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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 A0A060XD29, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 313 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
1M34.7Very low37.9Very low240 Ų240145.6 Ų145.6100%1.18285%0.848SS**  092.40-81.8169.1144.400106
2A36.3Very low39.6Very low96 Ų96145.1 Ų145.179%0.79385%0.848SS**  71.5124.697.800000110.1
3S34.7Very low40.8Very low118 Ų118149.4 Ų149.483%0.82585%0.85SS**  cis-172155.313.618.80000108.3
4E41.5Very low42.2Very low185 Ų185150.6 Ų150.686%0.86483%0.834SS**  trans-56.9153.7172.3-71.3158.3110.600114
5Q35.9Very low44.1Very low196 Ų196145.4 Ų145.492%0.91681%0.812SS**  trans-158.1106.2143.9-113.6170.52.900111.9
6E35.9Very low45.5Very low195 Ų195146.8 Ų146.891%0.91181%0.813SS**  trans-64.7142.1157.7-74.6178124.900110.3
7S34.6Very low46.8Very low116 Ų116149.6 Ų149.681%0.81181%0.808SS**  trans-121.9107.1168.2-167.30000110.5
8S34.4Very low48.1Very low111 Ų111147.3 Ų147.378%0.77679%0.791SS**  trans-77.4121.1175.1163.60000110.9
9N40.6Very low49.2Very low165 Ų165146 Ų14688%0.88278%0.778SS**  trans-109.887.5167.7-93.1-22.6000109.9
10G40.2Very low50.1Low52 Ų52141.4 Ų141.454%0.53676%0.761SS.*  trans-88.2156.4167.200000112.6
11P48.4Very low51Low128 Ų128140.2 Ų140.283%0.83175%0.752SS**  trans-72.2130-173.227.9-32.9000112.8K13P11-K13 PolarHBondContact O-N 3.01Å
12V58.4Low52.6Low139 Ų139134 Ų13484%0.84272%0.721SS**  trans-64.2115.4-179.5-179.50000110.8R14V12-R14 PolarHBondContact O-N 2.94Å
13K55Low53.9Low201 Ų201138.8 Ų138.887%0.87472%0.718SS**  trans-74.4106.2174.5-71.1-179.6179.4176.10109.9P11P11-K13 PolarHBondContact O-N 3.01Å
14R60Low55.1Low167 Ų167143 Ų14363%0.6372%0.716SS**  trans-62.9142.1171.4-71.3-172.5-180174.6-1.8112V12V12-R14 PolarHBondContact O-N 2.94Å
15S70.9Confident56.1Low72 Ų72138 Ų13850%0.50370%0.698SS.*  trans-66.5144.7-174.5175.60000112.3R17 E18 K19S15-R17 PolarHBondContact O-N 3.32Å; S15-E18 PolarHBondContact O-N 2.98Å; S15-K19 PolarHBondContact O-N 3.33Å
16M66.1Low57.1Low168 Ų168131.8 Ų131.883%0.82867%0.673SS**Hα-helixtrans-53.8-28.3177.8-78.7-115-78.800113.1A20M16-A20 WeakPolarHBondContact O-CB 3.16Å; M16-A20 PolarHBondContact O-N 3.32Å; M16-A20 VanDerWaalsContact O-N 3.1Å
17R68.1Low58Low195 Ų195128.3 Ų128.374%0.73666%0.661SS**Hα-helixtrans-71-36.5177.6-170.8174.5175.2172.1-2.3112.9S15 A20 M21S15-R17 PolarHBondContact O-N 3.32Å; R17-A20 PolarHBondContact O-N 3.13Å; R17-M21 PolarHBondContact O-N 2.77Å; R17-M21 VanDerWaalsContact O-N 3.15Å
18E69.2Low59.1Low107 Ų107131.4 Ų131.450%0.566%0.66SS.*Hα-helixtrans-68.8-43.5175.4-75.3-179.4140.400111S15 A20 M21 E22S15-E18 PolarHBondContact O-N 2.98Å; E18-A20 PolarHBondContact O-N 3.36Å; E18-M21 PolarHBondContact O-N 3.23Å; E18-M21 VanDerWaalsContact O-N 3.17Å; E18-E22 PolarHBondContact O-N 3.11Å
19K70.2Confident60.1Low123 Ų123133.3 Ų133.354%0.53566%0.657SS.*Hα-helixtrans-62.2-32.5176.2-70.6-176.4177.61790112.6S15 R23S15-K19 PolarHBondContact O-N 3.33Å; K19-R23 WeakPolarHBondContact O-CG 3.41Å; K19-R23 PolarHBondContact O-N 3.34Å
20A67.2Low60.8Low54 Ų54133 Ų13345%0.44665%0.65SS.*Hα-helixtrans-74.4-33.6176.700000112.9M16 R17 E18 R24M16-A20 WeakPolarHBondContact O-CB 3.16Å; M16-A20 PolarHBondContact O-N 3.32Å; M16-A20 VanDerWaalsContact O-N 3.1Å; R17-A20 PolarHBondContact O-N 3.13Å; E18-A20 PolarHBondContact O-N 3.36Å; A20-R24 PolarHBondContact O-N 3.24Å
21M68.8Low61.4Low116 Ų116136.8 Ų136.857%0.57166%0.657SS**Hα-helixtrans-72.6-40.3175.7-72.7-150-82.100112.2R17 E18 R23 R24 T25R17-M21 PolarHBondContact O-N 2.77Å; R17-M21 VanDerWaalsContact O-N 3.15Å; E18-M21 PolarHBondContact O-N 3.23Å; E18-M21 VanDerWaalsContact O-N 3.17Å; M21-R23 VanDerWaalsContact C-N 3.31Å; M21-R23 PolarHBondContact O-N 2.84Å; M21-R24 PolarHBondContact O-N 2.81Å; M21-T25 PolarHBondContact O-N 2.93Å; M21-T25 PolarHBondContact O-OG1 3.28Å
22E67.1Low61.6Low111 Ų111135.7 Ų135.752%0.51965%0.653SS.*Hα-helixtrans-64.3-35.1177.4-168.5173.1-164.700112.6E18 R24 T25 T26E18-E22 PolarHBondContact O-N 3.11Å; E22-R24 VanDerWaalsContact C-N 3.32Å; E22-T25 WeakPolarHBondContact CA-OG1 3.26Å; E22-T25 PolarHBondContact O-OG1 2.85Å; E22-T26 PolarHBondContact O-N 3.17Å; E22-T26 PolarHBondContact O-OG1 3Å
23R63.7Low61.1Low196 Ų196135.3 Ų135.374%0.7465%0.646SS**Hα-helixtrans-71.4-25.1173.1-73.7-178.6177.8-167.3-1.3113.3K19 M21 T26 N27K19-R23 WeakPolarHBondContact O-CG 3.41Å; K19-R23 PolarHBondContact O-N 3.34Å; M21-R23 VanDerWaalsContact C-N 3.31Å; M21-R23 PolarHBondContact O-N 2.84Å; R23-T26 WeakPolarHBondContact CA-OG1 3.44Å; R23-T26 PolarHBondContact O-OG1 3.25Å; R23-N27 WeakPolarHBondContact O-CB 3.46Å; R23-N27 PolarHBondContact O-N 3.46Å
24R61.9Low61Low205 Ų205134.9 Ų134.977%0.77465%0.645SS**Hα-helixtrans-82.7-31.1176.1-83.1-175.6175.4-177.9-0.5112.6A20 M21 E22 K28A20-R24 PolarHBondContact O-N 3.24Å; M21-R24 PolarHBondContact O-N 2.81Å; E22-R24 VanDerWaalsContact C-N 3.32Å; R24-K28 PolarHBondContact O-N 3.14Å
25T60.6Low60.2Low80 Ų80136.6 Ų136.649%0.49166%0.657SS.*Hα-helixtrans-73.8-46.2175.847.90000111.5M21 E22 N27 K28 E29M21-T25 PolarHBondContact O-N 2.93Å; M21-T25 PolarHBondContact O-OG1 3.28Å; E22-T25 WeakPolarHBondContact CA-OG1 3.26Å; E22-T25 PolarHBondContact O-OG1 2.85Å; T25-N27 VanDerWaalsContact C-N 3.3Å; T25-N27 PolarHBondContact O-N 3.23Å; T25-K28 PolarHBondContact O-N 2.71Å; T25-E29 PolarHBondContact O-N 3Å
26T58.7Low59.4Low66 Ų66138.7 Ų138.741%0.40568%0.678SS.*Hα-helixtrans-61.4-35.817742.60000113E22 R23 K28 E29 H30E22-T26 PolarHBondContact O-N 3.17Å; E22-T26 PolarHBondContact O-OG1 3Å; R23-T26 WeakPolarHBondContact CA-OG1 3.44Å; R23-T26 PolarHBondContact O-OG1 3.25Å; T26-K28 VanDerWaalsContact C-N 3.3Å; T26-K28 PolarHBondContact O-N 2.97Å; T26-E29 PolarHBondContact O-N 3.27Å; T26-H30 PolarHBondContact O-CD2 3.26Å; T26-H30 VanDerWaalsContact O-CD2 3.28Å; T26-H30 PolarHBondContact O-N 3Å
27N54.4Low58.5Low122 Ų122133.7 Ų133.765%0.65267%0.67SS**Hα-helixtrans-77.4-15.3178.1-141.5-8.4000113.4R23 T25R23-N27 WeakPolarHBondContact O-CB 3.46Å; R23-N27 PolarHBondContact O-N 3.46Å; T25-N27 VanDerWaalsContact C-N 3.3Å; T25-N27 PolarHBondContact O-N 3.23Å
28K56.6Low57.7Low181 Ų181135 Ų13579%0.78768%0.677SS**Hα-helixtrans-83-31171.1-111.7-178.1176-174.30112.3R24 T25 T26R24-K28 PolarHBondContact O-N 3.14Å; T25-K28 PolarHBondContact O-N 2.71Å; T26-K28 VanDerWaalsContact C-N 3.3Å; T26-K28 PolarHBondContact O-N 2.97Å
29E56.1Low57Low152 Ų152135.8 Ų135.871%0.7169%0.688SS**Hα-helixtrans-77.7-25.4178.9-70.5-173.5174.500113.2T25 T26T25-E29 PolarHBondContact O-N 3Å; T26-E29 PolarHBondContact O-N 3.27Å
30H55.8Low56.2Low158 Ų158134.4 Ų134.473%0.73169%0.692SS**THydrogen-bonded Turntrans-94.24.6-177.9-76.1-65.8000115.7T26T26-H30 PolarHBondContact O-CD2 3.26Å; T26-H30 VanDerWaalsContact O-CD2 3.28Å; T26-H30 PolarHBondContact O-N 3Å
31N51.8Low55.7Low131 Ų131138 Ų13870%0.70170%0.702SS**  trans-121.939.2-178.1-152.611.7000114.9
32S53.5Low55Low106 Ų106138.6 Ų138.674%0.74170%0.704SS**  trans-123.484.9159.555.90000109.7
