45105.2 Ų105.237%0.37255%0.549SS..  trans-122.8132.3-179.100000109.2F104 Q106 M110F104-A108 HydrophobicContact CD1-CB 3.8Å; F104-A108 HydrophobicContact CE1-CB 4.3Å; F104-A108 HydrophobicContact CG-CB 4.2Å; Q106-A108 PolarHBondContact O-N 3.17Å; A108-M110 HydrophobicContact CB-CE 4.18Å; A108-M110 PolarHBondContact O-N 2.85Å
109D85.5Confident82.9Confident174 Ų17498.5 Ų98.593%0.9353%0.525SS*.  trans-78.8109.9172.8-68.9-35.4000108.6
110M82Confident83.1Confident72 Ų72100.2 Ų100.236%0.35553%0.531SS..  trans-102.1120.1178.3-67.8-91.1125.800107.8F104 A108 V113 V138F104-M110 HydrophobicContact CD1-CE 4.49Å; F104-M110 HydrophobicContact CE1-CE 3.74Å; F104-M110 HydrophobicContact CE2-CE 3.78Å; F104-M110 HydrophobicContact CZ-CE 3.34Å; A108-M110 HydrophobicContact CB-CE 4.18Å; A108-M110 PolarHBondContact O-N 2.85Å; M110-V113 HydrophobicContact CB-CG2 4.12Å; M110-V113 HydrophobicContact CG-CG2 4.44Å; M110-V113 HydrophobicContact SD-CG2 3.7Å; M110-V138 HydrophobicContact CB-CG1 3.9Å
111G87.3Confident83.6Confident47 Ų47100.6 Ų100.649%0.48552%0.519SS..  trans-83.3-101.4171.300000110.3V139G111-V139 PolarHBondContact O-N 3.45Å
112I89.7Confident83.8Confident104 Ų10498.7 Ų98.753%0.53352%0.523SS..EExtended strand (participates in β ladder)trans-100.9120.3173.6-51.4176000108.5H114 V139 Q141I112-H114 WeakPolarHBondContact CG2-NE2 3.42Å; I112-V139 CarbonylContact C-O 3.53Å; I112-V139 WeakPolarHBondContact CA-O 2.91Å; I112-V139 HydrophobicContact CG1-CB 4.34Å; I112-V139 HydrophobicContact CG2-CB 4.42Å; I112-V139 HydrophobicContact CG2-CG1 4.41Å; I112-Q141 HydrophobicContact CG2-CB 4.44Å
113V89.4Confident83.9Confident33 Ų3397.1 Ų97.120%0.252%0.524CS..EExtended strand (participates in β ladder)trans-98.9131.2172.7-176.40000107.6M110 P115 V139 F140 Q141M110-V113 HydrophobicContact CB-CG2 4.12Å; M110-V113 HydrophobicContact CG-CG2 4.44Å; M110-V113 HydrophobicContact SD-CG2 3.7Å; V113-P115 HydrophobicContact CG1-CG 4.37Å; V113-P115 VanDerWaalsContact O-CD 3.29Å; V113-P115 WeakPolarHBondContact O-CD 3.36Å; V113-V139 PolarHBondContact N-O 3.33Å; V113-F140 HydrophobicContact CB-CD1 3.61Å; V113-F140 HydrophobicContact CB-CE1 3.85Å; V113-F140 HydrophobicContact CB-CG 4.42Å; V113-F140 HydrophobicContact CG1-CD1 3.77Å; V113-F140 HydrophobicContact CG1-CE1 3.94Å; V113-F140 HydrophobicContact CG2-CD1 4.15Å; V113-F140 HydrophobicContact CG2-CE1 3.88Å; V113-F140 WeakPolarHBondContact O-CA 3.36Å; V113-Q141 PolarHBondContact O-N 3.36Å
114H88.9Confident83.8Confident125 Ų12597.1 Ų97.158%0.57952%0.524SS*.  trans-111.688.1174.6-67.9-67.5000109.6I112 L116 Q141I112-H114 WeakPolarHBondContact CG2-NE2 3.42Å; H114-L116 PolarHBondContact O-N 2.83Å; H114-Q141 PolarHBondContact ND1-O 3.31Å; H114-Q141 VanDerWaalsContact ND1-O 3.07Å
115P84.2Confident83.6Confident29 Ų29102.1 Ų102.119%0.18855%0.546CS..PPolyproline II helixtrans-63.8134176.6-14.528.7000109.9V113 F140 Q142V113-P115 HydrophobicContact CG1-CG 4.37Å; V113-P115 VanDerWaalsContact O-CD 3.29Å; V113-P115 WeakPolarHBondContact O-CD 3.36Å; P115-F140 HydrophobicContact CG-CB 4.42Å; P115-F140 HydrophobicContact CG-CD1 4.33Å; P115-Q142 PolarHBondContact O-NE2 3.19Å; P115-Q142 VanDerWaalsContact O-NE2 3.15Å
116L80.6Confident83.6Confident140 Ų140105.1 Ų105.173%0.73357%0.566SS**PPolyproline II helixtrans-71164.6170.3-65.9171.9000110H114 K118 S119 Q142H114-L116 PolarHBondContact O-N 2.83Å; L116-K118 PolarHBondContact O-N 2.91Å; L116-S119 VanDerWaalsContact C-OG 3.3Å; L116-S119 WeakPolarHBondContact CA-OG 3.35Å; L116-S119 WeakPolarHBondContact CB-OG 3.42Å; L116-S119 PolarHBondContact N-OG 2.78Å; L116-S119 WeakPolarHBondContact O-CB 3.22Å; L116-S119 PolarHBondContact O-N 2.86Å; L116-S119 PolarHBondContact O-OG 3.02Å; L116-Q142 VanDerWaalsContact C-NE2 3.31Å; L116-Q142 PolarHBondContact O-NE2 3.02Å
117H69.6Low83.7Confident152 Ų152106.2 Ų106.270%0.70457%0.571SS**THydrogen-bonded Turntrans-53.9129.4-179.9-17268000111.3S119 Q142H117-S119 VanDerWaalsContact C-N 3.27Å; H117-S119 PolarHBondContact O-N 2.85Å; H117-Q142 VanDerWaalsContact CA-NE2 3.34Å; H117-Q142 VanDerWaalsContact N-NE2 3.19Å
118K71.8Confident83.8Confident182 Ų182103 Ų10379%0.79157%0.565SS**THydrogen-bonded Turntrans6321.7-174.3-57.8177.4179.1-178.10115.8L116L116-K118 PolarHBondContact O-N 2.91Å
119S78.7Confident84.1Confident61 Ų61104.8 Ų104.843%0.42757%0.567SS.*  trans-74.8140.4172.5-59.90000111.2L116 H117L116-S119 VanDerWaalsContact C-OG 3.3Å; L116-S119 WeakPolarHBondContact CA-OG 3.35Å; L116-S119 WeakPolarHBondContact CB-OG 3.42Å; L116-S119 PolarHBondContact N-OG 2.78Å; L116-S119 WeakPolarHBondContact O-CB 3.22Å; L116-S119 PolarHBondContact O-N 2.86Å; L116-S119 PolarHBondContact O-OG 3.02Å; H117-S119 VanDerWaalsContact C-N 3.27Å; H117-S119 PolarHBondContact O-N 2.85Å
120T84.1Confident84.3Confident126 Ų126102 Ų10277%0.77356%0.556SS**  trans-112.1133.8175.955.60000109.8
121V87.9Confident84.7Confident80 Ų80101 Ų10149%0.48555%0.552SS.*  trans-112.8126.1169.7-173.60000106.9L129 F140V121-L129 HydrophobicContact CG1-CD2 3.86Å; V121-F140 HydrophobicContact CB-CE1 4.35Å; V121-F140 HydrophobicContact CG1-CE1 4Å; V121-F140 HydrophobicContact CG1-CZ 4.35Å; V121-F140 HydrophobicContact CG2-CD1 4.25Å; V121-F140 HydrophobicContact CG2-CE1 3.97Å
122G88.4Confident84.8Confident56 Ų56102.7 Ų102.758%0.57755%0.552SS**  trans-152.7164.6-172.200000113.2
123G87.3Confident84.8Confident40 Ų4097.9 Ų97.941%0.41253%0.528SS..  trans-76.6179.4173.700000111.5Q127G123-Q127 WeakPolarHBondContact CA-O 3.49Å
124R84.1Confident84.5Confident102 Ų102101.2 Ų101.239%0.38555%0.545SS..  trans-75.7168.2171.4-63.6-176.3-175.3162.77.6109.9F104 K105 D126 Q127F104-R124 PolarHBondContact O-NH2 2.76Å; F104-R124 VanDerWaalsContact O-NH2 3.12Å; K105-R124 PolarHBondContact O-NH2 2.8Å; R124-D126 PolarHBondContact O-N 3.07Å; R124-D126 VanDerWaalsContact O-N 3.17Å; R124-Q127 HydrophobicContact CB-CB 4.06Å; R124-Q127 HydrophobicContact CB-CG 4.29Å; R124-Q127 PolarHBondContact O-N 3.4Å; R124-Q127 VanDerWaalsContact O-O 3.06Å
125K83.3Confident84.3Confident183 Ų183102.7 Ų102.780%0.79656%0.558SS**THydrogen-bonded Turntrans-51.4125.7171.3-169.5-174.3173.3-179.40109.4Q127K125-Q127 PolarHBondContact O-N 2.92Å
126D82.6Confident84.5Confident150 Ų150107.4 Ų107.480%0.80258%0.581SS**THydrogen-bonded Turntrans58.623.9-179.5-48.2-44.9000114.3R124R124-D126 PolarHBondContact O-N 3.07Å; R124-D126 VanDerWaalsContact O-N 3.17Å
127Q85.8Confident85Confident111 Ų111103.4 Ų103.452%0.51956%0.563SS.*  trans-131130.8176.3-63.4-174.8-9.700110.9G123 R124 K125G123-Q127 WeakPolarHBondContact CA-O 3.49Å; R124-Q127 HydrophobicContact CB-CB 4.06Å; R124-Q127 HydrophobicContact CB-CG 4.29Å; R124-Q127 PolarHBondContact O-N 3.4Å; R124-Q127 VanDerWaalsContact O-O 3.06Å; K125-Q127 PolarHBondContact O-N 2.92Å
128D85Confident86.1Confident152 Ų15296.8 Ų96.881%0.81353%0.534SS*.  trans-66.6142.1176.8-62.5-26.4000111.3V130D128-V130 PolarHBondContact O-N 3.12Å
129L89.6Confident87.1Confident81 Ų8188.6 Ų88.642%0.42450%0.499SS..  trans-76.4110.5168.6-178.862.2000108.9V121 I131V121-L129 HydrophobicContact CG1-CD2 3.86Å; L129-I131 HydrophobicContact CD2-CD1 3.86Å; L129-I131 HydrophobicContact CD2-CG1 4.15Å; L129-I131 HydrophobicContact CG-CD1 4.18Å; L129-I131 HydrophobicContact CG-CG1 3.91Å
130V89.3Confident87.7Confident115 Ų11587 Ų8770%0.69748%0.484SS*.  trans-95.9114.3178.1-175.80000109.6D128 V132D128-V130 PolarHBondContact O-N 3.12Å; V130-V132 HydrophobicContact CG1-CG2 3.79Å
131I90.2Very high88.1Confident53 Ų5384.3 Ų84.327%0.27246%0.463SS..  trans-114.2125.5176.6-49.7180000107.9L129 V138 F140 V149L129-I131 HydrophobicContact CD2-CD1 3.86Å; L129-I131 HydrophobicContact CD2-CG1 4.15Å; L129-I131 HydrophobicContact CG-CD1 4.18Å; L129-I131 HydrophobicContact CG-CG1 3.91Å; I131-V138 HydrophobicContact CG2-CB 3.85Å; I131-V138 HydrophobicContact CG2-CG1 3.93Å; I131-V138 HydrophobicContact CG2-CG2 4.11Å; I131-F140 HydrophobicContact CD1-CE2 3.72Å; I131-F140 HydrophobicContact CD1-CZ 3.93Å; I131-F140 HydrophobicContact CG2-CE2 4.44Å; I131-V149 HydrophobicContact CB-CG2 4.48Å; I131-V149 HydrophobicContact CG2-CB 3.98Å; I131-V149 HydrophobicContact CG2-CG1 4.17Å; I131-V149 HydrophobicContact CG2-CG2 3.95Å
132V90Very high88Confident81 Ų8184.7 Ų84.749%0.49146%0.46SS..  trans-133.7116.9-175.3-172.20000110.2V130 N134V130-V132 HydrophobicContact CG1-CG2 3.79Å; V132-N134 VanDerWaalsContact CG1-CG 3.5Å; V132-N134 WeakPolarHBondContact CG1-OD1 3.17Å
133G89.2Confident87.8Confident3 Ų384.9 Ų84.93%0.03146%0.461CS..  trans-99.968.4175.300000112.7N136 V149 E150 K151G133-N136 CarbonylContact C-O 3.58Å; G133-N136 VanDerWaalsContact CA-O 3.24Å; G133-N136 WeakPolarHBondContact CA-O 3.27Å; G133-V149 WeakPolarHBondContact CA-O 3.36Å; G133-E150 CarbonylContact O-C 3.46Å; G133-K151 VanDerWaalsContact O-CA 3.27Å; G133-K151 WeakPolarHBondContact O-CA 3.47Å; G133-K151 WeakPolarHBondContact O-CB 3.36Å; G133-K151 PolarHBondContact O-N 2.92Å
134N83.7Confident87.7Confident103 Ų10389.1 Ų89.155%0.55148%0.475SS*.SBendtrans-66.1-59.2-173.2-77.6-28.1000113.8V132V132-N134 VanDerWaalsContact CG1-CG 3.5Å; V132-N134 WeakPolarHBondContact CG1-OD1 3.17Å
135N84.5Confident87.8Confident157 Ų15786.5 Ų86.584%0.8447%0.47SS*.SBendtrans-103.4-35.5-177-67.4-15.2000111.7
136N88.3Confident88.2Confident128 Ų12881.7 Ų81.768%0.68445%0.449SS*.SBendtrans-127.6146.4178.3-68.4-42.2000109G133G133-N136 CarbonylContact C-O 3.58Å; G133-N136 VanDerWaalsContact CA-O 3.24Å; G133-N136 WeakPolarHBondContact CA-O 3.27Å
137P91.1Very high88.6Confident55 Ų5577.4 Ų77.436%0.35743%0.425SS..  trans-67141.8174.926.8-32.9000111.2V139 V149 E150P137-V139 HydrophobicContact CB-CG2 4.05Å; P137-V139 HydrophobicContact CG-CG2 4.29Å; P137-V149 WeakPolarHBondContact CA-O 3.45Å; P137-E150 HydrophobicContact CB-CG 3.75Å
138V93.4Very high89Confident14 Ų1472.2 Ų72.29%0.08540%0.401CS..EExtended strand (participates in β ladder)trans-90.7120163.2-176.20000107.6M110 I131 F140 S148 V149M110-V138 HydrophobicContact CB-CG1 3.9Å; I131-V138 HydrophobicContact CG2-CB 3.85Å; I131-V138 HydrophobicContact CG2-CG1 3.93Å; I131-V138 HydrophobicContact CG2-CG2 4.11Å; V138-F140 HydrophobicContact CG1-CE2 3.89Å; V138-F140 HydrophobicContact CG1-CZ 4.14Å; V138-S148 WeakPolarHBondContact O-CA 3.44Å; V138-V149 PolarHBondContact N-O 2.73Å; V138-V149 PolarHBondContact O-N 3.27Å
139V93.1Very high89.4Confident9 Ų965.9 Ų65.96%0.05537%0.368CS..EExtended strand (participates in β ladder)trans-118.6121.1-173.2-178.80000110.3G111 I112 V113 P137 Q141 K146 L147G111-V139 PolarHBondContact O-N 3.45Å; I112-V139 CarbonylContact C-O 3.53Å; I112-V139 WeakPolarHBondContact CA-O 2.91Å; I112-V139 HydrophobicContact CG1-CB 4.34Å; I112-V139 HydrophobicContact CG2-CB 4.42Å; I112-V139 HydrophobicContact CG2-CG1 4.41Å; V113-V139 PolarHBondContact N-O 3.33Å; P137-V139 HydrophobicContact CB-CG2 4.05Å; P137-V139 HydrophobicContact CG-CG2 4.29Å; V139-Q141 HydrophobicContact CG1-CB 4.22Å; V139-K146 HydrophobicContact CG1-CD 4.18Å; V139-K146 VanDerWaalsContact CG1-CE 3.42Å; V139-K146 HydrophobicContact CG1-CG 3.79Å; V139-L147 CarbonylContact C-O 3.5Å; V139-L147 WeakPolarHBondContact CA-O 3.37Å
140F91.8Very high89.6Confident28 Ų2865.7 Ų65.712%0.12337%0.365CS..EExtended strand (participates in β ladder)trans-97.3118.6164.9-57.2-91.4000108.3V113 P115 V121 I131 V138 K146 L147V113-F140 HydrophobicContact CB-CD1 3.61Å; V113-F140 HydrophobicContact CB-CE1 3.85Å; V113-F140 HydrophobicContact CB-CG 4.42Å; V113-F140 HydrophobicContact CG1-CD1 3.77Å; V113-F140 HydrophobicContact CG1-CE1 3.94Å; V113-F140 HydrophobicContact CG2-CD1 4.15Å; V113-F140 HydrophobicContact CG2-CE1 3.88Å; V113-F140 WeakPolarHBondContact O-CA 3.36Å; P115-F140 HydrophobicContact CG-CB 4.42Å; P115-F140 HydrophobicContact CG-CD1 4.33Å; V121-F140 HydrophobicContact CB-CE1 4.35Å; V121-F140 HydrophobicContact CG1-CE1 4Å; V121-F140 HydrophobicContact CG1-CZ 4.35Å; V121-F140 HydrophobicContact CG2-CD1 4.25Å; V121-F140 HydrophobicContact CG2-CE1 3.97Å; I131-F140 HydrophobicContact CD1-CE2 3.72Å; I131-F140 HydrophobicContact CD1-CZ 3.93Å; I131-F140 HydrophobicContact CG2-CE2 4.44Å; V138-F140 HydrophobicContact CG1-CE2 3.89Å; V138-F140 HydrophobicContact CG1-CZ 4.14Å; F140-K146 CarbonylContact O-C 3.53Å; F140-K146 WeakPolarHBondContact O-CA 3.42Å; F140-L147 HydrophobicContact CB-CB 4.25Å; F140-L147 HydrophobicContact CD2-CB 4.47Å; F140-L147 HydrophobicContact CD2-CD2 3.87Å; F140-L147 HydrophobicContact CD2-CG 4.13Å; F140-L147 HydrophobicContact CE2-CD2 4.5Å; F140-L147 PolarHBondContact N-O 3.25Å; F140-L147 PolarHBondContact O-N 3.31Å
141Q90.5Very high89.6Confident69 Ų6966.9 Ų66.932%0.32236%0.361SS..EExtended strand (participates in β ladder)trans-131.4125.8-176.6-175177.8-1.500111.9I112 V113 H114 V139 G143 T145I112-Q141 HydrophobicContact CG2-CB 4.44Å; V113-Q141 PolarHBondContact O-N 3.36Å; H114-Q141 PolarHBondContact ND1-O 3.31Å; H114-Q141 VanDerWaalsContact ND1-O 3.07Å; V139-Q141 HydrophobicContact CG1-CB 4.22Å; Q141-G143 PolarHBondContact NE2-O 3.07Å; Q141-T145 WeakPolarHBondContact CA-O 3.27Å
142Q86.9Confident89.5Confident89 Ų8971.6 Ų71.642%0.41639%0.387SS..EExtended strand (participates in β ladder)trans-133.7106.1171.8-176.8170.745.300109.1P115 L116 H117 N144 T145P115-Q142 PolarHBondContact O-NE2 3.19Å; P115-Q142 VanDerWaalsContact O-NE2 3.15Å; L116-Q142 VanDerWaalsContact C-NE2 3.31Å; L116-Q142 PolarHBondContact O-NE2 3.02Å; H117-Q142 VanDerWaalsContact CA-NE2 3.34Å; H117-Q142 VanDerWaalsContact N-NE2 3.19Å; Q142-N144 PolarHBondContact O-N 2.8Å; Q142-T145 PolarHBondContact N-O 3.16Å; Q142-T145 PolarHBondContact O-N 2.96Å
143G85Confident89.4Confident59 Ų5973.4 Ų73.461%0.60839%0.388SS*.THydrogen-bonded Turntrans58.1-121.4-173.400000111.5Q141Q141-G143 PolarHBondContact NE2-O 3.07Å
144N84.4Confident89.5Confident130 Ų13077.8 Ų77.870%0.69541%0.414SS*.THydrogen-bonded Turntrans-86-15.2177.4-68-10.7000113.5Q142Q142-N144 PolarHBondContact O-N 2.8Å
145T87.1Confident89.8Confident46 Ų4674.2 Ų74.228%0.28240%0.398SS..EExtended strand (participates in β ladder)trans-81.1125.9177.6-71.70000110Q141 Q142 V157 S158 D159Q141-T145 WeakPolarHBondContact CA-O 3.27Å; Q142-T145 PolarHBondContact N-O 3.16Å; Q142-T145 PolarHBondContact O-N 2.96Å; T145-V157 CarbonylContact C-O 3.54Å; T145-V157 WeakPolarHBondContact CA-O 3.48Å; T145-S158 PolarHBondContact OG1-OG 2.93Å; T145-S158 VanDerWaalsContact OG1-OG 3.12Å; T145-D159 PolarHBondContact OG1-OD1 3.28Å; T145-D159 VanDerWaalsContact OG1-OD1 3.12Å
146K90.9Very high90Very high83 Ų8369.5 Ų69.536%0.36137%0.374SS..EExtended strand (participates in β ladder)trans-138124.2-175-173.6-175.7-179.1-177.60111.1V139 F140 V156 V157V139-K146 HydrophobicContact CG1-CD 4.18Å; V139-K146 VanDerWaalsContact CG1-CE 3.42Å; V139-K146 HydrophobicContact CG1-CG 3.79Å; F140-K146 CarbonylContact O-C 3.53Å; F140-K146 WeakPolarHBondContact O-CA 3.42Å; K146-V156 CarbonylContact O-C 3.58Å; K146-V156 WeakPolarHBondContact O-CA 3.29Å; K146-V157 HydrophobicContact CB-CB 4.31Å; K146-V157 PolarHBondContact N-O 3.43Å; K146-V157 PolarHBondContact O-N 3.37Å
147L91.8Very high89.9Confident59 Ų5967.3 Ų67.331%0.30937%0.365SS..EExtended strand (participates in β ladder)trans-108.8118.7165.7166.666.7000108.2V139 F140 V149 T154 V156V139-L147 CarbonylContact C-O 3.5Å; V139-L147 WeakPolarHBondContact CA-O 3.37Å; F140-L147 HydrophobicContact CB-CB 4.25Å; F140-L147 HydrophobicContact CD2-CB 4.47Å; F140-L147 HydrophobicContact CD2-CD2 3.87Å; F140-L147 HydrophobicContact CD2-CG 4.13Å; F140-L147 HydrophobicContact CE2-CD2 4.5Å; F140-L147 PolarHBondContact N-O 3.25Å; F140-L147 PolarHBondContact O-N 3.31Å; L147-V149 HydrophobicContact CD1-CG2 4.49Å; L147-T154 HydrophobicContact CD1-CG2 3.92Å; L147-V156 HydrophobicContact CD1-CG2 3.71Å
148S93.2Very high89.6Confident2 Ų266.6 Ų66.61%0.01436%0.362CS..EExtended strand (participates in β ladder)trans-121.8122.5179.4-175.20000110.1V138 T154 S155V138-S148 WeakPolarHBondContact O-CA 3.44Å; S148-T154 WeakPolarHBondContact O-CA 3.39Å; S148-S155 WeakPolarHBondContact CB-OG 3.38Å; S148-S155 PolarHBondContact N-O 3.31Å; S148-S155 PolarHBondContact O-N 2.88Å
149V94.1Very high88.7Confident19 Ų1971.5 Ų71.512%0.11539%0.387CS..EExtended strand (participates in β ladder)trans-107.7108.9176.4-175.20000108.3I131 G133 P137 V138 L147 T154I131-V149 HydrophobicContact CB-CG2 4.48Å; I131-V149 HydrophobicContact CG2-CB 3.98Å; I131-V149 HydrophobicContact CG2-CG1 4.17Å; I131-V149 HydrophobicContact CG2-CG2 3.95Å; G133-V149 WeakPolarHBondContact CA-O 3.36Å; P137-V149 WeakPolarHBondContact CA-O 3.45Å; V138-V149 PolarHBondContact N-O 2.73Å; V138-V149 PolarHBondContact O-N 3.27Å; L147-V149 HydrophobicContact CD1-CG2 4.49Å; V149-T154 HydrophobicContact CG2-CG2 4.26Å
150E92.9Very high87.8Confident77 Ų7776 Ų7636%0.3642%0.415SS..  trans-106.1171.1173.2-66.3159.8-141.600109.6G133 P137 D152 K153G133-E150 CarbonylContact O-C 3.46Å; P137-E150 HydrophobicContact CB-CG 3.75Å; E150-D152 VanDerWaalsContact C-N 3.3Å; E150-D152 PolarHBondContact O-N 3.39Å; E150-K153 WeakPolarHBondContact CA-O 3.38Å; E150-K153 HydrophobicContact CB-CB 4.38Å; E150-K153 WeakPolarHBondContact CB-O 3.44Å; E150-K153 PolarHBondContact N-O 3.27Å
151K89.5Confident87.1Confident141 Ų14175.9 Ų75.961%0.61342%0.421SS*.SBendtrans-55.4-44.4-175.6-173.8-177.7176-177.40113.1G133G133-K151 VanDerWaalsContact O-CA 3.27Å; G133-K151 WeakPolarHBondContact O-CA 3.47Å; G133-K151 WeakPolarHBondContact O-CB 3.36Å; G133-K151 PolarHBondContact O-N 2.92Å
152D88.8Confident86.7Confident151 Ų15174.4 Ų74.481%0.80742%0.415SS*.SBendtrans-116.64.4-172.6-55.2-49.6000112.4E150E150-D152 VanDerWaalsContact C-N 3.3Å; E150-D152 PolarHBondContact O-N 3.39Å