33N47.4Very low54.4Low131 Ų131140.2 Ų140.270%0.70171%0.711SS**  trans-67.3138.6168.4-108.6-44.3000110.3
34F53.9Low53.9Low192 Ų192139.2 Ų139.284%0.84272%0.715SS**  trans52.393.6152.7-78.3-95.4000118.6
35K42.5Very low53.4Low203 Ų203138.7 Ų138.788%0.88371%0.713SS**  trans-138.2122.7142.3-148.9171-174.8-179.50108.5G37K35-G37 PolarHBondContact O-N 2.74Å
36A54.1Low52.9Low115 Ų115141.1 Ų141.195%0.9572%0.722SS**  trans-55.9118.4178.600000110.3
37G46.2Very low52.5Low64 Ų64144.6 Ų144.666%0.6673%0.734SS**SBendtrans170.5113.4-179.400000109.3K35K35-G37 PolarHBondContact O-N 2.74Å
38Y51.3Low52.2Low223 Ų223147.1 Ų147.188%0.87574%0.739SS**  trans22.698163.4-138.8-95.7000116P40Y38-P40 VanDerWaalsContact O-CD 3.23Å; Y38-P40 WeakPolarHBondContact O-CD 3.44Å
39V54.8Low51.9Low123 Ų123144 Ų14475%0.74574%0.735SS**  trans-72.9114162.8179.80000106.2I41V39-I41 PolarHBondContact O-N 2.86Å
40P54.8Low51.7Low93 Ų93140.1 Ų140.160%0.60474%0.736SS**  trans-62.7114.9171.126.4-31.1000107.1Y38 E42Y38-P40 VanDerWaalsContact O-CD 3.23Å; Y38-P40 WeakPolarHBondContact O-CD 3.44Å; P40-E42 VanDerWaalsContact C-N 3.27Å; P40-E42 PolarHBondContact O-N 3.43Å
41I55.4Low51.6Low129 Ų129138.6 Ų138.666%0.66273%0.732SS**  trans-71.295.6167.5-61.2169.4000104.9V39 E43V39-I41 PolarHBondContact O-N 2.86Å; I41-E43 VanDerWaalsContact C-N 3.32Å; I41-E43 PolarHBondContact O-N 3.06Å
42E54.2Low52Low129 Ų129143.3 Ų143.360%0.60374%0.74SS**  trans-63.797.8164-72179176.900107.5P40 E44 R45P40-E42 VanDerWaalsContact C-N 3.27Å; P40-E42 PolarHBondContact O-N 3.43Å; E42-E44 PolarHBondContact O-N 2.67Å; E42-R45 PolarHBondContact O-N 3.47Å
43E54.5Low52.1Low145 Ų145140 Ų14068%0.67872%0.723SS**Hα-helixtrans-55.7-24.1177.9-66.4-172.5161.900112.1I41 R45 L46 H47I41-E43 VanDerWaalsContact C-N 3.32Å; I41-E43 PolarHBondContact O-N 3.06Å; E43-R45 PolarHBondContact O-N 2.71Å; E43-L46 PolarHBondContact O-N 3.5Å; E43-L46 VanDerWaalsContact O-N 3.16Å; E43-H47 PolarHBondContact O-CD2 2.85Å; E43-H47 VanDerWaalsContact O-CD2 3.29Å; E43-H47 PolarHBondContact O-N 3.29Å
44E54.4Low52.7Low176 Ų176144.8 Ų144.882%0.82273%0.731SS**Hα-helixtrans-61.4-24.3173.9-70.5-165.716400113.9E42E42-E44 PolarHBondContact O-N 2.67Å
45R50.5Low53.1Low194 Ų194142.2 Ų142.273%0.73272%0.719SS**Hα-helixtrans-87.2-20.2175.8-80.7-146.5174.2-165.12.2114.2E42 E43 K48E42-R45 PolarHBondContact O-N 3.47Å; E43-R45 PolarHBondContact O-N 2.71Å; R45-K48 PolarHBondContact O-N 2.02Å
46L49.6Very low54.2Low130 Ų130134 Ų13468%0.68169%0.692SS**Hα-helixtrans-76.3-26174.5-11578.7000112.4E43 K48E43-L46 PolarHBondContact O-N 3.5Å; E43-L46 VanDerWaalsContact O-N 3.16Å; L46-K48 PolarHBondContact O-N 3.22Å
47H50.2Low55.1Low140 Ų140134.1 Ų134.165%0.64868%0.677SS**THydrogen-bonded Turntrans-75.35173.4-71.7-67.3000114.4E43E43-H47 PolarHBondContact O-CD2 2.85Å; E43-H47 VanDerWaalsContact O-CD2 3.29Å; E43-H47 PolarHBondContact O-N 3.29Å
48K49Very low56.6Low174 Ų174137.1 Ų137.176%0.75768%0.675SS**THydrogen-bonded Turntrans-102.329.5-179.8-127.2175.5-170.8173.30113.9R45 L46 G50R45-K48 PolarHBondContact O-N 2.02Å; L46-K48 PolarHBondContact O-N 3.22Å; K48-G50 VanDerWaalsContact C-N 3.34Å; K48-G50 PolarHBondContact O-N 2.95Å
49T50Low58Low116 Ų116128.8 Ų128.871%0.71265%0.653SS**SBendtrans-67.8100153.347.20000107.5L51T49-L51 VanDerWaalsContact C-N 3.26Å; T49-L51 PolarHBondContact O-N 2.81Å
50G51.7Low59.5Low70 Ų70127 Ų12772%0.72264%0.641SS**SBendtrans-66.166.9-167.300000115.7K48K48-G50 VanDerWaalsContact C-N 3.34Å; K48-G50 PolarHBondContact O-N 2.95Å
51L53.3Low60.9Low127 Ų127126 Ų12667%0.66564%0.637SS**  trans-122.76.8163.9-98.498.4000113.3T49 K55T49-L51 VanDerWaalsContact C-N 3.26Å; T49-L51 PolarHBondContact O-N 2.81Å; L51-K55 HydrophobicContact CD2-CD 4.38Å; L51-K55 HydrophobicContact CG-CD 4.16Å
52R60Low62.5Low229 Ų229124.7 Ų124.786%0.86463%0.629SS**SBendtrans-116.779.2-168.1-161.6171.6-177.6163.1-1.3113
53G55.7Low64.3Low36 Ų36123.7 Ų123.737%0.37163%0.627SS.*SBendtrans166.7-74.2169.100000112G56 N57G53-G56 PolarHBondContact O-N 2.8Å; G53-N57 WeakPolarHBondContact O-CB 3.21Å; G53-N57 PolarHBondContact O-N 2.81Å; G53-N57 PolarHBondContact O-OD1 3.09Å
54R61.7Low66.2Low233 Ų233120.4 Ų120.488%0.87962%0.617SS**Hα-helixtrans-72.8-37.4-176.2-163.6170.7174.1173.3-2.5113.7M58R54-M58 WeakPolarHBondContact O-CG 3.45Å; R54-M58 PolarHBondContact O-N 3Å
55K60.7Low67.9Low137 Ų137116.7 Ų116.760%0.59660%0.602SS**Hα-helixtrans-75.8-33.5173.2-70.7-179.6177.4178.70112.4L51 M58 A59L51-K55 HydrophobicContact CD2-CD 4.38Å; L51-K55 HydrophobicContact CG-CD 4.16Å; K55-M58 PolarHBondContact O-N 3.11Å; K55-A59 PolarHBondContact O-N 2.89Å
56G66.6Low70Confident30 Ų30112.4 Ų112.431%0.30959%0.593SS.*Hα-helixtrans-64.3-44.3172.800000112.2G53 M58 A59 V60G53-G56 PolarHBondContact O-N 2.8Å; G56-M58 VanDerWaalsContact C-N 3.31Å; G56-M58 PolarHBondContact O-N 3.47Å; G56-A59 WeakPolarHBondContact O-CB 3.17Å; G56-A59 PolarHBondContact O-N 2.88Å; G56-A59 VanDerWaalsContact O-N 3.14Å; G56-V60 WeakPolarHBondContact O-CG2 3.45Å; G56-V60 PolarHBondContact O-N 2.84Å
57N72Confident72.2Confident119 Ų119112.4 Ų112.464%0.63659%0.588SS**Hα-helixtrans-65-33.4174.6-74.613.8000112.6G53 C61G53-N57 WeakPolarHBondContact O-CB 3.21Å; G53-N57 PolarHBondContact O-N 2.81Å; G53-N57 PolarHBondContact O-OD1 3.09Å; N57-C61 VanDerWaalsContact O-CB 3.25Å; N57-C61 WeakPolarHBondContact O-CB 3.21Å; N57-C61 PolarHBondContact O-N 2.86Å
58M78.1Confident74.3Confident127 Ų127110.2 Ų110.263%0.62658%0.58SS**Hα-helixtrans-67-41170.8-76.3-66.4-109.800111.8R54 K55 G56 C61 I62R54-M58 WeakPolarHBondContact O-CG 3.45Å; R54-M58 PolarHBondContact O-N 3Å; K55-M58 PolarHBondContact O-N 3.11Å; G56-M58 VanDerWaalsContact C-N 3.31Å; G56-M58 PolarHBondContact O-N 3.47Å; M58-C61 WeakPolarHBondContact O-CB 3.38Å; M58-C61 PolarHBondContact O-N 2.88Å; M58-I62 VanDerWaalsContact O-CG1 3.26Å; M58-I62 WeakPolarHBondContact O-CG1 2.99Å; M58-I62 PolarHBondContact O-N 3.2Å
59A81.1Confident76.5Confident48 Ų48105.9 Ų105.940%0.39757%0.565SS.*Hα-helixtrans-63.3-42.4174.600000111.8K55 G56 I62 I63K55-A59 PolarHBondContact O-N 2.89Å; G56-A59 WeakPolarHBondContact O-CB 3.17Å; G56-A59 PolarHBondContact O-N 2.88Å; G56-A59 VanDerWaalsContact O-N 3.14Å; A59-I62 PolarHBondContact O-N 3.43Å; A59-I63 VanDerWaalsContact O-CG1 3.23Å; A59-I63 WeakPolarHBondContact O-CG1 3.44Å; A59-I63 PolarHBondContact O-N 3.39Å
60V85.5Confident78.7Confident84 Ų84102.9 Ų102.951%0.50955%0.552SS.*Hα-helixtrans-63.6-42.7174.2173.60000110.9G56 I62 I63 V64G56-V60 WeakPolarHBondContact O-CG2 3.45Å; G56-V60 PolarHBondContact O-N 2.84Å; V60-I62 VanDerWaalsContact C-N 3.34Å; V60-I62 PolarHBondContact O-N 2.95Å; V60-I63 PolarHBondContact O-N 2.02Å; V60-V64 HydrophobicContact CG1-CG2 4.34Å; V60-V64 VanDerWaalsContact O-CG2 3.26Å; V60-V64 WeakPolarHBondContact O-CG2 3.4Å; V60-V64 PolarHBondContact O-N 3.08Å