153K88Confident86.6Confident119 Ų11973.8 Ų73.852%0.51742%0.42SS..  trans-151.8133.1-171-175.7-177175.6-165.20111.9E150E150-K153 WeakPolarHBondContact CA-O 3.38Å; E150-K153 HydrophobicContact CB-CB 4.38Å; E150-K153 WeakPolarHBondContact CB-O 3.44Å; E150-K153 PolarHBondContact N-O 3.27Å
154T90.1Very high86.6Confident95 Ų9576.3 Ų76.358%0.58342%0.415SS*.EExtended strand (participates in β ladder)trans-108.2127162.1-52.60000108.3L147 S148 V149L147-T154 HydrophobicContact CD1-CG2 3.92Å; S148-T154 WeakPolarHBondContact O-CA 3.39Å; V149-T154 HydrophobicContact CG2-CG2 4.26Å
155S89.4Confident86.6Confident29 Ų2972.7 Ų72.720%0.20340%0.398CS..EExtended strand (participates in β ladder)trans-120.5136.5174.955.30000110.6S148S148-S155 WeakPolarHBondContact CB-OG 3.38Å; S148-S155 PolarHBondContact N-O 3.31Å; S148-S155 PolarHBondContact O-N 2.88Å
156V89.6Confident86.5Confident57 Ų5771.7 Ų71.735%0.34539%0.39SS..EExtended strand (participates in β ladder)trans-126.6128.3177.1-165.30000107.3K146 L147 I162K146-V156 CarbonylContact O-C 3.58Å; K146-V156 WeakPolarHBondContact O-CA 3.29Å; L147-V156 HydrophobicContact CD1-CG2 3.71Å; V156-I162 HydrophobicContact CB-CD1 3.56Å; V156-I162 HydrophobicContact CB-CG1 4.41Å; V156-I162 HydrophobicContact CG1-CD1 3.35Å; V156-I162 HydrophobicContact CG1-CG1 3.67Å; V156-I162 HydrophobicContact CG1-CG2 4.41Å
157V87.3Confident86Confident83 Ų8372.6 Ų72.650%0.50341%0.405SS..EExtended strand (participates in β ladder)trans-123.6125.4175.4-177.90000105.8T145 K146T145-V157 CarbonylContact C-O 3.54Å; T145-V157 WeakPolarHBondContact CA-O 3.48Å; K146-V157 HydrophobicContact CB-CB 4.31Å; K146-V157 PolarHBondContact N-O 3.43Å; K146-V157 PolarHBondContact O-N 3.37Å
158S83.6Confident85.6Confident40 Ų4080.1 Ų80.128%0.2843%0.429SS..  trans-145.8148.3174.3-175.20000109.3T145 V160 G161T145-S158 PolarHBondContact OG1-OG 2.93Å; T145-S158 VanDerWaalsContact OG1-OG 3.12Å; S158-V160 PolarHBondContact OG-N 2.88Å; S158-G161 PolarHBondContact OG-N 2.83Å; S158-G161 PolarHBondContact OG-O 2.92Å
159D75.3Confident85.4Confident116 Ų11683.9 Ų83.962%0.6245%0.452SS*.SBendtrans-84.3-34.2174.451.4-16.2000112.8T145T145-D159 PolarHBondContact OG1-OD1 3.28Å; T145-D159 VanDerWaalsContact OG1-OD1 3.12Å
160V73.6Confident85Confident105 Ų10589.7 Ų89.764%0.63648%0.478SS*.SBendtrans-90.9-38.1-178.5-175.80000111.7S158S158-V160 PolarHBondContact OG-N 2.88Å
161G77.4Confident84.5Confident25 Ų2589.1 Ų89.126%0.25848%0.48SS..  trans137177.9178.900000113.4S158 T176S158-G161 PolarHBondContact OG-N 2.83Å; S158-G161 PolarHBondContact OG-O 2.92Å; G161-T176 WeakPolarHBondContact CA-OG1 3.12Å
162I82.3Confident84.1Confident38 Ų3886.2 Ų86.220%0.19547%0.474CS..  trans-132.7127.2-174-55.9158.9000108.1V156 F164 S175 T176V156-I162 HydrophobicContact CB-CD1 3.56Å; V156-I162 HydrophobicContact CB-CG1 4.41Å; V156-I162 HydrophobicContact CG1-CD1 3.35Å; V156-I162 HydrophobicContact CG1-CG1 3.67Å; V156-I162 HydrophobicContact CG1-CG2 4.41Å; I162-F164 HydrophobicContact CG2-CD2 4.26Å; I162-F164 HydrophobicContact CG2-CE2 3.58Å; I162-F164 HydrophobicContact CG2-CZ 3.85Å; I162-S175 CarbonylContact O-C 3.4Å; I162-S175 VanDerWaalsContact O-CA 3.25Å; I162-S175 WeakPolarHBondContact O-CA 3.33Å; I162-T176 HydrophobicContact CB-CG2 4.34Å; I162-T176 PolarHBondContact N-OG1 3.41Å; I162-T176 PolarHBondContact O-N 2.84Å
163S83.6Confident83.6Confident75 Ų7585.6 Ų85.652%0.52447%0.465SS..EExtended strand (participates in β ladder)trans-121.5140.3173.658.30000111.6F174S163-F174 CarbonylContact C-O 3.56Å; S163-F174 VanDerWaalsContact CA-O 3.3Å; S163-F174 WeakPolarHBondContact CA-O 3.32Å
164F85.4Confident83.1Confident112 Ų11283.2 Ų83.249%0.49146%0.455SS..EExtended strand (participates in β ladder)trans-115.5110.9172.4-59.5-94.6000107.7I162 T172 F173 F174I162-F164 HydrophobicContact CG2-CD2 4.26Å; I162-F164 HydrophobicContact CG2-CE2 3.58Å; I162-F164 HydrophobicContact CG2-CZ 3.85Å; F164-T172 CarbonylContact O-C 3.46Å; F164-T172 WeakPolarHBondContact O-CA 3.4Å; F164-F173 PolarHBondContact O-N 3.18Å; F164-F174 HydrophobicContact CB-CB 4.31Å; F164-F174 HydrophobicContact CD2-CB 3.82Å; F164-F174 AromaticContact CD2-CD1 3.34Å; F164-F174 HydrophobicContact CD2-CD1 3.34Å; F164-F174 HydrophobicContact CD2-CE1 4.14Å; F164-F174 AromaticContact CD2-CG 3.9Å; F164-F174 HydrophobicContact CD2-CG 3.9Å; F164-F174 AromaticContact CE2-CD1 3.49Å; F164-F174 HydrophobicContact CE2-CD1 3.49Å; F164-F174 VanDerWaalsContact CE2-CD1 3.49Å; F164-F174 AromaticContact CE2-CE1 3.8Å; F164-F174 HydrophobicContact CE2-CE1 3.8Å; F164-F174 HydrophobicContact CE2-CG 4.3Å; F164-F174 HydrophobicContact CG-CB 4.5Å; F164-F174 PolarHBondContact N-O 2.9Å; F164-F174 PolarHBondContact O-N 2.86Å
165T85.4Confident82.4Confident54 Ų5479.7 Ų79.733%0.33143%0.434SS..EExtended strand (participates in β ladder)trans-120.6135.7-174.6-53.40000109.6P167 T172T165-P167 WeakPolarHBondContact O-CD 3.43Å; T165-T172 PolarHBondContact OG1-OG1 3.13Å
166D84.6Confident81.7Confident25 Ų2581.3 Ų81.313%0.13444%0.443CS..  trans-67.2121.4169.5-172.7-31.2000108.9R168 T169 Q170 T171 F173D166-R168 PolarHBondContact O-N 3.27Å; D166-R168 WeakPolarHBondContact OD1-CB 3.24Å; D166-R168 PolarHBondContact OD1-N 3.26Å; D166-R168 IonicContact OD1-NE 3.87Å; D166-T169 WeakPolarHBondContact CB-OG1 3.46Å; D166-Q170 WeakPolarHBondContact O-CA 3.42Å; D166-Q170 PolarHBondContact O-N 3.38Å; D166-T171 PolarHBondContact N-O 3.42Å; D166-F173 HydrophobicContact CB-CD2 4.45Å; D166-F173 HydrophobicContact CB-CE2 3.62Å; D166-F173 HydrophobicContact CB-CZ 4.05Å
167P79.3Confident80.6Confident103 Ų10382.8 Ų82.867%0.66945%0.449SS*.THydrogen-bonded Turntrans-65-24.6-179.126-34.5000113.6T165 Q170T165-P167 WeakPolarHBondContact O-CD 3.43Å; P167-Q170 PolarHBondContact O-NE2 2.86Å
168R84.3Confident79.4Confident216 Ų21682.9 Ų82.982%0.81544%0.442SS*.THydrogen-bonded Turntrans-85.2-46.4-176.6-63.6179.6-64.1171.20.5112.4D166D166-R168 PolarHBondContact O-N 3.27Å; D166-R168 WeakPolarHBondContact OD1-CB 3.24Å; D166-R168 PolarHBondContact OD1-N 3.26Å; D166-R168 IonicContact OD1-NE 3.87Å
169T88.3Confident78.1Confident81 Ų8189.8 Ų89.850%0.49747%0.47SS..THydrogen-bonded Turntrans-92.3-11.3-177.8600000112.4D166 T171D166-T169 WeakPolarHBondContact CB-OG1 3.46Å; T169-T171 PolarHBondContact O-N 3.44Å; T169-T171 VanDerWaalsContact O-N 3.14Å; T169-T171 PolarHBondContact OG1-N 2.96Å; T169-T171 PolarHBondContact OG1-OG1 3.49Å
170Q85.2Confident77.4Confident141 Ų14190 Ų9066%0.65947%0.472SS*.  trans56.820.7-171.6-63.3-68.4-39.400112.9D166 P167D166-Q170 WeakPolarHBondContact O-CA 3.42Å; D166-Q170 PolarHBondContact O-N 3.38Å; P167-Q170 PolarHBondContact O-NE2 2.86Å
171T84.2Confident76.7Confident66 Ų6694 Ų9441%0.40548%0.483SS..  trans-88.3122.7178.857.60000110.3D166 T169 F173D166-T171 PolarHBondContact N-O 3.42Å; T169-T171 PolarHBondContact O-N 3.44Å; T169-T171 VanDerWaalsContact O-N 3.14Å; T169-T171 PolarHBondContact OG1-N 2.96Å; T169-T171 PolarHBondContact OG1-OG1 3.49Å; T171-F173 PolarHBondContact O-N 2.94Å
172T80.4Confident75.9Confident80 Ų8097.2 Ų97.249%0.49149%0.491SS..EExtended strand (participates in β ladder)trans-75.5117.9173.9-50.70000110.1F164 T165 F174F164-T172 CarbonylContact O-C 3.46Å; F164-T172 WeakPolarHBondContact O-CA 3.4Å; T165-T172 PolarHBondContact OG1-OG1 3.13Å; T172-F174 VanDerWaalsContact CG2-O 3.29Å; T172-F174 WeakPolarHBondContact CG2-O 3.35Å
173F78.8Confident75.3Confident138 Ų138101 Ų10161%0.60551%0.506SS*.EExtended strand (participates in β ladder)trans-83.1-32.6176-68-58.9000112.6F164 D166 T171F164-F173 PolarHBondContact O-N 3.18Å; D166-F173 HydrophobicContact CB-CD2 4.45Å; D166-F173 HydrophobicContact CB-CE2 3.62Å; D166-F173 HydrophobicContact CB-CZ 4.05Å; T171-F173 PolarHBondContact O-N 2.94Å
174F76.4Confident74.7Confident69 Ų69102.3 Ų102.330%0.30350%0.504SS..EExtended strand (participates in β ladder)trans-148.7135.9-178.2177.4-83.1000108.9S163 F164 T172 T176 F183S163-F174 CarbonylContact C-O 3.56Å; S163-F174 VanDerWaalsContact CA-O 3.3Å; S163-F174 WeakPolarHBondContact CA-O 3.32Å; F164-F174 HydrophobicContact CB-CB 4.31Å; F164-F174 HydrophobicContact CD2-CB 3.82Å; F164-F174 AromaticContact CD2-CD1 3.34Å; F164-F174 HydrophobicContact CD2-CD1 3.34Å; F164-F174 HydrophobicContact CD2-CE1 4.14Å; F164-F174 AromaticContact CD2-CG 3.9Å; F164-F174 HydrophobicContact CD2-CG 3.9Å; F164-F174 AromaticContact CE2-CD1 3.49Å; F164-F174 HydrophobicContact CE2-CD1 3.49Å; F164-F174 VanDerWaalsContact CE2-CD1 3.49Å; F164-F174 AromaticContact CE2-CE1 3.8Å; F164-F174 HydrophobicContact CE2-CE1 3.8Å; F164-F174 HydrophobicContact CE2-CG 4.3Å; F164-F174 HydrophobicContact CG-CB 4.5Å; F164-F174 PolarHBondContact N-O 2.9Å; F164-F174 PolarHBondContact O-N 2.86Å; T172-F174 VanDerWaalsContact CG2-O 3.29Å; T172-F174 WeakPolarHBondContact CG2-O 3.35Å; F174-T176 HydrophobicContact CD1-CG2 4.42Å; F174-T176 HydrophobicContact CE1-CG2 3.44Å; F174-T176 VanDerWaalsContact CE1-CG2 3.44Å; F174-T176 HydrophobicContact CZ-CG2 3.8Å; F174-F183 AromaticContact CE2-CE2 3.7Å; F174-F183 HydrophobicContact CE2-CE2 3.7Å; F174-F183 HydrophobicContact CE2-CZ 4.21Å; F174-F183 HydrophobicContact CZ-CE2 4.06Å