61C85.7Confident80.8Confident74 Ų74102.6 Ų102.650%0.553%0.534SS..Hα-helixtrans-59.6-43.9175-172.30000111.7N57 M58 V64 L65N57-C61 VanDerWaalsContact O-CB 3.25Å; N57-C61 WeakPolarHBondContact O-CB 3.21Å; N57-C61 PolarHBondContact O-N 2.86Å; M58-C61 WeakPolarHBondContact O-CB 3.38Å; M58-C61 PolarHBondContact O-N 2.88Å; C61-V64 PolarHBondContact O-N 3.29Å; C61-L65 WeakPolarHBondContact O-CB 3.44Å; C61-L65 PolarHBondContact O-N 3.42Å
62I89.1Confident82.8Confident100 Ų100101 Ų10151%0.51353%0.525SS..Hα-helixtrans-63.4-42.6175.2-68.9165.2000110.9M58 A59 V60 L65 L66M58-I62 VanDerWaalsContact O-CG1 3.26Å; M58-I62 WeakPolarHBondContact O-CG1 2.99Å; M58-I62 PolarHBondContact O-N 3.2Å; A59-I62 PolarHBondContact O-N 3.43Å; V60-I62 VanDerWaalsContact C-N 3.34Å; V60-I62 PolarHBondContact O-N 2.95Å; I62-L65 PolarHBondContact O-N 2.83Å; I62-L66 HydrophobicContact CG2-CD1 4.03Å; I62-L66 HydrophobicContact CG2-CG 4.35Å; I62-L66 WeakPolarHBondContact O-CB 3.36Å; I62-L66 VanDerWaalsContact O-CG 3.32Å; I62-L66 WeakPolarHBondContact O-CG 3.49Å; I62-L66 PolarHBondContact O-N 3.25Å
63I91.8Very high84.5Confident109 Ų10994.3 Ų94.356%0.55951%0.506SS*.Hα-helixtrans-62.4-44.5176.8-70163.9000110.9A59 V60 L65 L66 F67A59-I63 VanDerWaalsContact O-CG1 3.23Å; A59-I63 WeakPolarHBondContact O-CG1 3.44Å; A59-I63 PolarHBondContact O-N 3.39Å; V60-I63 PolarHBondContact O-N 2.02Å; I63-L65 VanDerWaalsContact C-N 3.32Å; I63-L65 PolarHBondContact O-N 3.15Å; I63-L66 PolarHBondContact O-N 3.27Å; I63-F67 WeakPolarHBondContact O-CB 3.43Å; I63-F67 PolarHBondContact O-N 3.39Å
64V92.9Very high86.3Confident75 Ų7597.1 Ų97.146%0.45551%0.513SS..Hα-helixtrans-62.7-41.2175.9174.50000110.9V60 C61 F67 L68V60-V64 HydrophobicContact CG1-CG2 4.34Å; V60-V64 VanDerWaalsContact O-CG2 3.26Å; V60-V64 WeakPolarHBondContact O-CG2 3.4Å; V60-V64 PolarHBondContact O-N 3.08Å; C61-V64 PolarHBondContact O-N 3.29Å; V64-F67 PolarHBondContact O-N 3.26Å; V64-L68 HydrophobicContact CG1-CD1 4.28Å; V64-L68 HydrophobicContact CG1-CG 4.5Å; V64-L68 WeakPolarHBondContact O-CG 3.36Å; V64-L68 PolarHBondContact O-N 3.28Å
65L91.7Very high87.9Confident99 Ų9990.8 Ų90.852%0.51850%0.495SS..Hα-helixtrans-66.6-41.2178.3-169145000111.9C61 I62 I63 F67 L68 L69C61-L65 WeakPolarHBondContact O-CB 3.44Å; C61-L65 PolarHBondContact O-N 3.42Å; I62-L65 PolarHBondContact O-N 2.83Å; I63-L65 VanDerWaalsContact C-N 3.32Å; I63-L65 PolarHBondContact O-N 3.15Å; L65-F67 VanDerWaalsContact C-N 3.33Å; L65-L68 PolarHBondContact O-N 2.85Å; L65-L69 HydrophobicContact CD2-CD1 3.95Å; L65-L69 WeakPolarHBondContact O-CB 3.28Å; L65-L69 PolarHBondContact O-N 3.25Å
66L93.7Very high89.5Confident103 Ų10388.3 Ų88.354%0.53949%0.487SS..Hα-helixtrans-63.7-38.9172.5-73.4174000111.8I62 I63 L69 A70I62-L66 HydrophobicContact CG2-CD1 4.03Å; I62-L66 HydrophobicContact CG2-CG 4.35Å; I62-L66 WeakPolarHBondContact O-CB 3.36Å; I62-L66 VanDerWaalsContact O-CG 3.32Å; I62-L66 WeakPolarHBondContact O-CG 3.49Å; I62-L66 PolarHBondContact O-N 3.25Å; I63-L66 PolarHBondContact O-N 3.27Å; L66-L69 WeakPolarHBondContact O-CB 2.92Å; L66-L69 PolarHBondContact O-N 2.97Å; L66-A70 WeakPolarHBondContact O-CB 3.12Å; L66-A70 PolarHBondContact O-N 2.59Å
67F95.1Very high90.6Very high131 Ų13191.1 Ų91.158%0.57550%0.499SS*.Hα-helixtrans-66.5-41.3175.8-176.8-105.2000111.9I63 V64 L65 A70 L71I63-F67 WeakPolarHBondContact O-CB 3.43Å; I63-F67 PolarHBondContact O-N 3.39Å; V64-F67 PolarHBondContact O-N 3.26Å; L65-F67 VanDerWaalsContact C-N 3.33Å; F67-A70 PolarHBondContact O-N 3.44Å; F67-L71 HydrophobicContact CD1-CD1 3.8Å; F67-L71 HydrophobicContact CD1-CG 4.32Å; F67-L71 HydrophobicContact CE1-CD1 3.37Å; F67-L71 HydrophobicContact CE1-CG 3.98Å; F67-L71 HydrophobicContact CZ-CD1 3.94Å; F67-L71 HydrophobicContact CZ-CD2 4.36Å; F67-L71 HydrophobicContact CZ-CG 4.13Å; F67-L71 WeakPolarHBondContact O-CB 3.26Å; F67-L71 WeakPolarHBondContact O-CG 3.49Å; F67-L71 PolarHBondContact O-N 3.22Å
68L95.1Very high91.4Very high93 Ų9389.4 Ų89.449%0.48749%0.489SS..Hα-helixtrans-63.3-42.5173-74174.1000111.6V64 L65 A70 L71 I72V64-L68 HydrophobicContact CG1-CD1 4.28Å; V64-L68 HydrophobicContact CG1-CG 4.5Å; V64-L68 WeakPolarHBondContact O-CG 3.36Å; V64-L68 PolarHBondContact O-N 3.28Å; L65-L68 PolarHBondContact O-N 2.85Å; L68-A70 VanDerWaalsContact C-N 3.33Å; L68-A70 PolarHBondContact O-N 2.8Å; L68-L71 PolarHBondContact O-N 3.04Å; L68-I72 VanDerWaalsContact O-CG1 3.28Å; L68-I72 WeakPolarHBondContact O-CG1 3.02Å; L68-I72 PolarHBondContact O-N 3.18Å
69L95.1Very high92Very high83 Ų8387 Ų8744%0.43548%0.481SS..Hα-helixtrans-59.2-44.6172.8-98165.7000111.7L65 L66 I72 N73L65-L69 HydrophobicContact CD2-CD1 3.95Å; L65-L69 WeakPolarHBondContact O-CB 3.28Å; L65-L69 PolarHBondContact O-N 3.25Å; L66-L69 WeakPolarHBondContact O-CB 2.92Å; L66-L69 PolarHBondContact O-N 2.97Å; L69-I72 PolarHBondContact O-N 2.8Å; L69-N73 WeakPolarHBondContact O-CB 2.99Å; L69-N73 VanDerWaalsContact O-CG 3.28Å; L69-N73 PolarHBondContact O-N 2.71Å; L69-N73 PolarHBondContact O-ND2 3.35Å
70A95.6Very high92.2Very high54 Ų5488.9 Ų88.945%0.44648%0.484SS..Hα-helixtrans-63.4-40.9176.500000111.8L66 F67 L68 N73 L74L66-A70 WeakPolarHBondContact O-CB 3.12Å; L66-A70 PolarHBondContact O-N 2.59Å; F67-A70 PolarHBondContact O-N 3.44Å; L68-A70 VanDerWaalsContact C-N 3.33Å; L68-A70 PolarHBondContact O-N 2.8Å; A70-N73 PolarHBondContact O-N 2.76Å; A70-L74 VanDerWaalsContact O-CB 3.31Å; A70-L74 WeakPolarHBondContact O-CB 3.23Å; A70-L74 PolarHBondContact O-N 2.77Å
71L96.3Very high92.1Very high64 Ų6491.4 Ų91.434%0.33548%0.484SS..Hα-helixtrans-64.7-43.6175.2-80176.2000112.2F67 L68 N73 L74 I75F67-L71 HydrophobicContact CD1-CD1 3.8Å; F67-L71 HydrophobicContact CD1-CG 4.32Å; F67-L71 HydrophobicContact CE1-CD1 3.37Å; F67-L71 HydrophobicContact CE1-CG 3.98Å; F67-L71 HydrophobicContact CZ-CD1 3.94Å; F67-L71 HydrophobicContact CZ-CD2 4.36Å; F67-L71 HydrophobicContact CZ-CG 4.13Å; F67-L71 WeakPolarHBondContact O-CB 3.26Å; F67-L71 WeakPolarHBondContact O-CG 3.49Å; F67-L71 PolarHBondContact O-N 3.22Å; L68-L71 PolarHBondContact O-N 3.04Å; L71-N73 VanDerWaalsContact C-N 3.34Å; L71-L74 WeakPolarHBondContact O-CB 3.25Å; L71-L74 PolarHBondContact O-N 3.43Å; L71-I75 VanDerWaalsContact O-CG1 3.25Å; L71-I75 WeakPolarHBondContact O-CG1 2.89Å; L71-I75 PolarHBondContact O-N 3.39Å
72I96.2Very high91.8Very high92 Ų9292.7 Ų92.747%0.47249%0.49SS..Hα-helixtrans-61.7-46.6176.1-69.8165.6000109.8L68 L69 L74 I75 I76L68-I72 VanDerWaalsContact O-CG1 3.28Å; L68-I72 WeakPolarHBondContact O-CG1 3.02Å; L68-I72 PolarHBondContact O-N 3.18Å; L69-I72 PolarHBondContact O-N 2.8Å; I72-L74 VanDerWaalsContact C-N 3.33Å; I72-L74 PolarHBondContact O-N 3.41Å; I72-I75 PolarHBondContact O-N 3.45Å; I72-I76 HydrophobicContact CG2-CD1 3.77Å; I72-I76 HydrophobicContact CG2-CG1 4.42Å; I72-I76 VanDerWaalsContact O-CG1 3.28Å; I72-I76 WeakPolarHBondContact O-CG1 3.3Å; I72-I76 PolarHBondContact O-N 2.99Å