175S75.9Confident74Confident21 Ų21100.2 Ų100.215%0.14750%0.498CS..EExtended strand (participates in β ladder)trans-138.2141169.1-169.40000108.5I162 D177 F178I162-S175 CarbonylContact O-C 3.4Å; I162-S175 VanDerWaalsContact O-CA 3.25Å; I162-S175 WeakPolarHBondContact O-CA 3.33Å; S175-D177 PolarHBondContact OG-N 3.39Å; S175-D177 VanDerWaalsContact OG-N 3.12Å; S175-D177 PolarHBondContact OG-O 2.85Å; S175-F178 WeakPolarHBondContact O-CD2 3.2Å; S175-F178 WeakPolarHBondContact O-CE2 3.28Å
176T74.8Confident73.3Confident63 Ų63100.4 Ų100.439%0.38750%0.5SS..SBendtrans-97.8-15.7162.171.90000111.6G161 I162 F174 F178G161-T176 WeakPolarHBondContact CA-OG1 3.12Å; I162-T176 HydrophobicContact CB-CG2 4.34Å; I162-T176 PolarHBondContact N-OG1 3.41Å; I162-T176 PolarHBondContact O-N 2.84Å; F174-T176 HydrophobicContact CD1-CG2 4.42Å; F174-T176 HydrophobicContact CE1-CG2 3.44Å; F174-T176 VanDerWaalsContact CE1-CG2 3.44Å; F174-T176 HydrophobicContact CZ-CG2 3.8Å; T176-F178 VanDerWaalsContact C-N 3.32Å; T176-F178 PolarHBondContact O-N 3.29Å; T176-F178 VanDerWaalsContact O-N 3.09Å
177D67.4Low72.5Confident88 Ų88109.9 Ų109.947%0.47154%0.539SS..  trans-78.790.5170.9-1726.5000107.2S175S175-D177 PolarHBondContact OG-N 3.39Å; S175-D177 VanDerWaalsContact OG-N 3.12Å; S175-D177 PolarHBondContact OG-O 2.85Å
178F60.5Low72.2Confident84 Ų84108.5 Ų108.537%0.36854%0.544SS..  trans-117.7120.7164.7-82.8-82.2000105.4S175 T176 N180 H181 E182S175-F178 WeakPolarHBondContact O-CD2 3.2Å; S175-F178 WeakPolarHBondContact O-CE2 3.28Å; T176-F178 VanDerWaalsContact C-N 3.32Å; T176-F178 PolarHBondContact O-N 3.29Å; T176-F178 VanDerWaalsContact O-N 3.09Å; F178-N180 PolarHBondContact O-N 2.82Å; F178-H181 PolarHBondContact O-N 3.42Å; F178-E182 WeakPolarHBondContact CD2-O 3.34Å
179E58Low71.8Confident186 Ų186101.4 Ų101.487%0.86953%0.525SS*.THydrogen-bonded Turntrans-48.3-19.9-178.9-69.3-177.4151.500113.6
180N59.3Low71.4Confident121 Ų121107.1 Ų107.165%0.64754%0.543SS*.THydrogen-bonded Turntrans-100.16-179.1-59.8-26.7000115.4F178 E182F178-N180 PolarHBondContact O-N 2.82Å; N180-E182 HydrophobicContact CB-CG 4.06Å; N180-E182 PolarHBondContact O-N 3.41Å; N180-E182 VanDerWaalsContact O-N 3.13Å
181H59.2Low71.3Confident188 Ų188106.1 Ų106.187%0.8755%0.546SS*.  trans57.420.3-173.1-59.269.5000114.1F178F178-H181 PolarHBondContact O-N 3.42Å
182E60.6Low71.4Confident92 Ų92107.7 Ų107.743%0.4355%0.552SS.*  trans-95.2121.4-178.2-67.1-172.3177.700110.7F178 N180 H184F178-E182 WeakPolarHBondContact CD2-O 3.34Å; N180-E182 HydrophobicContact CB-CG 4.06Å; N180-E182 PolarHBondContact O-N 3.41Å; N180-E182 VanDerWaalsContact O-N 3.13Å; E182-H184 PolarHBondContact O-N 2.91Å; E182-H184 IonicContact OE2-CE1 3.31Å; E182-H184 PolarHBondContact OE2-CE1 2.83Å; E182-H184 VanDerWaalsContact OE2-CE1 3.31Å; E182-H184 IonicContact OE2-NE2 3.47Å; E182-H184 PolarHBondContact OE2-NE2 3.24Å
183F70.4Confident71.6Confident117 Ų117109.5 Ų109.551%0.51357%0.568SS.*  trans-87.1103.6171.8-179.9-101.3000110.1F174 L185F174-F183 AromaticContact CE2-CE2 3.7Å; F174-F183 HydrophobicContact CE2-CE2 3.7Å; F174-F183 HydrophobicContact CE2-CZ 4.21Å; F174-F183 HydrophobicContact CZ-CE2 4.06Å; F183-L185 HydrophobicContact CE1-CD2 3.86Å
184H69.8Low71.9Confident104 Ų104106.8 Ų106.848%0.48156%0.562SS.*PPolyproline II helixtrans-90.1136.5172.3-61.3-64.3000111.6E182E182-H184 PolarHBondContact O-N 2.91Å; E182-H184 IonicContact OE2-CE1 3.31Å; E182-H184 PolarHBondContact OE2-CE1 2.83Å; E182-H184 VanDerWaalsContact OE2-CE1 3.31Å; E182-H184 IonicContact OE2-NE2 3.47Å; E182-H184 PolarHBondContact OE2-NE2 3.24Å
185L71.9Confident72.3Confident68 Ų68114.2 Ų114.236%0.35659%0.594SS.*PPolyproline II helixtrans-69137.8171.2-68.6171.4000110.2F183 V189 L192F183-L185 HydrophobicContact CE1-CD2 3.86Å; L185-V189 HydrophobicContact CB-CB 4.24Å; L185-V189 HydrophobicContact CB-CG1 4.35Å; L185-V189 HydrophobicContact CD1-CG1 4.39Å; L185-V189 HydrophobicContact CD2-CG1 4.05Å; L185-L192 HydrophobicContact CD1-CB 4.37Å; L185-L192 HydrophobicContact CD2-CB 4.29Å; L185-L192 HydrophobicContact CD2-CD1 4.18Å; L185-L192 HydrophobicContact CD2-CD2 4.39Å
186P69.1Low72.8Confident58 Ų58122.2 Ų122.238%0.37763%0.626SS.*PPolyproline II helixtrans-56.3151.6175.9-24.332.5000112.7G188 V189P186-G188 PolarHBondContact O-N 3.43Å; P186-V189 HydrophobicContact CB-CG2 4.19Å; P186-V189 HydrophobicContact CG-CG2 4.41Å; P186-V189 WeakPolarHBondContact O-CB 3.5Å; P186-V189 PolarHBondContact O-N 3.47Å
187K69Low73.3Confident223 Ų223122.3 Ų122.397%0.9763%0.634SS**THydrogen-bonded Turntrans-54.7123.5177.5-70-176.2-179.8177.80110.4
188G73.3Confident74.2Confident75 Ų75124 Ų12477%0.77365%0.653SS**THydrogen-bonded Turntrans102.9-18.8-178.100000114.6P186 K190P186-G188 PolarHBondContact O-N 3.43Å; G188-K190 PolarHBondContact O-N 2.85Å
189V75.9Confident75.3Confident67 Ų67124.2 Ų124.241%0.40666%0.661SS.*  trans-83.4108.2176.5-177.20000109.6L185 P186L185-V189 HydrophobicContact CB-CB 4.24Å; L185-V189 HydrophobicContact CB-CG1 4.35Å; L185-V189 HydrophobicContact CD1-CG1 4.39Å; L185-V189 HydrophobicContact CD2-CG1 4.05Å; P186-V189 HydrophobicContact CB-CG2 4.19Å; P186-V189 HydrophobicContact CG-CG2 4.41Å; P186-V189 WeakPolarHBondContact O-CB 3.5Å; P186-V189 PolarHBondContact O-N 3.47Å
190K79.6Confident76.6Confident200 Ų200125.2 Ų125.287%0.8767%0.665SS**  trans-99.4-23178.7-65.4-175.8-179.9-179.10113.9G188G188-K190 PolarHBondContact O-N 2.85Å
191V83.6Confident77.8Confident121 Ų121127.8 Ų127.873%0.73367%0.666SS**  trans-128.5124-173.6-179.10000108.7
192L84.7Confident79.2Confident99 Ų99123.8 Ų123.852%0.51865%0.65SS.*  trans-102.9109.4172.2-179.963000108.5L185 V194L185-L192 HydrophobicContact CD1-CB 4.37Å; L185-L192 HydrophobicContact CD2-CB 4.29Å; L185-L192 HydrophobicContact CD2-CD1 4.18Å; L185-L192 HydrophobicContact CD2-CD2 4.39Å; L192-V194 HydrophobicContact CD1-CG1 3.86Å; L192-V194 HydrophobicContact CD2-CG1 4.31Å; L192-V194 HydrophobicContact CG-CG1 3.83Å
193S86Confident80.5Confident118 Ų118123.5 Ų123.583%0.82566%0.655SS**  trans-98.2112.8175.3-174.20000109.6
194V85.3Confident81.3Confident81 Ų81120 Ų12049%0.49165%0.645SS.*  trans-136.4143.7-176.9-70.30000110.4L192 A197L192-V194 HydrophobicContact CD1-CG1 3.86Å; L192-V194 HydrophobicContact CD2-CG1 4.31Å; L192-V194 HydrophobicContact CG-CG1 3.83Å; V194-A197 HydrophobicContact CG2-CB 4.17Å
195K85.1Confident81.9Confident225 Ų225118.1 Ų118.198%0.97864%0.643SS**SBendtrans-76.3-34.3173.5-69.9-176.3177.81790112.4
196K85.1Confident82.4Confident188 Ų188120.7 Ų120.782%0.81767%0.674SS**  trans-152.9131.8178.8-174.6178179.9-177.10108.3
197A85.9Confident83.1Confident66 Ų66123.6 Ų123.655%0.54570%0.696SS.*  trans-121.2138.1167.900000108.4V194V194-A197 HydrophobicContact CG2-CB 4.17Å
198S85.5Confident83.9Confident124 Ų124115.4 Ų115.487%0.86767%0.667SS**  trans-122.9109.5172.2-169.50000106.5
199T84.9Confident84.7Confident88 Ų88119.6 Ų119.654%0.5467%0.672SS.*  trans-149.8153-177.5179.10000108.4R201 I202T199-R201 PolarHBondContact OG1-N 3.23Å; T199-R201 PolarHBondContact OG1-O 3.5Å; T199-I202 HydrophobicContact CG2-CD1 4.01Å; T199-I202 HydrophobicContact CG2-CG1 3.47Å; T199-I202 VanDerWaalsContact CG2-CG1 3.47Å
200E83.7Confident85.4Confident206 Ų206120.5 Ų120.596%0.96367%0.674SS**SBendtrans-72.3-33.5176.7-61.9179.2179.300111.4
201R85.8Confident85.9Confident175 Ų175116.3 Ų116.366%0.6666%0.661SS**  trans-148.6133.1-173.8-177.1174.7162.1-173.7-9.7112.3T199 T203T199-R201 PolarHBondContact OG1-N 3.23Å; T199-R201 PolarHBondContact OG1-O 3.5Å; R201-T203 PolarHBondContact NH2-OG1 2.87Å
202I88.3Confident86.2Confident104 Ų104115 Ų11553%0.53365%0.649SS.*  trans-115.1123.4169.2-54.2174.5000107.2T199 L210T199-I202 HydrophobicContact CG2-CD1 4.01Å; T199-I202 HydrophobicContact CG2-CG1 3.47Å; T199-I202 VanDerWaalsContact CG2-CG1 3.47Å; I202-L210 HydrophobicContact CG2-CD1 4Å; I202-L210 HydrophobicContact CG2-CD2 3.86Å
203T88.2Confident86.4Confident87 Ų87118.4 Ų118.453%0.53466%0.659SS.*  trans-140.8141.6-176.1-160.90000109.7R201R201-T203 PolarHBondContact NH2-OG1 2.87Å
204S86.9Confident86.4Confident44 Ų44114.7 Ų114.731%0.30864%0.639SS.*  trans-85.1170.2167.256.70000110.9S208S204-S208 WeakPolarHBondContact CB-O 3.46Å; S204-S208 PolarHBondContact OG-O 3.39Å
205S83.3Confident86.2Confident64 Ų64119 Ų11945%0.44866%0.66SS.*  trans-65.3157.6169.385.80000110.8S207 S208S205-S207 PolarHBondContact O-N 2.83Å; S205-S207 PolarHBondContact OG-N 3.36Å; S205-S207 PolarHBondContact OG-OG 3.29Å; S205-S208 WeakPolarHBondContact CB-OG 3.28Å; S205-S208 PolarHBondContact N-OG 2.83Å; S205-S208 PolarHBondContact O-N 2.9Å; S205-S208 VanDerWaalsContact O-N 3.11Å; S205-S208 VanDerWaalsContact O-O 3.12Å; S205-S208 PolarHBondContact O-OG 3.5Å; S205-S208 WeakPolarHBondContact OG-CB 3.27Å; S205-S208 PolarHBondContact OG-N 3.21Å; S205-S208 PolarHBondContact OG-OG 3.39Å
206A81.6Confident86.1Confident122 Ų122115.2 Ų115.2100%1.00866%0.655SS**THydrogen-bonded Turntrans-58.1-16.3179.600000114.9
207S83.2Confident85.9Confident119 Ų119113.6 Ų113.683%0.83265%0.649SS**THydrogen-bonded Turntrans-111.91.5-176.465.20000114.2S205S205-S207 PolarHBondContact O-N 2.83Å; S205-S207 PolarHBondContact OG-N 3.36Å; S205-S207 PolarHBondContact OG-OG 3.29Å
208S86.9Confident85.9Confident51 Ų51113.7 Ų113.736%0.35765%0.649SS.*SBendtrans-133.1147.7-171.363.70000112.1S204 S205S204-S208 WeakPolarHBondContact CB-O 3.46Å; S204-S208 PolarHBondContact OG-O 3.39Å; S205-S208 WeakPolarHBondContact CB-OG 3.28Å; S205-S208 PolarHBondContact N-OG 2.83Å; S205-S208 PolarHBondContact O-N 2.9Å; S205-S208 VanDerWaalsContact O-N 3.11Å; S205-S208 VanDerWaalsContact O-O 3.12Å; S205-S208 PolarHBondContact O-OG 3.5Å; S205-S208 WeakPolarHBondContact OG-CB 3.27Å; S205-S208 PolarHBondContact OG-N 3.21Å; S205-S208 PolarHBondContact OG-OG 3.39Å
209D90Very high86Confident163 Ų163112.3 Ų112.387%0.87263%0.631SS**  trans-76.5142.4175.2-59.4-26.6000111.9
210L90.1Very high86.2Confident85 Ų85112.8 Ų112.845%0.44563%0.629SS.*  trans-87.9115.9168.7-178.559.2000109.1I202 I212I202-L210 HydrophobicContact CG2-CD1 4Å; I202-L210 HydrophobicContact CG2-CD2 3.86Å; L210-I212 HydrophobicContact CD2-CD1 4.34Å; L210-I212 HydrophobicContact CG-CG1 4.25Å
211N90.3Very high86.5Confident113 Ų113113.3 Ų113.360%0.60462%0.622SS**  trans-111.4114.2177-162.3-29.8000111K213N211-K213 VanDerWaalsContact ND2-CE 3.29Å; N211-K213 WeakPolarHBondContact ND2-CE 3.42Å; N211-K213 WeakPolarHBondContact OD1-CE 3.28Å; N211-K213 WeakPolarHBondContact OD1-CG 3.35Å
212I89.9Confident86.5Confident94 Ų94106.7 Ų106.748%0.48261%0.609SS.*  trans-104.4113.2175.7-57.6176.1000107.7L210 I220L210-I212 HydrophobicContact CD2-CD1 4.34Å; L210-I212 HydrophobicContact CG-CG1 4.25Å; I212-I220 HydrophobicContact CD1-CD1 4.43Å
213K88.3Confident86.4Confident170 Ų170110.2 Ų110.274%0.73963%0.629SS**  trans-116.6133.7177.4-59.1-173.9-179179.10109.9N211N211-K213 VanDerWaalsContact ND2-CE 3.29Å; N211-K213 WeakPolarHBondContact ND2-CE 3.42Å; N211-K213 WeakPolarHBondContact OD1-CE 3.28Å; N211-K213 WeakPolarHBondContact OD1-CG 3.35Å
214G85.6Confident86.3Confident39 Ų39115.7 Ų115.740%0.40265%0.648SS.*  trans-116.3137164.600000108.9T216G214-T216 VanDerWaalsContact C-N 3.32Å; G214-T216 PolarHBondContact O-N 3.26Å
215D81.9Confident86.2Confident173 Ų173116.1 Ų116.193%0.92566%0.659SS**SBendtrans-61.2-43.2-179-63.2-31.8000111.5
216T81.9Confident86.5Confident144 Ų144116.8 Ų116.888%0.88366%0.661SS**SBendtrans-125.8-38.7178.953.70000112.5G214G214-T216 VanDerWaalsContact C-N 3.32Å; G214-T216 PolarHBondContact O-N 3.26Å
217K82.6Confident86.9Confident155 Ų155117 Ų11767%0.67465%0.645SS**  trans-148.5130.9-176.3-167.8177.2-171.8179.20110.8I219K217-I219 HydrophobicContact CD-CD1 3.81Å; K217-I219 HydrophobicContact CD-CG1 3.88Å; K217-I219 HydrophobicContact CG-CD1 4.33Å; K217-I219 HydrophobicContact CG-CG1 3.83Å
218A84.9Confident87.2Confident67 Ų67115.8 Ų115.855%0.55463%0.628SS**  trans-112.4127.1165.300000108.4
219I87.8Confident87.2Confident95 Ų95121 Ų12149%0.48765%0.649SS.*  trans-122.1120.1177.3-47.5-179.5000108.1K217 R221K217-I219 HydrophobicContact CD-CD1 3.81Å; K217-I219 HydrophobicContact CD-CG1 3.88Å; K217-I219 HydrophobicContact CG-CD1 4.33Å; K217-I219 HydrophobicContact CG-CG1 3.83Å; I219-R221 HydrophobicContact CG2-CG 3.87Å
220I89.3Confident87Confident99 Ų99115.8 Ų115.851%0.50863%0.634SS.*  trans-109.2123.1173.8-54.2175.4000106.9I212 V226I212-I220 HydrophobicContact CD1-CD1 4.43Å; I220-V226 HydrophobicContact CG2-CG1 3.79Å; I220-V226 HydrophobicContact CG2-CG2 4.03Å
221R89.4Confident86.8Confident216 Ų216123.9 Ų123.982%0.81566%0.659SS**  trans-131.7136.2178.5-64.3-177.1178.7-178.5-2.4108.6I219I219-R221 HydrophobicContact CG2-CG 3.87Å
222G86.9Confident86.5Confident36 Ų36124.1 Ų124.137%0.37166%0.664SS.*  trans-127.2144.2168.700000109.5E224 G225G222-E224 PolarHBondContact O-N 3.5Å; G222-G225 WeakPolarHBondContact CA-O 3.3Å; G222-G225 PolarHBondContact O-N 2.82Å
223N84.9Confident86.3Confident179 Ų179122.9 Ų122.996%0.95766%0.661SS**THydrogen-bonded Turntrans-64.7-29.7-179.7-70.30.3000111.9
224E86.9Confident86.1Confident201 Ų201121.1 Ų121.194%0.93966%0.655SS**THydrogen-bonded Turntrans-111.913.4-179.5-60.9-179173.200112.3G222G222-E224 PolarHBondContact O-N 3.5Å
225G84.9Confident85.9Confident53 Ų53125.7 Ų125.755%0.54666%0.664SS.*  trans103.3-175.6-17300000113.5G222G222-G225 WeakPolarHBondContact CA-O 3.3Å; G222-G225 PolarHBondContact O-N 2.82Å
226V88.7Confident85.9Confident78 Ų78125.1 Ų125.147%0.47365%0.653SS.*  trans-132.7124.3-176.5-179.10000108.5I220 I228I220-V226 HydrophobicContact CG2-CG1 3.79Å; I220-V226 HydrophobicContact CG2-CG2 4.03Å; V226-I228 HydrophobicContact CG1-CG1 4.09Å
227N90Very high85.5Confident126 Ų126124 Ų12467%0.67464%0.639SS**  trans-109.2120.3174.6-173.5-1.5000110M229N227-M229 WeakPolarHBondContact OD1-CG 3.47Å
228I89.4Confident85Confident95 Ų95121.2 Ų121.249%0.48766%0.655SS.*  trans-110.5111.5177.9-56.2176.2000107.8V226 V233 F235V226-I228 HydrophobicContact CG1-CG1 4.09Å; I228-V233 HydrophobicContact CG2-CG1 4.05Å; I228-V233 HydrophobicContact CG2-CG2 4.12Å; I228-F235 HydrophobicContact CD1-CZ 4.41Å
229M87.6Confident84.5Confident160 Ų160120.7 Ų120.779%0.78866%0.657SS**  trans-117.8135.3177.9-62.7-175.5-69.700110.1N227N227-M229 WeakPolarHBondContact OD1-CG 3.47Å
230G86.1Confident83.4Confident54 Ų54123.8 Ų123.856%0.55767%0.674SS**  trans-169.2160.3175.600000110.5T232G230-T232 PolarHBondContact O-N 2.83Å
231R85.9Confident82.7Confident255 Ų255123.7 Ų123.796%0.96267%0.673SS**SBendtrans-60.8-37.3171.7-179.6-178.8-69.4166.7-1111
232T83.1Confident82.1Confident118 Ų118119.5 Ų119.572%0.72466%0.663SS**  trans-142.7130.1175.6-540000107.5G230G230-T232 PolarHBondContact O-N 2.83Å
233V85.1Confident81.8Confident68 Ų68123.3 Ų123.341%0.41267%0.674SS.*  trans-112.7115.8174.7-176.60000106.9I228 F235I228-V233 HydrophobicContact CG2-CG1 4.05Å; I228-V233 HydrophobicContact CG2-CG2 4.12Å; V233-F235 HydrophobicContact CG1-CD2 4.23Å; V233-F235 HydrophobicContact CG1-CE1 4.23Å; V233-F235 HydrophobicContact CG1-CE2 3.47Å; V233-F235 VanDerWaalsContact CG1-CE2 3.47Å; V233-F235 HydrophobicContact CG1-CZ 3.47Å; V233-F235 VanDerWaalsContact CG1-CZ 3.47Å
234E84.1Confident81.5Confident132 Ų132124.4 Ų124.462%0.61767%0.665SS**  trans-116.2120-178-171.1-171.6-146.300109.7K236E234-K236 HydrophobicContact CG-CG 4.2Å; E234-K236 WeakPolarHBondContact OE1-CE 3.29Å; E234-K236 IonicContact OE1-NZ 2.9Å; E234-K236 PolarHBondContact OE1-NZ 2.88Å; E234-K236 VanDerWaalsContact OE2-CE 3.23Å; E234-K236 WeakPolarHBondContact OE2-CE 3.36Å; E234-K236 IonicContact OE2-NZ 2.66Å; E234-K236 PolarHBondContact OE2-NZ 3.36Å
235F83.4Confident81.1Confident135 Ų135117.5 Ų117.559%0.59264%0.642SS**  trans-101.3112.7173.3-60.4-77.5000109.2I228 V233 I241I228-F235 HydrophobicContact CD1-CZ 4.41Å; V233-F235 HydrophobicContact CG1-CD2 4.23Å; V233-F235 HydrophobicContact CG1-CE1 4.23Å; V233-F235 HydrophobicContact CG1-CE2 3.47Å; V233-F235 VanDerWaalsContact CG1-CE2 3.47Å; V233-F235 HydrophobicContact CG1-CZ 3.47Å; V233-F235 VanDerWaalsContact CG1-CZ 3.47Å; F235-I241 HydrophobicContact CB-CD1 4.38Å
236K80.1Confident80.8Confident161 Ų161124.4 Ų124.470%0.766%0.66SS**  trans-108.7109.2175.5-78.2172.4165.2143.40109.2E234E234-K236 HydrophobicContact CG-CG 4.2Å; E234-K236 WeakPolarHBondContact OE1-CE 3.29Å; E234-K236 IonicContact OE1-NZ 2.9Å; E234-K236 PolarHBondContact OE1-NZ 2.88Å; E234-K236 VanDerWaalsContact OE2-CE 3.23Å; E234-K236 WeakPolarHBondContact OE2-CE 3.36Å; E234-K236 IonicContact OE2-NZ 2.66Å; E234-K236 PolarHBondContact OE2-NZ 3.36Å
237M74.1Confident80.4Confident120 Ų120128.4 Ų128.459%0.59168%0.679SS**  trans-123.9143.1-179.7-56.5-174.381.800109.7G239 I241M237-G239 VanDerWaalsContact C-N 3.33Å; M237-I241 HydrophobicContact CB-CG1 4.19Å; M237-I241 HydrophobicContact CG-CD1 4.45Å; M237-I241 HydrophobicContact CG-CG1 4.19Å; M237-I241 HydrophobicContact SD-CB 4.43Å; M237-I241 HydrophobicContact SD-CD1 4.37Å; M237-I241 HydrophobicContact SD-CG1 3.77Å; M237-I241 HydrophobicContact SD-CG2 4.44Å
238G71.8Confident79.9Confident98 Ų98126.5 Ų126.5100%1.0168%0.676SS**SBendtrans-78.3-16.7178.500000114.1