73N95.3Very high91.4Very high89 Ų8993.1 Ų93.148%0.47650%0.497SS..Hα-helixtrans-61.3-42176.7-73.8-26.4000111.6L69 A70 L71 I76 T77L69-N73 WeakPolarHBondContact O-CB 2.99Å; L69-N73 VanDerWaalsContact O-CG 3.28Å; L69-N73 PolarHBondContact O-N 2.71Å; L69-N73 PolarHBondContact O-ND2 3.35Å; A70-N73 PolarHBondContact O-N 2.76Å; L71-N73 VanDerWaalsContact C-N 3.34Å; N73-I76 PolarHBondContact O-N 3.5Å; N73-T77 PolarHBondContact O-N 2.82Å; N73-T77 PolarHBondContact O-OG1 3.36Å
74L94.3Very high90.6Very high96 Ų9691.5 Ų91.550%0.50349%0.489SS..Hα-helixtrans-59.6-47.4174.8-178.867.5000111.5A70 L71 I72 I76 T77 L78A70-L74 VanDerWaalsContact O-CB 3.31Å; A70-L74 WeakPolarHBondContact O-CB 3.23Å; A70-L74 PolarHBondContact O-N 2.77Å; L71-L74 WeakPolarHBondContact O-CB 3.25Å; L71-L74 PolarHBondContact O-N 3.43Å; I72-L74 VanDerWaalsContact C-N 3.33Å; I72-L74 PolarHBondContact O-N 3.41Å; L74-I76 VanDerWaalsContact C-N 3.35Å; L74-I76 PolarHBondContact O-N 3.16Å; L74-T77 PolarHBondContact O-N 3.39Å; L74-L78 HydrophobicContact CG-CD1 4.35Å; L74-L78 WeakPolarHBondContact O-CG 3.33Å; L74-L78 PolarHBondContact O-N 2.68Å
75I94.8Very high89.7Confident100 Ų10094.8 Ų94.851%0.51349%0.493SS..Hα-helixtrans-61-45.9177.6-68.7166.1000110.1L71 I72 T77 L78 V79L71-I75 VanDerWaalsContact O-CG1 3.25Å; L71-I75 WeakPolarHBondContact O-CG1 2.89Å; L71-I75 PolarHBondContact O-N 3.39Å; I72-I75 PolarHBondContact O-N 3.45Å; I75-T77 VanDerWaalsContact C-N 3.33Å; I75-T77 PolarHBondContact O-N 3.36Å; I75-L78 PolarHBondContact O-N 3.19Å; I75-V79 HydrophobicContact CG2-CG2 4.3Å; I75-V79 VanDerWaalsContact O-CG2 3.29Å; I75-V79 WeakPolarHBondContact O-CG2 3.36Å; I75-V79 PolarHBondContact O-N 2.97Å
76I93.3Very high88.8Confident84 Ų8493.5 Ų93.543%0.43149%0.486SS..Hα-helixtrans-59-45.6176.8-68.7166.8000110.4I72 N73 L74 L78 V79 I80I72-I76 HydrophobicContact CG2-CD1 3.77Å; I72-I76 HydrophobicContact CG2-CG1 4.42Å; I72-I76 VanDerWaalsContact O-CG1 3.28Å; I72-I76 WeakPolarHBondContact O-CG1 3.3Å; I72-I76 PolarHBondContact O-N 2.99Å; N73-I76 PolarHBondContact O-N 3.5Å; L74-I76 VanDerWaalsContact C-N 3.35Å; L74-I76 PolarHBondContact O-N 3.16Å; I76-L78 PolarHBondContact O-N 2.7Å; I76-V79 PolarHBondContact O-N 3.27Å; I76-I80 HydrophobicContact CG2-CD1 3.8Å; I76-I80 HydrophobicContact CG2-CG1 4.4Å; I76-I80 VanDerWaalsContact O-CG1 3.29Å; I76-I80 WeakPolarHBondContact O-CG1 3.36Å; I76-I80 PolarHBondContact O-N 2.82Å
77T90.1Very high87.5Confident89 Ų8989.9 Ų89.955%0.54647%0.473SS..Hα-helixtrans-62.4-41.6177.6-52.20000111.9N73 L74 I75 I80 W81N73-T77 PolarHBondContact O-N 2.82Å; N73-T77 PolarHBondContact O-OG1 3.36Å; L74-T77 PolarHBondContact O-N 3.39Å; I75-T77 VanDerWaalsContact C-N 3.33Å; I75-T77 PolarHBondContact O-N 3.36Å; T77-I80 PolarHBondContact O-N 3.21Å; T77-W81 WeakPolarHBondContact O-CB 3.23Å; T77-W81 PolarHBondContact O-N 2.84Å
78L89Confident85.9Confident83 Ų8390.6 Ų90.644%0.43549%0.491SS..Hα-helixtrans-64.4-41.1175.2-70.6176.8000112.1L74 I75 I76 W81 T82L74-L78 HydrophobicContact CG-CD1 4.35Å; L74-L78 WeakPolarHBondContact O-CG 3.33Å; L74-L78 PolarHBondContact O-N 2.68Å; I75-L78 PolarHBondContact O-N 3.19Å; I76-L78 PolarHBondContact O-N 2.7Å; L78-W81 HydrophobicContact CD2-CE3 4.03Å; L78-W81 HydrophobicContact CD2-CZ3 4.49Å; L78-W81 PolarHBondContact O-N 3.42Å; L78-T82 WeakPolarHBondContact O-CG2 3.41Å; L78-T82 PolarHBondContact O-N 2.85Å; L78-T82 PolarHBondContact O-OG1 2.54Å
79V89.9Confident84.2Confident77 Ų7792 Ų9247%0.46751%0.508SS..Hα-helixtrans-62.3-46.3174.9171.70000110.5I75 I76 W81 T82 V83I75-V79 HydrophobicContact CG2-CG2 4.3Å; I75-V79 VanDerWaalsContact O-CG2 3.29Å; I75-V79 WeakPolarHBondContact O-CG2 3.36Å; I75-V79 PolarHBondContact O-N 2.97Å; I76-V79 PolarHBondContact O-N 3.27Å; V79-W81 VanDerWaalsContact C-N 3.29Å; V79-W81 PolarHBondContact O-N 3.21Å; V79-T82 WeakPolarHBondContact CA-OG1 3.47Å; V79-T82 PolarHBondContact O-N 3.42Å; V79-T82 PolarHBondContact O-OG1 2.99Å; V79-V83 HydrophobicContact CG1-CG2 4.16Å; V79-V83 WeakPolarHBondContact O-CB 3.3Å; V79-V83 WeakPolarHBondContact O-CG2 3.37Å; V79-V83 PolarHBondContact O-N 2.81Å
80I86.1Confident83Confident87 Ų8789.5 Ų89.545%0.44650%0.503SS..Hα-helixtrans-59.2-44.3175.4-69.1168.4000110.5I76 T77 T82 V83 I84I76-I80 HydrophobicContact CG2-CD1 3.8Å; I76-I80 HydrophobicContact CG2-CG1 4.4Å; I76-I80 VanDerWaalsContact O-CG1 3.29Å; I76-I80 WeakPolarHBondContact O-CG1 3.36Å; I76-I80 PolarHBondContact O-N 2.82Å; T77-I80 PolarHBondContact O-N 3.21Å; I80-T82 PolarHBondContact O-N 2.8Å; I80-V83 PolarHBondContact O-N 2.8Å; I80-I84 HydrophobicContact CG2-CD1 3.53Å; I80-I84 HydrophobicContact CG2-CG1 4.23Å; I80-I84 WeakPolarHBondContact O-CB 3.44Å; I80-I84 WeakPolarHBondContact O-CG1 3.29Å; I80-I84 PolarHBondContact O-N 3.13Å
81W83Confident82Confident138 Ų13888.7 Ų88.752%0.52349%0.494SS..Hα-helixtrans-60.6-45.6-179.4-166.29000112.1T77 L78 V79 R85 I86T77-W81 WeakPolarHBondContact O-CB 3.23Å; T77-W81 PolarHBondContact O-N 2.84Å; L78-W81 HydrophobicContact CD2-CE3 4.03Å; L78-W81 HydrophobicContact CD2-CZ3 4.49Å; L78-W81 PolarHBondContact O-N 3.42Å; V79-W81 VanDerWaalsContact C-N 3.29Å; V79-W81 PolarHBondContact O-N 3.21Å; W81-R85 PolarHBondContact O-N 2.89Å; W81-R85 VanDerWaalsContact O-N 3.16Å; W81-I86 VanDerWaalsContact CD1-O 3.29Å; W81-I86 PolarHBondContact NE1-O 3.2Å; W81-I86 PolarHBondContact O-N 2.91Å
82T79.8Confident80.9Confident101 Ų10189.4 Ų89.462%0.6250%0.498SS*.Hα-helixtrans-68.2-39.6177.650.40000113.1L78 V79 I80 R85L78-T82 WeakPolarHBondContact O-CG2 3.41Å; L78-T82 PolarHBondContact O-N 2.85Å; L78-T82 PolarHBondContact O-OG1 2.54Å; V79-T82 WeakPolarHBondContact CA-OG1 3.47Å; V79-T82 PolarHBondContact O-N 3.42Å; V79-T82 PolarHBondContact O-OG1 2.99Å; I80-T82 PolarHBondContact O-N 2.8Å; T82-R85 PolarHBondContact O-N 3.1Å
83V80.2Confident79.9Confident109 Ų10986.8 Ų86.866%0.66149%0.488SS*.Hα-helixtrans-70.7-43.4-179.81710000111.8V79 I80 R85V79-V83 HydrophobicContact CG1-CG2 4.16Å; V79-V83 WeakPolarHBondContact O-CB 3.3Å; V79-V83 WeakPolarHBondContact O-CG2 3.37Å; V79-V83 PolarHBondContact O-N 2.81Å; I80-V83 PolarHBondContact O-N 2.8Å; V83-R85 PolarHBondContact O-N 3.1Å
84I75.2Confident79.3Confident75 Ų7585.4 Ų85.439%0.38548%0.48SS..Hα-helixtrans-74-13.7178.2-58.8177.5000111.2I80 I86I80-I84 HydrophobicContact CG2-CD1 3.53Å; I80-I84 HydrophobicContact CG2-CG1 4.23Å; I80-I84 WeakPolarHBondContact O-CB 3.44Å; I80-I84 WeakPolarHBondContact O-CG1 3.29Å; I80-I84 PolarHBondContact O-N 3.13Å; I84-I86 VanDerWaalsContact C-N 3.29Å; I84-I86 HydrophobicContact CB-CD1 4.11Å; I84-I86 HydrophobicContact CB-CG1 3.84Å; I84-I86 HydrophobicContact CG2-CD1 3.77Å; I84-I86 HydrophobicContact CG2-CG1 3.42Å; I84-I86 VanDerWaalsContact CG2-CG1 3.42Å; I84-I86 PolarHBondContact O-N 3.45Å
85R73.3Confident78.8Confident144 Ų14483.8 Ų83.854%0.54347%0.469SS..THydrogen-bonded Turntrans50.850.7-175.3-59.4-175-177.8-179.43111.2W81 T82 V83 G87 D92W81-R85 PolarHBondContact O-N 2.89Å; W81-R85 VanDerWaalsContact O-N 3.16Å; T82-R85 PolarHBondContact O-N 3.1Å; V83-R85 PolarHBondContact O-N 3.1Å; R85-G87 PolarHBondContact O-N 2.87Å; R85-D92 HydrophobicContact CB-CB 4.12Å; R85-D92 PolarHBondContact O-N 3.29Å