239G74.4Confident79.5Confident56 Ų56126.2 Ų126.258%0.57767%0.674SS**SBendtrans-125.2-150.617500000111.3M237M237-G239 VanDerWaalsContact C-N 3.33Å
240D66Low79Confident159 Ų159123.9 Ų123.985%0.8567%0.669SS**  trans-73.2148.3-174.7-55.3-37.5000112.8
241I74.3Confident78.8Confident97 Ų97126.4 Ų126.450%0.49767%0.669SS.*  trans-103.4114.8170.9-55.1-175.3000107.4F235 M237 L243F235-I241 HydrophobicContact CB-CD1 4.38Å; M237-I241 HydrophobicContact CB-CG1 4.19Å; M237-I241 HydrophobicContact CG-CD1 4.45Å; M237-I241 HydrophobicContact CG-CG1 4.19Å; M237-I241 HydrophobicContact SD-CB 4.43Å; M237-I241 HydrophobicContact SD-CD1 4.37Å; M237-I241 HydrophobicContact SD-CG1 3.77Å; M237-I241 HydrophobicContact SD-CG2 4.44Å; I241-L243 HydrophobicContact CG2-CD2 4.39Å; I241-L243 HydrophobicContact CG2-CG 4.49Å
242E75.8Confident77.9Confident129 Ų129122 Ų12260%0.60366%0.664SS**  trans-108.5122.5176.7-169.5177.6-161.700110.4R244E242-R244 HydrophobicContact CG-CG 4.04Å; E242-R244 IonicContact OE1-CZ 2.69Å; E242-R244 IonicContact OE1-NE 3.17Å; E242-R244 PolarHBondContact OE1-NE 2.85Å; E242-R244 IonicContact OE1-NH2 2.67Å; E242-R244 PolarHBondContact OE1-NH2 3.24Å; E242-R244 IonicContact OE2-CZ 3.29Å; E242-R244 IonicContact OE2-NE 3.09Å; E242-R244 PolarHBondContact OE2-NE 2.87Å; E242-R244 IonicContact OE2-NH2 3.41Å; E242-R244 PolarHBondContact OE2-NH2 3.47Å
243L81.3Confident77.3Confident115 Ų115119.1 Ų119.160%0.60266%0.658SS**  trans-108.7111174.4-59176.2000108.4I241 I249I241-L243 HydrophobicContact CG2-CD2 4.39Å; I241-L243 HydrophobicContact CG2-CG 4.49Å; L243-I249 HydrophobicContact CB-CD1 3.65Å; L243-I249 WeakPolarHBondContact O-CD1 3.36Å
244R78.9Confident76.4Confident203 Ų203121.7 Ų121.777%0.76668%0.679SS**  trans-110.8130.6175.1-63.2-172.2179.4-172.83.1110E242E242-R244 HydrophobicContact CG-CG 4.04Å; E242-R244 IonicContact OE1-CZ 2.69Å; E242-R244 IonicContact OE1-NE 3.17Å; E242-R244 PolarHBondContact OE1-NE 2.85Å; E242-R244 IonicContact OE1-NH2 2.67Å; E242-R244 PolarHBondContact OE1-NH2 3.24Å; E242-R244 IonicContact OE2-CZ 3.29Å; E242-R244 IonicContact OE2-NE 3.09Å; E242-R244 PolarHBondContact OE2-NE 2.87Å; E242-R244 IonicContact OE2-NH2 3.41Å; E242-R244 PolarHBondContact OE2-NH2 3.47Å
245A78.3Confident75.6Confident55 Ų55118.8 Ų118.846%0.45567%0.67SS.*  trans-133143.5171.700000109.7S248 I249A245-S248 WeakPolarHBondContact CB-O 3.29Å; A245-I249 HydrophobicContact CB-CD1 4.28Å; A245-I249 HydrophobicContact CB-CG1 3.58Å
246E78.4Confident74.7Confident199 Ų199120.8 Ų120.893%0.9368%0.684SS**SBendtrans-70.3-38.2174.9-66.8-179.1173.800111.6
247N79.8Confident74Confident161 Ų161118.1 Ų118.186%0.86167%0.672SS**SBendtrans-107.6-64.8-176.6-72.2-16.9000112.6
248S78.9Confident73.4Confident87 Ų87117.4 Ų117.461%0.60867%0.671SS**  trans-158.5154.5-176.5630000113A245A245-S248 WeakPolarHBondContact CB-O 3.29Å
249I81.5Confident72.6Confident88 Ų88115 Ų11545%0.45164%0.641SS.*  trans-113.2115.3167.9-60.5166.7000106.3L243 A245 L251L243-I249 HydrophobicContact CB-CD1 3.65Å; L243-I249 WeakPolarHBondContact O-CD1 3.36Å; A245-I249 HydrophobicContact CB-CD1 4.28Å; A245-I249 HydrophobicContact CB-CG1 3.58Å; I249-L251 HydrophobicContact CG2-CD2 4.26Å; I249-L251 HydrophobicContact CG2-CG 4.23Å
250V77.3Confident72Confident111 Ų111117.7 Ų117.767%0.67365%0.647SS**  trans-110.6111.5179.5-177.10000108.9N252V250-N252 HydrophobicContact CG1-CB 4.34Å
251L82Confident71.6Confident107 Ų107120.6 Ų120.656%0.5665%0.646SS**  trans-102.289.5173.8-58.2177.8000108.8I249 V255I249-L251 HydrophobicContact CG2-CD2 4.26Å; I249-L251 HydrophobicContact CG2-CG 4.23Å; L251-V255 HydrophobicContact CB-CG2 3.72Å; L251-V255 HydrophobicContact CD1-CG1 4.41Å; L251-V255 HydrophobicContact CD1-CG2 4.16Å
252N67.8Low71.1Confident162 Ų162117.3 Ų117.387%0.86663%0.629SS**  trans-96.5100.5-179-164.6-4.2000110.1V250V250-N252 HydrophobicContact CG1-CB 4.34Å
253G70.6Confident70.1Confident58 Ų58114.8 Ų114.860%0.59862%0.624SS**SBendtrans147.5-171.6-179.600000113.6V255G253-V255 PolarHBondContact O-N 2.87Å; G253-V255 VanDerWaalsContact O-N 3.11Å
254S66.1Low68.9Low122 Ų122111.4 Ų111.485%0.85361%0.609SS**  trans-7696.1174.757.10000110.2
255V67.6Low67.6Low71 Ų71102.4 Ų102.443%0.4358%0.578SS.*  trans-84.4115.6172.1-1680000108.5L251 G253 F257L251-V255 HydrophobicContact CB-CG2 3.72Å; L251-V255 HydrophobicContact CD1-CG1 4.41Å; L251-V255 HydrophobicContact CD1-CG2 4.16Å; G253-V255 PolarHBondContact O-N 2.87Å; G253-V255 VanDerWaalsContact O-N 3.11Å; V255-F257 HydrophobicContact CB-CE2 3.98Å; V255-F257 HydrophobicContact CG1-CD2 3.88Å; V255-F257 HydrophobicContact CG1-CE1 4.21Å; V255-F257 HydrophobicContact CG1-CE2 3.22Å; V255-F257 HydrophobicContact CG1-CZ 3.43Å; V255-F257 VanDerWaalsContact CG1-CZ 3.43Å
256M62.9Low66.5Low177 Ų177105.2 Ų105.287%0.87259%0.59SS**  trans-100113175.2-65.2-157.7-60.500109.9
257F66Low65Low105 Ų10599.7 Ų99.746%0.46157%0.566SS.*  trans-98133.5168.1-62.5-84.5000109.2V255 A259 I262 L287V255-F257 HydrophobicContact CB-CE2 3.98Å; V255-F257 HydrophobicContact CG1-CD2 3.88Å; V255-F257 HydrophobicContact CG1-CE1 4.21Å; V255-F257 HydrophobicContact CG1-CE2 3.22Å; V255-F257 HydrophobicContact CG1-CZ 3.43Å; V255-F257 VanDerWaalsContact CG1-CZ 3.43Å; F257-A259 PolarHBondContact O-N 2.87Å; F257-I262 HydrophobicContact CB-CD1 3.98Å; F257-L287 HydrophobicContact CZ-CD1 4.45Å
258N61.7Low63.7Low106 Ų10699.1 Ų99.157%0.56756%0.562SS**  trans-72.6101174.5-172.9-13.9000109.7T260 R261N258-T260 VanDerWaalsContact CG-OG1 3.3Å; N258-T260 PolarHBondContact O-N 3.27Å; N258-T260 PolarHBondContact OD1-N 3.3Å; N258-T260 PolarHBondContact OD1-OG1 2.97Å; N258-R261 PolarHBondContact O-N 3.14Å
259A55.7Low62.2Low46 Ų46100.5 Ų100.538%0.3857%0.567SS.*G310 helixtrans-62.5-12.9-175.200000114.8F257 R261 R289F257-A259 PolarHBondContact O-N 2.87Å; A259-R261 VanDerWaalsContact C-N 3.25Å; A259-R261 PolarHBondContact O-N 3.41Å; A259-R289 PolarHBondContact O-NH1 3Å
260T60.4Low60.7Low113 Ų113105.5 Ų105.569%0.69359%0.586SS**G310 helixtrans-70.5-20.2177.558.20000113.5N258N258-T260 VanDerWaalsContact CG-OG1 3.3Å; N258-T260 PolarHBondContact O-N 3.27Å; N258-T260 PolarHBondContact OD1-N 3.3Å; N258-T260 PolarHBondContact OD1-OG1 2.97Å
261R59Low59.5Low220 Ų220108.1 Ų108.183%0.8360%0.596SS**G310 helixtrans-107.83-179.2-61.6-169.9-179.5-158.1-0.2113.8N258 A259N258-R261 PolarHBondContact O-N 3.14Å; A259-R261 VanDerWaalsContact C-N 3.25Å; A259-R261 PolarHBondContact O-N 3.41Å
262I63.8Low57.9Low29 Ų29110.2 Ų110.215%0.14961%0.608CS.*SBendtrans-89.2129.6177.7-58.8179.4000108.3F257 S264 L279F257-I262 HydrophobicContact CB-CD1 3.98Å; I262-S264 PolarHBondContact O-N 3.42Å; I262-L279 HydrophobicContact CD1-CD1 4.24Å
263P53.3Low57.3Low76 Ų76106.2 Ų106.249%0.49461%0.605SS.*  trans-52.8131.5174.7-23.332.4000111R289P263-R289 PolarHBondContact O-N 3.19Å
264S57.3Low56.6Low43 Ų43109.5 Ų109.530%0.30161%0.608SS.*EExtended strand (participates in β ladder)trans-112.8123.3-179.1-163.70000108.6I262 T266 R289I262-S264 PolarHBondContact O-N 3.42Å; S264-T266 PolarHBondContact O-N 2.82Å; S264-R289 VanDerWaalsContact CB-NE 3.29Å; S264-R289 PolarHBondContact OG-NE 3.15Å; S264-R289 PolarHBondContact OG-NH2 3.36Å
265S52Low56.6Low15 Ų15110.1 Ų110.111%0.10560%0.598CS.*EExtended strand (participates in β ladder)trans-77.2109.8166.865.10000108.4I301S265-I301 WeakPolarHBondContact OG-CD1 3.4Å
266T54.1Low56.8Low114 Ų114114.9 Ų114.970%0.69961%0.608SS**  trans-93.8101.7176.646.40000109.9S264S264-T266 PolarHBondContact O-N 2.82Å
267D48.3Very low57.4Low83 Ų83110.8 Ų110.844%0.44458%0.583SS.*  trans-103.8125.4158.2-103.5-2.8000108.9K293 S302D267-K293 VanDerWaalsContact O-CE 3.24Å; D267-K293 WeakPolarHBondContact O-CE 3.46Å; D267-K293 PolarHBondContact O-NZ 3.27Å; D267-S302 VanDerWaalsContact CG-OG 3.31Å; D267-S302 PolarHBondContact OD2-OG 2.94Å
268L51.3Low58Low148 Ų148109.8 Ų109.878%0.77558%0.579SS**  trans-46.8140.5-165.3-71.8150.4000116.9K293L268-K293 PolarHBondContact O-NZ 3.24Å
269T48.5Very low58.9Low116 Ų116109 Ų10971%0.71257%0.574SS**  trans42.8118.7152.759.30000120.8
270F48.3Very low60.1Low193 Ų193107 Ų10785%0.84656%0.558SS**  trans-148.6141137-122.3-89000110.5
271N53.6Low61.2Low166 Ų166108 Ų10889%0.88856%0.556SS**  trans-101.692.1-169.8-163.422.3000108.9
272D48.3Very low62.2Low151 Ų15198 Ų9881%0.80752%0.519SS*.SBendtrans-156.4131.6157.9-154.63.1000109.3L274D272-L274 PolarHBondContact O-N 3.12Å
273G54.2Low62.8Low78 Ų78106.3 Ų106.380%0.80456%0.558SS**SBendtrans-63.925.2-151.600000120.1
274L55.6Low63.7Low127 Ų127108 Ų10867%0.66556%0.563SS**  trans-141.686.9174.1-138.286.3000111.4D272 R276D272-L274 PolarHBondContact O-N 3.12Å; L274-R276 PolarHBondContact O-N 3.09Å; L274-R276 VanDerWaalsContact O-N 3.11Å
275E67.9Low64.3Low135 Ų135108 Ų10863%0.63157%0.569SS**  trans-64110.5173.9-65-177.4154.300110.1Y277 L291E275-Y277 HydrophobicContact CB-CE2 3.77Å; E275-Y277 PolarHBondContact OE2-OH 3.02Å; E275-Y277 VanDerWaalsContact OE2-OH 3.05Å; E275-L291 HydrophobicContact CB-CD1 3.98Å; E275-L291 HydrophobicContact CG-CD1 4.28Å
276R69.9Low65.3Low172 Ų172110 Ų11065%0.64958%0.581SS**  trans-98.9130.5175.4-67179.4-177.4165.82.3108.9L274 V292L274-R276 PolarHBondContact O-N 3.09Å; L274-R276 VanDerWaalsContact O-N 3.11Å; R276-V292 HydrophobicContact CB-CB 4.25Å; R276-V292 WeakPolarHBondContact O-CB 3.49Å; R276-V292 WeakPolarHBondContact O-CG2 3.32Å; R276-V292 PolarHBondContact O-N 3.22Å
277Y76.2Confident66.5Low90 Ų90107.4 Ų107.435%0.35356%0.562SS.*EExtended strand (participates in β ladder)trans-113.7142.5177.6-64.7-87.8000111E275 R289 V290 L291E275-Y277 HydrophobicContact CB-CE2 3.77Å; E275-Y277 PolarHBondContact OE2-OH 3.02Å; E275-Y277 VanDerWaalsContact OE2-OH 3.05Å; Y277-R289 HydrophobicContact CD1-CB 4.44Å; Y277-R289 HydrophobicContact CD1-CG 4.24Å; Y277-V290 CarbonylContact C-O 3.54Å; Y277-V290 VanDerWaalsContact CA-O 3.28Å; Y277-V290 WeakPolarHBondContact CA-O 3.45Å; Y277-L291 HydrophobicContact CD1-CB 4.24Å; Y277-L291 HydrophobicContact CD1-CD1 4.19Å; Y277-L291 HydrophobicContact CE1-CB 3.98Å; Y277-L291 HydrophobicContact CE1-CD1 3.69Å; Y277-L291 HydrophobicContact CE1-CG 4.45Å; Y277-L291 HydrophobicContact CE2-CD1 4.33Å
278K79.8Confident67.9Low84 Ų84103.6 Ų103.637%0.36554%0.542SS..EExtended strand (participates in β ladder)trans-100.6137.8164.3-82.1178.5180-167.90109.2R289 V290 V292 M297K278-R289 WeakPolarHBondContact O-CA 3.26Å; K278-V290 PolarHBondContact N-O 3.41Å; K278-V290 PolarHBondContact O-N 3.43Å; K278-V292 HydrophobicContact CB-CG2 4.15Å; K278-V292 HydrophobicContact CD-CG2 3.95Å; K278-V292 HydrophobicContact CG-CG2 3.6Å; K278-M297 WeakPolarHBondContact CD-O 3.35Å; K278-M297 WeakPolarHBondContact CE-O 3.42Å; K278-M297 PolarHBondContact NZ-O 2.82Å
279L79.2Confident69.1Low90 Ų9099.5 Ų99.547%0.47152%0.516SS..EExtended strand (participates in β ladder)trans-89125.6169.8-171.267.5000108.3I262 L287I262-L279 HydrophobicContact CD1-CD1 4.24Å; L279-L287 HydrophobicContact CD1-CB 4.31Å; L279-L287 HydrophobicContact CD2-CD2 4.38Å; L279-L287 HydrophobicContact CG-CD2 4.31Å
280C81.8Confident70.6Confident4 Ų494.1 Ų94.13%0.02748%0.483CS..EExtended strand (participates in β ladder)trans-121151.8-177.5-65.60000109.4L287 F288 V290 C299C280-L287 WeakPolarHBondContact O-CA 3.49Å; C280-F288 HydrophobicContact CB-CD1 3.9Å; C280-F288 HydrophobicContact CB-CD2 4Å; C280-F288 HydrophobicContact CB-CE1 3.43Å; C280-F288 VanDerWaalsContact CB-CE1 3.43Å; C280-F288 HydrophobicContact CB-CE2 3.55Å; C280-F288 HydrophobicContact CB-CG 4.17Å; C280-F288 HydrophobicContact CB-CZ 3.26Å; C280-F288 PolarHBondContact N-O 3.16Å; C280-F288 WeakPolarHBondContact O-CD1 3.43Å; C280-F288 PolarHBondContact O-N 3.08Å; C280-V290 HydrophobicContact CB-CG2 4.42Å; C280-C299 HydrophobicContact CB-CB 3.6Å; C280-C299 WeakPolarHBondContact CB-SG 3.31Å; C280-C299 WeakPolarHBondContact SG-CA 3.22Å; C280-C299 WeakPolarHBondContact SG-CB 3.29Å; C280-C299 CovalentContact SG-SG 2.03Å; C280-C299 PolarHBondContact SG-SG 2.95Å
281M82.8Confident72Confident135 Ų13586.8 Ų86.867%0.66545%0.452SS*.EExtended strand (participates in β ladder)trans-126.5130.6-179.2-168.8171.667.200108.8T286 L287M281-T286 WeakPolarHBondContact CA-O 3.34Å; M281-L287 HydrophobicContact CB-CD2 3.82Å; M281-L287 HydrophobicContact CG-CD2 3.88Å; M281-L287 HydrophobicContact SD-CD2 4.23Å
282C79.9Confident73.2Confident8 Ų880.7 Ų80.75%0.05442%0.421CS..  trans-74.6165.9173.1-60.70000111.1D284 G285 T286 F288 C306C282-D284 WeakPolarHBondContact CB-OD1 3.5Å; C282-D284 PolarHBondContact O-N 3.16Å; C282-G285 PolarHBondContact O-N 3.05Å; C282-T286 WeakPolarHBondContact CB-O 3.5Å; C282-T286 PolarHBondContact N-O 3.36Å; C282-T286 PolarHBondContact SG-O 3.34Å; C282-T286 VanDerWaalsContact SG-O 3.39Å; C282-F288 VanDerWaalsContact SG-CD1 3.57Å; C282-F288 VanDerWaalsContact SG-CE1 3.54Å; C282-C306 WeakPolarHBondContact CA-SG 3.49Å; C282-C306 HydrophobicContact CB-CB 3.59Å; C282-C306 WeakPolarHBondContact CB-SG 3.37Å; C282-C306 WeakPolarHBondContact SG-CA 3.47Å; C282-C306 WeakPolarHBondContact SG-CB 3.3Å; C282-C306 CovalentContact SG-SG 2.01Å; C282-C306 PolarHBondContact SG-SG 3.36Å
283E77.2Confident74.4Confident205 Ų20577.7 Ų77.796%0.95840%0.401SS*.THydrogen-bonded Turntrans-63.7-28.6177.5-168.9174.5-177.300112.3G285E283-G285 PolarHBondContact O-N 3.08Å
284D72.3Confident75.5Confident111 Ų11179.6 Ų79.659%0.59439%0.387SS*.THydrogen-bonded Turntrans-78.6-1.917470.4-12.9000113.9C282 T286C282-D284 WeakPolarHBondContact CB-OD1 3.5Å; C282-D284 PolarHBondContact O-N 3.16Å; D284-T286 VanDerWaalsContact CG-OG1 3.26Å; D284-T286 VanDerWaalsContact OD1-CB 3.26Å; D284-T286 WeakPolarHBondContact OD1-CB 3.34Å; D284-T286 PolarHBondContact OD1-N 3.1Å; D284-T286 PolarHBondContact OD1-OG1 3.24Å; D284-T286 VanDerWaalsContact OD1-OG1 3.08Å; D284-T286 PolarHBondContact OD2-OG1 3.06Å
285G69Low76.3Confident42 Ų4279.1 Ų79.143%0.43339%0.392SS..  trans87.41.3-177.800000115.1C282 E283 L287C282-G285 PolarHBondContact O-N 3.05Å; E283-G285 PolarHBondContact O-N 3.08Å; G285-L287 PolarHBondContact O-N 3.33Å
286T74.3Confident76.7Confident59 Ų5980.2 Ų80.236%0.36240%0.402SS..  trans-65.9124.1176.8-60.90000110.7M281 C282 D284M281-T286 WeakPolarHBondContact CA-O 3.34Å; C282-T286 WeakPolarHBondContact CB-O 3.5Å; C282-T286 PolarHBondContact N-O 3.36Å; C282-T286 PolarHBondContact SG-O 3.34Å; C282-T286 VanDerWaalsContact SG-O 3.39Å; D284-T286 VanDerWaalsContact CG-OG1 3.26Å; D284-T286 VanDerWaalsContact OD1-CB 3.26Å; D284-T286 WeakPolarHBondContact OD1-CB 3.34Å; D284-T286 PolarHBondContact OD1-N 3.1Å; D284-T286 PolarHBondContact OD1-OG1 3.24Å; D284-T286 VanDerWaalsContact OD1-OG1 3.08Å; D284-T286 PolarHBondContact OD2-OG1 3.06Å
287L77.9Confident77.1Confident58 Ų5873.1 Ų73.130%0.30438%0.377SS..EExtended strand (participates in β ladder)trans-89132.1176.6-68174.6000111.1F257 L279 C280 M281 G285F257-L287 HydrophobicContact CZ-CD1 4.45Å; L279-L287 HydrophobicContact CD1-CB 4.31Å; L279-L287 HydrophobicContact CD2-CD2 4.38Å; L279-L287 HydrophobicContact CG-CD2 4.31Å; C280-L287 WeakPolarHBondContact O-CA 3.49Å; M281-L287 HydrophobicContact CB-CD2 3.82Å; M281-L287 HydrophobicContact CG-CD2 3.88Å; M281-L287 HydrophobicContact SD-CD2 4.23Å; G285-L287 PolarHBondContact O-N 3.33Å
288F79.3Confident77.2Confident4 Ų470.9 Ų70.92%0.01838%0.38CS..EExtended strand (participates in β ladder)trans-138.5155.8175.167.2-79.5000111.1C280 C282 V290 C299 I301 P305 C306C280-F288 HydrophobicContact CB-CD1 3.9Å; C280-F288 HydrophobicContact CB-CD2 4Å; C280-F288 HydrophobicContact CB-CE1 3.43Å; C280-F288 VanDerWaalsContact CB-CE1 3.43Å; C280-F288 HydrophobicContact CB-CE2 3.55Å; C280-F288 HydrophobicContact CB-CG 4.17Å; C280-F288 HydrophobicContact CB-CZ 3.26Å; C280-F288 PolarHBondContact N-O 3.16Å; C280-F288 WeakPolarHBondContact O-CD1 3.43Å; C280-F288 PolarHBondContact O-N 3.08Å; C282-F288 VanDerWaalsContact SG-CD1 3.57Å; C282-F288 VanDerWaalsContact SG-CE1 3.54Å; F288-V290 HydrophobicContact CD2-CG2 3.71Å; F288-V290 HydrophobicContact CE2-CG2 3.39Å; F288-V290 HydrophobicContact CZ-CG2 4.49Å; F288-C299 HydrophobicContact CZ-CB 4.44Å; F288-I301 HydrophobicContact CD2-CD1 3.95Å; F288-I301 HydrophobicContact CE2-CD1 3.56Å; F288-I301 HydrophobicContact CE2-CG1 4.13Å; F288-P305 HydrophobicContact CB-CB 4.45Å; F288-P305 HydrophobicContact CB-CG 3.49Å; F288-P305 VanDerWaalsContact CB-CG 3.49Å; F288-P305 HydrophobicContact CD1-CG 3.93Å; F288-P305 HydrophobicContact CD2-CG 3.5Å; F288-P305 VanDerWaalsContact CD2-CG 3.5Å; F288-P305 HydrophobicContact CE2-CG 4.12Å; F288-P305 HydrophobicContact CG-CG 3.37Å; F288-C306 WeakPolarHBondContact CE1-SG 3.28Å
289R76.5Confident77.2Confident61 Ų6169.7 Ų69.723%0.2338%0.382CS..EExtended strand (participates in β ladder)trans-106139.1177.370.5-179.3-168.7-176.63.3111.5A259 P263 S264 Y277 K278A259-R289 PolarHBondContact O-NH1 3Å; P263-R289 PolarHBondContact O-N 3.19Å; S264-R289 VanDerWaalsContact CB-NE 3.29Å; S264-R289 PolarHBondContact OG-NE 3.15Å; S264-R289 PolarHBondContact OG-NH2 3.36Å; Y277-R289 HydrophobicContact CD1-CB 4.44Å; Y277-R289 HydrophobicContact CD1-CG 4.24Å; K278-R289 WeakPolarHBondContact O-CA 3.26Å
290V79.8Confident77Confident3 Ų374.4 Ų74.42%0.01840%0.402CS..EExtended strand (participates in β ladder)trans-116.5130176.8179.70000109.4Y277 K278 C280 F288 V292 M297 I301Y277-V290 CarbonylContact C-O 3.54Å; Y277-V290 VanDerWaalsContact CA-O 3.28Å; Y277-V290 WeakPolarHBondContact CA-O 3.45Å; K278-V290 PolarHBondContact N-O 3.41Å; K278-V290 PolarHBondContact O-N 3.43Å; C280-V290 HydrophobicContact CB-CG2 4.42Å; F288-V290 HydrophobicContact CD2-CG2 3.71Å; F288-V290 HydrophobicContact CE2-CG2 3.39Å; F288-V290 HydrophobicContact CZ-CG2 4.49Å; V290-V292 PolarHBondContact O-N 3.24Å; V290-M297 HydrophobicContact CG1-CE 3.95Å; V290-I301 HydrophobicContact CB-CG2 4.3Å; V290-I301 HydrophobicContact CG1-CG2 3.44Å; V290-I301 VanDerWaalsContact CG1-CG2 3.44Å; V290-I301 HydrophobicContact CG2-CD1 4.08Å; V290-I301 HydrophobicContact CG2-CG2 3.87Å