86I73.4Confident78.2Confident72 Ų7287 Ų8737%0.36948%0.48SS..EExtended strand (participates in β ladder)trans-78.7101.9173.3-52.4172.4000106.3W81 I84 G90W81-I86 VanDerWaalsContact CD1-O 3.29Å; W81-I86 PolarHBondContact NE1-O 3.2Å; W81-I86 PolarHBondContact O-N 2.91Å; I84-I86 VanDerWaalsContact C-N 3.29Å; I84-I86 HydrophobicContact CB-CD1 4.11Å; I84-I86 HydrophobicContact CB-CG1 3.84Å; I84-I86 HydrophobicContact CG2-CD1 3.77Å; I84-I86 HydrophobicContact CG2-CG1 3.42Å; I84-I86 VanDerWaalsContact CG2-CG1 3.42Å; I84-I86 PolarHBondContact O-N 3.45Å; I86-G90 CarbonylContact C-O 3.56Å; I86-G90 WeakPolarHBondContact CA-O 3.39Å
87G66.6Low77.5Confident26 Ų2688.2 Ų88.227%0.26848%0.484SS..EExtended strand (participates in β ladder)trans-79.6175.3172.600000112.1R85 S89 G90R85-G87 PolarHBondContact O-N 2.87Å; G87-S89 PolarHBondContact O-N 3.23Å; G87-S89 VanDerWaalsContact O-N 3.07Å; G87-G90 PolarHBondContact N-O 3Å; G87-G90 PolarHBondContact O-N 3.27Å
88P61.1Low76.9Confident146 Ų14693.6 Ų93.695%0.94850%0.503SS*.THydrogen-bonded Turntrans-55.1-22.8167.2-20.831.6000112.9
89S59.4Low76.5Confident122 Ų12294 Ų9485%0.85351%0.512SS*.THydrogen-bonded Turntrans-93.33.1-179.8-300000114G87G87-S89 PolarHBondContact O-N 3.23Å; G87-S89 VanDerWaalsContact O-N 3.07Å
90G70Confident75.9Confident32 Ų3293.7 Ų93.733%0.3353%0.525SS..EExtended strand (participates in β ladder)trans108.3-163.7-177.800000114.4I86 G87I86-G90 CarbonylContact C-O 3.56Å; I86-G90 WeakPolarHBondContact CA-O 3.39Å; G87-G90 PolarHBondContact N-O 3Å; G87-G90 PolarHBondContact O-N 3.27Å
91C75.6Confident75.6Confident36 Ų3694.2 Ų94.224%0.24353%0.528CS..EExtended strand (participates in β ladder)trans-81.5128.4179.3-177.70000111.2S93 I94C91-S93 VanDerWaalsContact C-N 3.31Å; C91-S93 PolarHBondContact O-N 2.82Å; C91-I94 WeakPolarHBondContact CB-O 3.28Å
92D73.2Confident75.6Confident80 Ų8091.6 Ų91.643%0.42852%0.524SS..SBendtrans-71.5-24.5-179.5-81.6-13.5000113.6R85 K105R85-D92 HydrophobicContact CB-CB 4.12Å; R85-D92 PolarHBondContact O-N 3.29Å; D92-K105 VanDerWaalsContact O-CB 3.22Å; D92-K105 WeakPolarHBondContact O-CB 3.5Å
93S75.2Confident75.8Confident37 Ų3791 Ų9126%0.25951%0.51SS..SBendtrans-96.7-32.5-171.1-58.90000113C91 K105C91-S93 VanDerWaalsContact C-N 3.31Å; C91-S93 PolarHBondContact O-N 2.82Å; S93-K105 PolarHBondContact O-N 3.26Å
94I81.6Confident76.1Confident60 Ų6089 Ų8931%0.30849%0.493SS..EExtended strand (participates in β ladder)trans-137.8137.4-170.7-59.8178.3000109.9C91 F96 L102 R103 F104C91-I94 WeakPolarHBondContact CB-O 3.28Å; I94-F96 HydrophobicContact CG2-CD2 4.33Å; I94-F96 HydrophobicContact CG2-CE2 3.86Å; I94-F96 HydrophobicContact CG2-CZ 4.14Å; I94-L102 HydrophobicContact CG2-CD1 3.36Å; I94-R103 CarbonylContact C-O 3.5Å; I94-R103 WeakPolarHBondContact CA-O 3.13Å; I94-F104 HydrophobicContact CD1-CD1 4.42Å; I94-F104 HydrophobicContact CD1-CE1 4.04Å; I94-F104 HydrophobicContact CG1-CD1 3.97Å; I94-F104 HydrophobicContact CG1-CE1 4.07Å
95E83.3Confident76.4Confident61 Ų6189.4 Ų89.429%0.28549%0.492SS..EExtended strand (participates in β ladder)trans-130.2125.4176.1174.4169-104.500109.6R103 K105E95-R103 HydrophobicContact CB-CB 4.26Å; E95-R103 PolarHBondContact N-O 3.02Å; E95-R103 PolarHBondContact O-N 2.82Å; E95-R103 WeakPolarHBondContact OE2-CD 3.35Å; E95-R103 IonicContact OE2-CZ 3.59Å; E95-R103 IonicContact OE2-NE 2.7Å; E95-R103 IonicContact OE2-NH1 3.19Å; E95-R103 PolarHBondContact OE2-NH1 3.33Å; E95-K105 VanDerWaalsContact CD-NZ 3.33Å; E95-K105 WeakPolarHBondContact OE1-CE 3.11Å; E95-K105 IonicContact OE1-NZ 2.85Å; E95-K105 PolarHBondContact OE1-NZ 3.45Å; E95-K105 WeakPolarHBondContact OE2-CE 3.45Å; E95-K105 IonicContact OE2-NZ 3.62Å
96F82.4Confident76.8Confident168 Ų16886.7 Ų86.774%0.73749%0.485SS*.EExtended strand (participates in β ladder)trans-95116.4172.1-64.9-87.5000107.8I94 L102I94-F96 HydrophobicContact CG2-CD2 4.33Å; I94-F96 HydrophobicContact CG2-CE2 3.86Å; I94-F96 HydrophobicContact CG2-CZ 4.14Å; F96-L102 HydrophobicContact CD1-CD1 3.82Å; F96-L102 HydrophobicContact CE1-CD1 3.49Å; F96-L102 VanDerWaalsContact CE1-CD1 3.49Å; F96-L102 HydrophobicContact CE2-CD1 4.47Å; F96-L102 HydrophobicContact CG-CD1 4.46Å; F96-L102 HydrophobicContact CZ-CD1 3.85Å
97H80.1Confident77.2Confident109 Ų10993.8 Ų93.851%0.50551%0.513SS..  trans-83.3148.7174.5-158.5-101.8000110S99 G100 L101H97-S99 WeakPolarHBondContact ND1-CB 3.48Å; H97-S99 PolarHBondContact ND1-N 2.85Å; H97-S99 PolarHBondContact ND1-OG 3.47Å; H97-S99 PolarHBondContact O-N 2.81Å; H97-S99 VanDerWaalsContact O-N 3.1Å; H97-G100 PolarHBondContact O-N 2.89Å; H97-L101 HydrophobicContact CB-CB 3.81Å; H97-L101 PolarHBondContact N-O 2.84Å
98E77.4Confident77.8Confident203 Ų20395.3 Ų95.395%0.94952%0.524SS*.THydrogen-bonded Turntrans-58.5-26.3177.4-66-174.3166.800112.8G100E98-G100 PolarHBondContact O-N 2.87Å; E98-G100 VanDerWaalsContact O-N 3.13Å
99S79.8Confident78.9Confident91 Ų9195.7 Ų95.764%0.63652%0.518SS*.THydrogen-bonded Turntrans-71.83.517469.50000114.3H97 L101H97-S99 WeakPolarHBondContact ND1-CB 3.48Å; H97-S99 PolarHBondContact ND1-N 2.85Å; H97-S99 PolarHBondContact ND1-OG 3.47Å; H97-S99 PolarHBondContact O-N 2.81Å; H97-S99 VanDerWaalsContact O-N 3.1Å; S99-L101 VanDerWaalsContact C-N 3.33Å
100G76.9Confident79.7Confident71 Ų7194.2 Ų94.273%0.73250%0.499SS*.SBendtrans7911.2-175.200000114.4H97 E98H97-G100 PolarHBondContact O-N 2.89Å; E98-G100 PolarHBondContact O-N 2.87Å; E98-G100 VanDerWaalsContact O-N 3.13Å
101L80.6Confident80.4Confident98 Ų9896.1 Ų96.151%0.51352%0.518SS..  trans-78.8125.8176.7-171.290.3000109.9H97 S99H97-L101 HydrophobicContact CB-CB 3.81Å; H97-L101 PolarHBondContact N-O 2.84Å; S99-L101 VanDerWaalsContact C-N 3.33Å
102L83.1Confident80.8Confident82 Ų8299.7 Ų99.743%0.42954%0.538SS..EExtended strand (participates in β ladder)trans-90.4116.8168.3-178.761.4000109.5I94 F96 F104I94-L102 HydrophobicContact CG2-CD1 3.36Å; F96-L102 HydrophobicContact CD1-CD1 3.82Å; F96-L102 HydrophobicContact CE1-CD1 3.49Å; F96-L102 VanDerWaalsContact CE1-CD1 3.49Å; F96-L102 HydrophobicContact CE2-CD1 4.47Å; F96-L102 HydrophobicContact CG-CD1 4.46Å; F96-L102 HydrophobicContact CZ-CD1 3.85Å; L102-F104 HydrophobicContact CD2-CE1 4.41Å; L102-F104 HydrophobicContact CD2-CE2 3.8Å; L102-F104 HydrophobicContact CD2-CZ 3.47Å; L102-F104 VanDerWaalsContact CD2-CZ 3.47Å; L102-F104 HydrophobicContact CG-CE2 3.84Å; L102-F104 HydrophobicContact CG-CZ 3.81Å
103R84.2Confident81.3Confident90 Ų9099.3 Ų99.334%0.3454%0.539SS..EExtended strand (participates in β ladder)trans-112.2127.8179.9-176.9-176.7-177.7-165.69.3111I94 E95I94-R103 CarbonylContact C-O 3.5Å; I94-R103 WeakPolarHBondContact CA-O 3.13Å; E95-R103 HydrophobicContact CB-CB 4.26Å; E95-R103 PolarHBondContact N-O 3.02Å; E95-R103 PolarHBondContact O-N 2.82Å; E95-R103 WeakPolarHBondContact OE2-CD 3.35Å; E95-R103 IonicContact OE2-CZ 3.59Å; E95-R103 IonicContact OE2-NE 2.7Å; E95-R103 IonicContact OE2-NH1 3.19Å; E95-R103 PolarHBondContact OE2-NH1 3.33Å
104F84.9Confident81.6Confident66 Ų66105.2 Ų105.229%0.28956%0.562SS.*EExtended strand (participates in β ladder)trans-94124.2170.6-59.9-83.7000109.7I94 L102 A108 M110I94-F104 HydrophobicContact CD1-CD1 4.42Å; I94-F104 HydrophobicContact CD1-CE1 4.04Å; I94-F104 HydrophobicContact CG1-CD1 3.97Å; I94-F104 HydrophobicContact CG1-CE1 4.07Å; L102-F104 HydrophobicContact CD2-CE1 4.41Å; L102-F104 HydrophobicContact CD2-CE2 3.8Å; L102-F104 HydrophobicContact CD2-CZ 3.47Å; L102-F104 VanDerWaalsContact CD2-CZ 3.47Å; L102-F104 HydrophobicContact CG-CE2 3.84Å; L102-F104 HydrophobicContact CG-CZ 3.81Å; F104-A108 HydrophobicContact CD1-CB 3.76Å; F104-A108 HydrophobicContact CE1-CB 4.24Å; F104-A108 HydrophobicContact CG-CB 4.29Å; F104-M110 HydrophobicContact CD2-CE 4.4Å; F104-M110 HydrophobicContact CE1-SD 4.12Å; F104-M110 HydrophobicContact CE2-CE 3.81Å; F104-M110 HydrophobicContact CE2-SD 3.58Å; F104-M110 VanDerWaalsContact CE2-SD 3.58Å; F104-M110 HydrophobicContact CZ-CE 4.17Å; F104-M110 HydrophobicContact CZ-CG 4.4Å; F104-M110 HydrophobicContact CZ-SD 3.32Å; F104-M110 WeakPolarHBondContact CZ-SD 3.1Å
105K82.5Confident81.4Confident83 Ų83106 Ų10636%0.36157%0.571SS.*SBendtrans-90.9-21.9178.2-72.4175.3178.3168.80112D92 S93 E95D92-K105 VanDerWaalsContact O-CB 3.22Å; D92-K105 WeakPolarHBondContact O-CB 3.5Å; S93-K105 PolarHBondContact O-N 3.26Å; E95-K105 VanDerWaalsContact CD-NZ 3.33Å; E95-K105 WeakPolarHBondContact OE1-CE 3.11Å; E95-K105 IonicContact OE1-NZ 2.85Å; E95-K105 PolarHBondContact OE1-NZ 3.45Å; E95-K105 WeakPolarHBondContact OE2-CE 3.45Å; E95-K105 IonicContact OE2-NZ 3.62Å
106Q81.1Confident80.8Confident88 Ų88110 Ų11041%0.41159%0.594SS.*SBendtrans-124.2170.8-179.7-61.5-17514.300111.3A108Q106-A108 PolarHBondContact O-N 3.27Å
107K81.4Confident79.9Confident220 Ų220110.5 Ų110.596%0.95760%0.598SS**  trans-60123.3171.8-66.2-177.4180-177.80108.8
108A80.6Confident79.2Confident59 Ų59114.3 Ų114.349%0.48861%0.613SS.*  trans-124.1135.2179.900000109.5F104 Q106F104-A108 HydrophobicContact CD1-CB 3.76Å; F104-A108 HydrophobicContact CE1-CB 4.24Å; F104-A108 HydrophobicContact CG-CB 4.29Å; Q106-A108 PolarHBondContact O-N 3.27Å
109D83Confident78.8Confident154 Ų154107.8 Ų107.882%0.82459%0.59SS**  trans-96113.9167.9-171.4-7.4000108G111D109-G111 PolarHBondContact OD1-N 2.86Å; D109-G111 VanDerWaalsContact OD1-N 3.13Å
110M77.6Confident78.7Confident91 Ų91109.6 Ų109.645%0.44860%0.597SS.*  trans-104.4-7.6-178.4-66.6-158.5-81.200112.9F104 V112 V113F104-M110 HydrophobicContact CD2-CE 4.4Å; F104-M110 HydrophobicContact CE1-SD 4.12Å; F104-M110 HydrophobicContact CE2-CE 3.81Å; F104-M110 HydrophobicContact CE2-SD 3.58Å; F104-M110 VanDerWaalsContact CE2-SD 3.58Å; F104-M110 HydrophobicContact CZ-CE 4.17Å; F104-M110 HydrophobicContact CZ-CG 4.4Å; F104-M110 HydrophobicContact CZ-SD 3.32Å; F104-M110 WeakPolarHBondContact CZ-SD 3.1Å; M110-V112 PolarHBondContact O-N 2.93Å; M110-V113 HydrophobicContact CB-CG2 3.65Å; M110-V113 HydrophobicContact CE-CG2 3.46Å; M110-V113 VanDerWaalsContact CE-CG2 3.46Å; M110-V113 HydrophobicContact CG-CG2 4.33Å; M110-V113 HydrophobicContact SD-CG2 3.8Å
111G83Confident79.1Confident71 Ų71110.6 Ų110.673%0.73259%0.589SS**SBendtrans57.7-92.7-170.700000112.3D109D109-G111 PolarHBondContact OD1-N 2.86Å; D109-G111 VanDerWaalsContact OD1-N 3.13Å
112V84.6Confident79.3Confident111 Ų111108.8 Ų108.867%0.67359%0.593SS**SBendtrans-114.4122.2179.4-173.60000110.1M110 H114M110-V112 PolarHBondContact O-N 2.93Å; V112-H114 VanDerWaalsContact CG1-NE2 3.29Å; V112-H114 WeakPolarHBondContact CG1-NE2 3.44Å
113V83.4Confident79.5Confident73 Ų73106.9 Ų106.944%0.44259%0.594SS.*  trans-102.8123.6174.9-176.20000108.7M110 P115M110-V113 HydrophobicContact CB-CG2 3.65Å; M110-V113 HydrophobicContact CE-CG2 3.46Å; M110-V113 VanDerWaalsContact CE-CG2 3.46Å; M110-V113 HydrophobicContact CG-CG2 4.33Å; M110-V113 HydrophobicContact SD-CG2 3.8Å; V113-P115 WeakPolarHBondContact O-CD 3.33Å
114H82.9Confident79.4Confident161 Ų161107.7 Ų107.775%0.74560%0.597SS**  trans-106.792.1171.6-66.5-73.5000109.4V112 L116V112-H114 VanDerWaalsContact CG1-NE2 3.29Å; V112-H114 WeakPolarHBondContact CG1-NE2 3.44Å; H114-L116 PolarHBondContact O-N 3Å
115P75.8Confident79.3Confident75 Ų75113.3 Ų113.349%0.48762%0.621SS.*PPolyproline II helixtrans-60.2130.7172.47-4.5000109.4V113V113-P115 WeakPolarHBondContact O-CD 3.33Å
116L70.7Confident79.4Confident147 Ų147116.6 Ų116.677%0.7764%0.642SS**PPolyproline II helixtrans-61.6165.4168.5-80.2144.2000110.2H114 K118 S119H114-L116 PolarHBondContact O-N 3Å; L116-K118 PolarHBondContact O-N 3.22Å; L116-S119 WeakPolarHBondContact O-CB 3.47Å; L116-S119 PolarHBondContact O-N 3.02Å; L116-S119 PolarHBondContact O-OG 2.77Å; L116-S119 VanDerWaalsContact O-OG 3.1Å
117H63.6Low79.6Confident177 Ų177117.9 Ų117.982%0.81965%0.649SS**THydrogen-bonded Turntrans-54.6126.1-172.3-163.942.8000111.7S119H117-S119 VanDerWaalsContact C-N 3.3Å; H117-S119 PolarHBondContact O-N 3.07Å
118K66.3Low79.6Confident189 Ų189114.7 Ų114.782%0.82264%0.642SS**THydrogen-bonded Turntrans67.314.9-175.1-53.4-178.7177.5-179.80116.3L116L116-K118 PolarHBondContact O-N 3.22Å
119S69.6Low79.9Confident66 Ų66115.9 Ų115.946%0.46264%0.64SS.*  trans-74.5136.1173.8-65.40000111.6L116 H117L116-S119 WeakPolarHBondContact O-CB 3.47Å; L116-S119 PolarHBondContact O-N 3.02Å; L116-S119 PolarHBondContact O-OG 2.77Å; L116-S119 VanDerWaalsContact O-OG 3.1Å; H117-S119 VanDerWaalsContact C-N 3.3Å; H117-S119 PolarHBondContact O-N 3.07Å
120T77.3Confident80.1Confident129 Ų129114 Ų11479%0.79163%0.634SS**  trans-103.6139.3177.353.50000110.4
121V84.2Confident80.6Confident93 Ų93113.6 Ų113.656%0.56463%0.632SS**  trans-105.9127.8168.9-1730000107.5L129V121-L129 HydrophobicContact CG1-CD2 3.83Å
122G85.8Confident80.8Confident59 Ų59115.4 Ų115.461%0.60863%0.629SS**  trans-153.2160.7-173.600000113.2
123G86.3Confident80.9Confident42 Ų42111.8 Ų111.843%0.43361%0.614SS.*  trans-79.5177.3173.700000112.1
124R82.8Confident80.9Confident107 Ų107114.5 Ų114.540%0.40463%0.626SS.*  trans-72.5162.3169.6-66.9-176.5-175.1178.53.1109.6D126 Q127R124-D126 PolarHBondContact O-N 3.45Å; R124-Q127 HydrophobicContact CB-CB 4.05Å; R124-Q127 HydrophobicContact CB-CG 4.24Å; R124-Q127 PolarHBondContact O-N 3.31Å; R124-Q127 VanDerWaalsContact O-O 3.06Å
125K82.8Confident80.9Confident184 Ų184115 Ų11580%0.864%0.635SS**THydrogen-bonded Turntrans-52.1128170.7-169.4-173.7172-178.80109.3Q127K125-Q127 PolarHBondContact O-N 3.13Å
126D84.2Confident81.4Confident152 Ų152117.1 Ų117.181%0.81364%0.642SS**THydrogen-bonded Turntrans59.423.6-179.6-47.6-43.7000114.3R124R124-D126 PolarHBondContact O-N 3.45Å
127Q85.2Confident82.2Confident116 Ų116113.1 Ų113.154%0.54263%0.625SS.*SBendtrans-132.5133.5175.2-61.8-173.5-9.900111.2R124 K125R124-Q127 HydrophobicContact CB-CB 4.05Å; R124-Q127 HydrophobicContact CB-CG 4.24Å; R124-Q127 PolarHBondContact O-N 3.31Å; R124-Q127 VanDerWaalsContact O-O 3.06Å; K125-Q127 PolarHBondContact O-N 3.13Å