291L77.1Confident76.6Confident39 Ų3975.7 Ų75.720%0.20441%0.408CS..EExtended strand (participates in β ladder)trans-71.4123.5172.5-177.370.2000109.8E275 Y277 K293 M297E275-L291 HydrophobicContact CB-CD1 3.98Å; E275-L291 HydrophobicContact CG-CD1 4.28Å; Y277-L291 HydrophobicContact CD1-CB 4.24Å; Y277-L291 HydrophobicContact CD1-CD1 4.19Å; Y277-L291 HydrophobicContact CE1-CB 3.98Å; Y277-L291 HydrophobicContact CE1-CD1 3.69Å; Y277-L291 HydrophobicContact CE1-CG 4.45Å; Y277-L291 HydrophobicContact CE2-CD1 4.33Å; L291-K293 PolarHBondContact O-N 2.98Å; L291-M297 VanDerWaalsContact O-SD 3.38Å
292V78.3Confident75.9Confident38 Ų3873.6 Ų73.623%0.2341%0.407CS..  trans-82.8107.1179.7-177.50000109.4R276 K278 V290 F294 M297R276-V292 HydrophobicContact CB-CB 4.25Å; R276-V292 WeakPolarHBondContact O-CB 3.49Å; R276-V292 WeakPolarHBondContact O-CG2 3.32Å; R276-V292 PolarHBondContact O-N 3.22Å; K278-V292 HydrophobicContact CB-CG2 4.15Å; K278-V292 HydrophobicContact CD-CG2 3.95Å; K278-V292 HydrophobicContact CG-CG2 3.6Å; V290-V292 PolarHBondContact O-N 3.24Å; V292-F294 WeakPolarHBondContact CG1-O 3.38Å; V292-M297 HydrophobicContact CG1-CB 4.44Å
293K74.9Confident75.4Confident88 Ų8878.4 Ų78.438%0.38343%0.432SS..  trans-90.8-25.6178.9-62.4-173.7-177.9-174.90113.9D267 L268 L291 M297D267-K293 VanDerWaalsContact O-CE 3.24Å; D267-K293 WeakPolarHBondContact O-CE 3.46Å; D267-K293 PolarHBondContact O-NZ 3.27Å; L268-K293 PolarHBondContact O-NZ 3.24Å; L291-K293 PolarHBondContact O-N 2.98Å; K293-M297 HydrophobicContact CB-SD 4.32Å; K293-M297 PolarHBondContact N-SD 3.33Å
294F76.6Confident75Confident118 Ų11872.3 Ų72.352%0.51841%0.406SS..SBendtrans-147.9157.3-177.745.7-91.2000111.7V292 M297V292-F294 WeakPolarHBondContact CG1-O 3.38Å; F294-M297 HydrophobicContact CD1-SD 4.48Å; F294-M297 HydrophobicContact CD2-CB 3.9Å; F294-M297 HydrophobicContact CE1-CE 4.49Å; F294-M297 HydrophobicContact CE1-CG 4.38Å; F294-M297 HydrophobicContact CE1-SD 4.03Å; F294-M297 HydrophobicContact CE2-CB 3.68Å; F294-M297 HydrophobicContact CE2-CG 3.9Å; F294-M297 HydrophobicContact CZ-CB 4.11Å; F294-M297 HydrophobicContact CZ-CE 4.47Å; F294-M297 HydrophobicContact CZ-CG 3.82Å; F294-M297 HydrophobicContact CZ-SD 4.06Å; F294-M297 WeakPolarHBondContact O-CB 3.37Å; F294-M297 PolarHBondContact O-N 3Å
295P72.5Confident75Confident117 Ų11769.6 Ų69.676%0.7639%0.394SS*.THydrogen-bonded Turntrans-55.6142.3174.1-21.932.7000111.4M297P295-M297 VanDerWaalsContact C-N 3.27Å; P295-M297 PolarHBondContact O-N 3.09Å
296N75.8Confident75.1Confident159 Ų15969.2 Ų69.285%0.8539%0.385SS*.THydrogen-bonded Turntrans65.415.2-179-57.4-26000116.7G298N296-G298 PolarHBondContact O-N 3.32Å
297M78.9Confident74.5Confident23 Ų2368.7 Ų68.711%0.11339%0.392CS..  trans-60.7123.9171-171.1173.2-175.300111.3K278 V290 L291 V292 K293 F294 P295 I301K278-M297 WeakPolarHBondContact CD-O 3.35Å; K278-M297 WeakPolarHBondContact CE-O 3.42Å; K278-M297 PolarHBondContact NZ-O 2.82Å; V290-M297 HydrophobicContact CG1-CE 3.95Å; L291-M297 VanDerWaalsContact O-SD 3.38Å; V292-M297 HydrophobicContact CG1-CB 4.44Å; K293-M297 HydrophobicContact CB-SD 4.32Å; K293-M297 PolarHBondContact N-SD 3.33Å; F294-M297 HydrophobicContact CD1-SD 4.48Å; F294-M297 HydrophobicContact CD2-CB 3.9Å; F294-M297 HydrophobicContact CE1-CE 4.49Å; F294-M297 HydrophobicContact CE1-CG 4.38Å; F294-M297 HydrophobicContact CE1-SD 4.03Å; F294-M297 HydrophobicContact CE2-CB 3.68Å; F294-M297 HydrophobicContact CE2-CG 3.9Å; F294-M297 HydrophobicContact CZ-CB 4.11Å; F294-M297 HydrophobicContact CZ-CE 4.47Å; F294-M297 HydrophobicContact CZ-CG 3.82Å; F294-M297 HydrophobicContact CZ-SD 4.06Å; F294-M297 WeakPolarHBondContact O-CB 3.37Å; F294-M297 PolarHBondContact O-N 3Å; P295-M297 VanDerWaalsContact C-N 3.27Å; P295-M297 PolarHBondContact O-N 3.09Å; M297-I301 HydrophobicContact CE-CG2 4.42Å
298G78.7Confident73.3Confident42 Ų4275.7 Ų75.743%0.43342%0.419SS..  trans-82.4-169.7176.300000113.2N296 Q300N296-G298 PolarHBondContact O-N 3.32Å; G298-Q300 PolarHBondContact O-N 3.19Å
299C78.9Confident71.4Confident60 Ų6080.1 Ų80.141%0.40546%0.457SS..SBendtrans-82.66.1174.5-70.30000113.9C280 F288 I301C280-C299 HydrophobicContact CB-CB 3.6Å; C280-C299 WeakPolarHBondContact CB-SG 3.31Å; C280-C299 WeakPolarHBondContact SG-CA 3.22Å; C280-C299 WeakPolarHBondContact SG-CB 3.29Å; C280-C299 CovalentContact SG-SG 2.03Å; C280-C299 PolarHBondContact SG-SG 2.95Å; F288-C299 HydrophobicContact CZ-CB 4.44Å; C299-I301 PolarHBondContact O-N 3.46Å
300Q73.9Confident69.4Low188 Ų18889.6 Ų89.688%0.87950%0.503SS*.  trans-83.8116.3178.4-62.5-155.3-5.700110G298G298-Q300 PolarHBondContact O-N 3.19Å
301I73.8Confident68.9Low31 Ų3193.9 Ų93.916%0.15953%0.527CS..  trans-131.4151.2-178.848.2168.4000109.3S265 F288 V290 M297 C299 D303 N304 P305S265-I301 WeakPolarHBondContact OG-CD1 3.4Å; F288-I301 HydrophobicContact CD2-CD1 3.95Å; F288-I301 HydrophobicContact CE2-CD1 3.56Å; F288-I301 HydrophobicContact CE2-CG1 4.13Å; V290-I301 HydrophobicContact CB-CG2 4.3Å; V290-I301 HydrophobicContact CG1-CG2 3.44Å; V290-I301 VanDerWaalsContact CG1-CG2 3.44Å; V290-I301 HydrophobicContact CG2-CD1 4.08Å; V290-I301 HydrophobicContact CG2-CG2 3.87Å; M297-I301 HydrophobicContact CE-CG2 4.42Å; C299-I301 PolarHBondContact O-N 3.46Å; I301-D303 WeakPolarHBondContact CD1-O 3.47Å; I301-N304 HydrophobicContact CG1-CB 4.47Å; I301-P305 VanDerWaalsContact CD1-CD 3.49Å; I301-P305 HydrophobicContact CD1-CG 4.45Å
302S68.3Low68.4Low92 Ų9296.8 Ų96.864%0.64354%0.544SS*.SBendtrans-60.3-46.7-179.153.70000112D267 N304D267-S302 VanDerWaalsContact CG-OG 3.31Å; D267-S302 PolarHBondContact OD2-OG 2.94Å; S302-N304 PolarHBondContact O-N 3.19Å
303D69.9Low67.9Low108 Ų108100.1 Ų100.158%0.57856%0.562SS**SBendtrans-98.673.6177.8-165.616.8000109.5I301 P305I301-D303 WeakPolarHBondContact CD1-O 3.47Å; D303-P305 WeakPolarHBondContact O-CD 3.41Å
304N69.6Low67.5Low77 Ų77100.8 Ų100.841%0.41257%0.572SS.*  trans-73.2111.9-175.7-172.92.7000110.9I301 S302 C306 G307I301-N304 HydrophobicContact CG1-CB 4.47Å; S302-N304 PolarHBondContact O-N 3.19Å; N304-C306 PolarHBondContact O-N 3.13Å; N304-C306 VanDerWaalsContact O-N 3.12Å; N304-C306 WeakPolarHBondContact OD1-CB 3.38Å; N304-C306 PolarHBondContact OD1-N 3.15Å; N304-C306 PolarHBondContact OD1-SG 2.98Å; N304-G307 PolarHBondContact O-N 2.98Å
305P71.1Confident66.9Low54 Ų5499.7 Ų99.735%0.35158%0.576SS.*THydrogen-bonded Turntrans-69.5-8.2179.430.5-34.2000112.7F288 I301 D303 G307F288-P305 HydrophobicContact CB-CB 4.45Å; F288-P305 HydrophobicContact CB-CG 3.49Å; F288-P305 VanDerWaalsContact CB-CG 3.49Å; F288-P305 HydrophobicContact CD1-CG 3.93Å; F288-P305 HydrophobicContact CD2-CG 3.5Å; F288-P305 VanDerWaalsContact CD2-CG 3.5Å; F288-P305 HydrophobicContact CE2-CG 4.12Å; F288-P305 HydrophobicContact CG-CG 3.37Å; I301-P305 VanDerWaalsContact CD1-CD 3.49Å; I301-P305 HydrophobicContact CD1-CG 4.45Å; D303-P305 WeakPolarHBondContact O-CD 3.41Å; P305-G307 PolarHBondContact O-N 3.35Å
306C71.3Confident66.5Low34 Ų3498.5 Ų98.523%0.2356%0.564CS.*THydrogen-bonded Turntrans-67.40.7175.8-56.60000114.8C282 F288 N304C282-C306 WeakPolarHBondContact CA-SG 3.49Å; C282-C306 HydrophobicContact CB-CB 3.59Å; C282-C306 WeakPolarHBondContact CB-SG 3.37Å; C282-C306 WeakPolarHBondContact SG-CA 3.47Å; C282-C306 WeakPolarHBondContact SG-CB 3.3Å; C282-C306 CovalentContact SG-SG 2.01Å; C282-C306 PolarHBondContact SG-SG 3.36Å; F288-C306 WeakPolarHBondContact CE1-SG 3.28Å; N304-C306 PolarHBondContact O-N 3.13Å; N304-C306 VanDerWaalsContact O-N 3.12Å; N304-C306 WeakPolarHBondContact OD1-CB 3.38Å; N304-C306 PolarHBondContact OD1-N 3.15Å; N304-C306 PolarHBondContact OD1-SG 2.98Å
307G62Low65.9Low49 Ų4994.2 Ų94.251%0.50554%0.543SS..  trans66.4153.2-178.800000112.4N304 P305 A309N304-G307 PolarHBondContact O-N 2.98Å; P305-G307 PolarHBondContact O-N 3.35Å; G307-A309 PolarHBondContact O-N 3.07Å; G307-A309 VanDerWaalsContact O-N 3.12Å
308K51.4Low64.9Low204 Ų20499.7 Ų99.789%0.88758%0.576SS**  trans-69.9108.9161-77180177.3176.40105.9H310K308-H310 PolarHBondContact O-N 3.13Å
309A39.8Very low63.7Low98 Ų98104.5 Ų104.581%0.8159%0.588SS**  trans-45.3126.2168.400000109G307G307-A309 PolarHBondContact O-N 3.07Å; G307-A309 VanDerWaalsContact O-N 3.12Å
310H34.7Very low62.3Low259 Ų259108.5 Ų108.5100%1.19961%0.605SS**  trans-95.60168.4-115.6-55.2000108.9K308K308-H310 PolarHBondContact O-N 3.13Å

Retrieved 310 of 310 residues in 181.3 ms (Link to these results)