128D82.5Confident83.6Confident152 Ų152106 Ų10681%0.81359%0.594SS**  trans-67.4138.6177.4-63-26.7000111.2V130D128-V130 PolarHBondContact O-N 2.81Å
129L87.6Confident84.7Confident85 Ų85100 Ų10045%0.44557%0.572SS.*  trans-77.8106.9168.3179.263.8000108.9V121 I131V121-L129 HydrophobicContact CG1-CD2 3.83Å; L129-I131 HydrophobicContact CD2-CD1 3.9Å; L129-I131 HydrophobicContact CD2-CG1 4.31Å; L129-I131 HydrophobicContact CG-CD1 4.21Å; L129-I131 HydrophobicContact CG-CG1 4.07Å
130V87.1Confident85.7Confident114 Ų114101.8 Ų101.869%0.69157%0.572SS**  trans-92.5112.3177.4-177.90000109.6D128 T132D128-V130 PolarHBondContact O-N 2.81Å; V130-T132 HydrophobicContact CG1-CG2 3.97Å
131I88.1Confident86.1Confident83 Ų83101.9 Ų101.943%0.42656%0.564SS.*  trans-110121.4171.6-59.4166.1000107.9L129 V138 F140L129-I131 HydrophobicContact CD2-CD1 3.9Å; L129-I131 HydrophobicContact CD2-CG1 4.31Å; L129-I131 HydrophobicContact CG-CD1 4.21Å; L129-I131 HydrophobicContact CG-CG1 4.07Å; I131-V138 HydrophobicContact CB-CG1 4.43Å; I131-V138 HydrophobicContact CG2-CB 4.49Å; I131-V138 HydrophobicContact CG2-CG1 3.57Å; I131-V138 HydrophobicContact CG2-CG2 4.03Å; I131-F140 HydrophobicContact CD1-CE1 3.99Å; I131-F140 HydrophobicContact CD1-CZ 3.68Å
132T87.3Confident86.1Confident108 Ų108105.4 Ų105.466%0.66357%0.574SS**  trans-121.2126-177.844.40000110.9V130V130-T132 HydrophobicContact CG1-CG2 3.97Å
133G85.1Confident86Confident35 Ų35105.7 Ų105.736%0.36158%0.577SS.*  trans-94.2115167.900000110.7N135 N136G133-N135 PolarHBondContact O-N 3.2Å; G133-N136 CarbonylContact C-O 3.5Å; G133-N136 VanDerWaalsContact CA-O 3.31Å; G133-N136 WeakPolarHBondContact CA-O 3.4Å
134N83.3Confident85.8Confident130 Ų130106.8 Ų106.870%0.69558%0.578SS**SBendtrans-79.6100.4175.9-71.6-20.9000109.4N136N134-N136 PolarHBondContact O-N 2.65Å
135N83.2Confident86Confident173 Ų173104.5 Ų104.593%0.92558%0.576SS**SBendtrans56.912.1-174.8-63.4-23.8000115.1G133G133-N135 PolarHBondContact O-N 3.2Å
136N85.9Confident86.3Confident119 Ų11999.6 Ų99.664%0.63656%0.555SS**SBendtrans-126.3147.9179.5-72.6-40.9000109.4G133 N134G133-N136 CarbonylContact C-O 3.5Å; G133-N136 VanDerWaalsContact CA-O 3.31Å; G133-N136 WeakPolarHBondContact CA-O 3.4Å; N134-N136 PolarHBondContact O-N 2.65Å
137P88.9Confident86.6Confident62 Ų6295 Ų9540%0.40353%0.53SS..  trans-64.1145.6174.925.2-32.6000111.7V139 V149 E150P137-V139 HydrophobicContact CB-CG2 3.96Å; P137-V139 HydrophobicContact CG-CG2 4.08Å; P137-V149 WeakPolarHBondContact CA-O 3.36Å; P137-E150 HydrophobicContact CB-CG 3.71Å
138V91.8Very high86.9Confident28 Ų2889.7 Ų89.717%0.1751%0.505CS..EExtended strand (participates in β ladder)trans-86.9116.8164.3179.70000107.8I131 F140 S148 V149I131-V138 HydrophobicContact CB-CG1 4.43Å; I131-V138 HydrophobicContact CG2-CB 4.49Å; I131-V138 HydrophobicContact CG2-CG1 3.57Å; I131-V138 HydrophobicContact CG2-CG2 4.03Å; V138-F140 HydrophobicContact CG1-CD2 4.45Å; V138-F140 HydrophobicContact CG1-CE2 3.74Å; V138-F140 HydrophobicContact CG1-CZ 4.04Å; V138-S148 WeakPolarHBondContact O-CA 3.25Å; V138-V149 HydrophobicContact CB-CB 4.49Å; V138-V149 PolarHBondContact N-O 3.35Å; V138-V149 PolarHBondContact O-N 3.44Å
139V90.9Very high87.4Confident62 Ų6285.4 Ų85.438%0.37649%0.485SS..EExtended strand (participates in β ladder)trans-118.3121.8-174.1-176.40000110.6P137 Q141 K146 L147P137-V139 HydrophobicContact CB-CG2 3.96Å; P137-V139 HydrophobicContact CG-CG2 4.08Å; V139-Q141 HydrophobicContact CG1-CB 4.33Å; V139-K146 HydrophobicContact CG1-CD 4.28Å; V139-K146 HydrophobicContact CG1-CG 3.98Å; V139-L147 CarbonylContact C-O 3.54Å; V139-L147 WeakPolarHBondContact CA-O 3.25Å
140F88.8Confident87.5Confident104 Ų10485.5 Ų85.546%0.45648%0.483SS..EExtended strand (participates in β ladder)trans-103.5122165.2-56.6-88.1000108.1I131 V138 K146 L147I131-F140 HydrophobicContact CD1-CE1 3.99Å; I131-F140 HydrophobicContact CD1-CZ 3.68Å; V138-F140 HydrophobicContact CG1-CD2 4.45Å; V138-F140 HydrophobicContact CG1-CE2 3.74Å; V138-F140 HydrophobicContact CG1-CZ 4.04Å; F140-K146 CarbonylContact O-C 3.6Å; F140-K146 WeakPolarHBondContact O-CA 3.21Å; F140-L147 HydrophobicContact CB-CB 4.26Å; F140-L147 HydrophobicContact CD2-CD2 3.79Å; F140-L147 HydrophobicContact CD2-CG 4.1Å; F140-L147 HydrophobicContact CE2-CD2 4.42Å; F140-L147 PolarHBondContact N-O 2.93Å; F140-L147 PolarHBondContact O-N 3.16Å
141Q87.6Confident87.4Confident132 Ų13289.4 Ų89.462%0.61749%0.49SS*.EExtended strand (participates in β ladder)trans-135.6133-177.5-175.5177.4-10.500111V139 G143 T145 K146V139-Q141 HydrophobicContact CG1-CB 4.33Å; Q141-G143 PolarHBondContact NE2-O 3.34Å; Q141-T145 WeakPolarHBondContact CA-O 3.48Å; Q141-K146 HydrophobicContact CG-CB 4.44Å
142Q83.2Confident87.3Confident166 Ų16693.2 Ų93.278%0.77651%0.506SS*.EExtended strand (participates in β ladder)trans-137.3105.7171.9-173.8176.810.700108.8S144 T145Q142-S144 PolarHBondContact O-N 3.42Å; Q142-T145 PolarHBondContact N-O 3.38Å; Q142-T145 WeakPolarHBondContact O-CB 3.37Å; Q142-T145 PolarHBondContact O-N 3.42Å
143G83.6Confident87.3Confident66 Ų6694 Ų9468%0.6850%0.501SS*.THydrogen-bonded Turntrans60.5-123-174.500000111.8Q141Q141-G143 PolarHBondContact NE2-O 3.34Å
144S82.8Confident87.4Confident64 Ų6496.4 Ų96.445%0.44851%0.509SS..THydrogen-bonded Turntrans-79.7-18.2174.651.80000113.8Q142 D159Q142-S144 PolarHBondContact O-N 3.42Å; S144-D159 WeakPolarHBondContact CB-OD2 3.21Å; S144-D159 PolarHBondContact OG-OD2 3.28Å
145T85.6Confident87.6Confident60 Ų6091.6 Ų91.637%0.36849%0.485SS..EExtended strand (participates in β ladder)trans-81.5127.2-179.3-57.50000110.2Q141 Q142 T157Q141-T145 WeakPolarHBondContact CA-O 3.48Å; Q142-T145 PolarHBondContact N-O 3.38Å; Q142-T145 WeakPolarHBondContact O-CB 3.37Å; Q142-T145 PolarHBondContact O-N 3.42Å; T145-T157 CarbonylContact C-O 3.48Å; T145-T157 VanDerWaalsContact CA-O 3.25Å; T145-T157 WeakPolarHBondContact CA-O 3.46Å
146K90.1Very high87.8Confident80 Ų8086.2 Ų86.235%0.34846%0.456SS..EExtended strand (participates in β ladder)trans-140.7126.3-175.6-176.7178.4176176.80111.3V139 F140 Q141 I156 T157V139-K146 HydrophobicContact CG1-CD 4.28Å; V139-K146 HydrophobicContact CG1-CG 3.98Å; F140-K146 CarbonylContact O-C 3.6Å; F140-K146 WeakPolarHBondContact O-CA 3.21Å; Q141-K146 HydrophobicContact CG-CB 4.44Å; K146-I156 CarbonylContact O-C 3.6Å; K146-I156 WeakPolarHBondContact O-CA 3.48Å; K146-T157 PolarHBondContact N-O 2.87Å; K146-T157 PolarHBondContact O-N 3.38Å
147L90.3Very high87.8Confident57 Ų5784.4 Ų84.430%0.29845%0.449SS..EExtended strand (participates in β ladder)trans-110.2118.3166.6165.966.1000108.1V139 F140 V149 T154 I156V139-L147 CarbonylContact C-O 3.54Å; V139-L147 WeakPolarHBondContact CA-O 3.25Å; F140-L147 HydrophobicContact CB-CB 4.26Å; F140-L147 HydrophobicContact CD2-CD2 3.79Å; F140-L147 HydrophobicContact CD2-CG 4.1Å; F140-L147 HydrophobicContact CE2-CD2 4.42Å; F140-L147 PolarHBondContact N-O 2.93Å; F140-L147 PolarHBondContact O-N 3.16Å; L147-V149 HydrophobicContact CD1-CG2 4.26Å; L147-V149 HydrophobicContact CG-CG2 4.43Å; L147-T154 HydrophobicContact CD1-CG2 4.01Å; L147-I156 HydrophobicContact CD1-CD1 4.01Å; L147-I156 HydrophobicContact CD1-CG1 3.69Å
148S91.8Very high87.4Confident3 Ų383 Ų832%0.02144%0.441CS..EExtended strand (participates in β ladder)trans-121120.7177.7-174.80000109.8V138 E150 T154 S155V138-S148 WeakPolarHBondContact O-CA 3.25Å; S148-E150 PolarHBondContact OG-OE1 2.94Å; S148-T154 WeakPolarHBondContact O-CA 3.18Å; S148-S155 WeakPolarHBondContact CB-OG 3.38Å; S148-S155 PolarHBondContact N-O 2.89Å; S148-S155 PolarHBondContact O-N 3.39Å
149V91.4Very high86.6Confident62 Ų6287.6 Ų87.638%0.37646%0.464SS..EExtended strand (participates in β ladder)trans-106.8109177.5-173.80000108.4P137 V138 L147 T154P137-V149 WeakPolarHBondContact CA-O 3.36Å; V138-V149 HydrophobicContact CB-CB 4.49Å; V138-V149 PolarHBondContact N-O 3.35Å; V138-V149 PolarHBondContact O-N 3.44Å; L147-V149 HydrophobicContact CD1-CG2 4.26Å; L147-V149 HydrophobicContact CG-CG2 4.43Å; V149-T154 HydrophobicContact CG2-CG2 4.27Å
150E89.9Confident85.6Confident87 Ų8792 Ų9241%0.40748%0.483SS..  trans-109.9166.1175.3-65.6160.4-146.900110.4P137 S148 E152 K153P137-E150 HydrophobicContact CB-CG 3.71Å; S148-E150 PolarHBondContact OG-OE1 2.94Å; E150-E152 VanDerWaalsContact C-N 3.28Å; E150-E152 PolarHBondContact O-N 2.9Å; E150-K153 WeakPolarHBondContact CA-O 3.38Å; E150-K153 VanDerWaalsContact CB-O 3.25Å; E150-K153 WeakPolarHBondContact CB-O 3.33Å; E150-K153 PolarHBondContact N-O 2.84Å; E150-K153 PolarHBondContact O-N 3.35Å
151K84.9Confident84.9Confident196 Ų19688.2 Ų88.285%0.85247%0.473SS*.SBendtrans-54.9-41.8-179.3-174-176.8173.1-175.50113.3
152E87.1Confident84.5Confident163 Ų16383.8 Ų83.876%0.76245%0.453SS*.SBendtrans-108.4-8.4-174.2-56-59.5149.500112.9E150E150-E152 VanDerWaalsContact C-N 3.28Å; E150-E152 PolarHBondContact O-N 2.9Å
153K86.1Confident84.5Confident124 Ų12479.3 Ų79.354%0.53944%0.44SS..  trans-150132.1-169.7-173.5-174.7-179.9-163.70111.3E150E150-K153 WeakPolarHBondContact CA-O 3.38Å; E150-K153 VanDerWaalsContact CB-O 3.25Å; E150-K153 WeakPolarHBondContact CB-O 3.33Å; E150-K153 PolarHBondContact N-O 2.84Å; E150-K153 PolarHBondContact O-N 3.35Å
154T87.5Confident84.5Confident87 Ų8780.9 Ų80.953%0.53443%0.429SS..EExtended strand (participates in β ladder)trans-104.4128.1160.1-59.90000108L147 S148 V149L147-T154 HydrophobicContact CD1-CG2 4.01Å; S148-T154 WeakPolarHBondContact O-CA 3.18Å; V149-T154 HydrophobicContact CG2-CG2 4.27Å
155S87.6Confident84.5Confident29 Ų2980.4 Ų80.420%0.20342%0.423CS..EExtended strand (participates in β ladder)trans-123.8136.7177.460.10000110.8S148S148-S155 WeakPolarHBondContact CB-OG 3.38Å; S148-S155 PolarHBondContact N-O 2.89Å; S148-S155 PolarHBondContact O-N 3.39Å
156I87.4Confident84.4Confident60 Ų6079.2 Ų79.231%0.30841%0.414SS..EExtended strand (participates in β ladder)trans-128.6127.7178.4-43.8-175.9000107.4K146 L147 I162 F164K146-I156 CarbonylContact O-C 3.6Å; K146-I156 WeakPolarHBondContact O-CA 3.48Å; L147-I156 HydrophobicContact CD1-CD1 4.01Å; L147-I156 HydrophobicContact CD1-CG1 3.69Å; I156-I162 HydrophobicContact CB-CD1 3.56Å; I156-I162 HydrophobicContact CB-CG1 4.49Å; I156-I162 HydrophobicContact CD1-CD1 4.47Å; I156-I162 HydrophobicContact CD1-CG2 4.34Å; I156-I162 HydrophobicContact CG2-CD1 3.29Å; I156-I162 HydrophobicContact CG2-CG1 3.7Å; I156-I162 HydrophobicContact CG2-CG2 4.44Å; I156-F164 HydrophobicContact CD1-CE1 4.25Å; I156-F164 HydrophobicContact CD1-CZ 3.6Å
157T85.7Confident84Confident80 Ų8080.6 Ų80.649%0.49143%0.431SS..EExtended strand (participates in β ladder)trans-121.4126174.8-54.40000107.1T145 K146T145-T157 CarbonylContact C-O 3.48Å; T145-T157 VanDerWaalsContact CA-O 3.25Å; T145-T157 WeakPolarHBondContact CA-O 3.46Å; K146-T157 PolarHBondContact N-O 2.87Å; K146-T157 PolarHBondContact O-N 3.38Å
158S81.6Confident83.8Confident34 Ų3488 Ų8824%0.23846%0.455CS..  trans-149.7139.9178.3178.40000108.7M160 G161S158-M160 PolarHBondContact OG-N 2.97Å; S158-G161 VanDerWaalsContact CB-O 3.28Å; S158-G161 WeakPolarHBondContact CB-O 3.31Å; S158-G161 PolarHBondContact OG-N 2.85Å; S158-G161 PolarHBondContact OG-O 3.27Å
159D74Confident83.7Confident123 Ų12391.2 Ų91.266%0.65848%0.475SS*.SBendtrans-81.3-27.7176.7-61.9-21.7000111.8S144S144-D159 WeakPolarHBondContact CB-OD2 3.21Å; S144-D159 PolarHBondContact OG-OD2 3.28Å
160M70.5Confident83.4Confident155 Ų15595 Ų9576%0.76449%0.489SS*.SBendtrans-1027.4-175.3-69174.845.400113.3S158S158-M160 PolarHBondContact OG-N 2.97Å
161G74.4Confident83.2Confident24 Ų2495.3 Ų95.325%0.24749%0.493CS..  trans86.1-179.6-173.300000114.2S158 T176S158-G161 VanDerWaalsContact CB-O 3.28Å; S158-G161 WeakPolarHBondContact CB-O 3.31Å; S158-G161 PolarHBondContact OG-N 2.85Å; S158-G161 PolarHBondContact OG-O 3.27Å; G161-T176 WeakPolarHBondContact CA-OG1 3.22Å
162I79.3Confident83Confident40 Ų4089.2 Ų89.221%0.20547%0.472CS..  trans-138.3133.7-170.8-58.2156000108.3I156 F164 S175 T176I156-I162 HydrophobicContact CB-CD1 3.56Å; I156-I162 HydrophobicContact CB-CG1 4.49Å; I156-I162 HydrophobicContact CD1-CD1 4.47Å; I156-I162 HydrophobicContact CD1-CG2 4.34Å; I156-I162 HydrophobicContact CG2-CD1 3.29Å; I156-I162 HydrophobicContact CG2-CG1 3.7Å; I156-I162 HydrophobicContact CG2-CG2 4.44Å; I162-F164 HydrophobicContact CG2-CD2 4.39Å; I162-F164 HydrophobicContact CG2-CE2 3.84Å; I162-F164 HydrophobicContact CG2-CZ 4.04Å; I162-S175 CarbonylContact O-C 3.53Å; I162-S175 VanDerWaalsContact O-CA 3.28Å; I162-S175 WeakPolarHBondContact O-CA 3.35Å; I162-T176 HydrophobicContact CB-CG2 4.5Å; I162-T176 PolarHBondContact N-OG1 3.22Å; I162-T176 PolarHBondContact O-N 3.44Å
163S82.4Confident82.6Confident72 Ų7288.2 Ų88.250%0.50347%0.466SS..EExtended strand (participates in β ladder)trans-125140.4171.159.40000111.6F174S163-F174 CarbonylContact C-O 3.55Å; S163-F174 VanDerWaalsContact CA-O 3.29Å; S163-F174 WeakPolarHBondContact CA-O 3.43Å
164F83.1Confident82.1Confident99 Ų9986 Ų8643%0.43446%0.456SS..EExtended strand (participates in β ladder)trans-111.5106.1171.1-61.7-85.5000108.1I156 I162 T172 F173 F174I156-F164 HydrophobicContact CD1-CE1 4.25Å; I156-F164 HydrophobicContact CD1-CZ 3.6Å; I162-F164 HydrophobicContact CG2-CD2 4.39Å; I162-F164 HydrophobicContact CG2-CE2 3.84Å; I162-F164 HydrophobicContact CG2-CZ 4.04Å; F164-T172 CarbonylContact O-C 3.49Å; F164-F173 PolarHBondContact O-N 3.27Å; F164-F174 HydrophobicContact CB-CB 4.43Å; F164-F174 HydrophobicContact CD2-CB 3.9Å; F164-F174 AromaticContact CD2-CD1 3.44Å; F164-F174 HydrophobicContact CD2-CD1 3.44Å; F164-F174 VanDerWaalsContact CD2-CD1 3.44Å; F164-F174 HydrophobicContact CD2-CE1 4.26Å; F164-F174 HydrophobicContact CD2-CG 4.02Å; F164-F174 AromaticContact CE2-CD1 3.64Å; F164-F174 HydrophobicContact CE2-CD1 3.64Å; F164-F174 HydrophobicContact CE2-CE1 4.01Å; F164-F174 HydrophobicContact CE2-CG 4.46Å; F164-F174 PolarHBondContact N-O 2.89Å; F164-F174 PolarHBondContact O-N 3.46Å
165T84.3Confident81.5Confident53 Ų5383 Ų8333%0.32544%0.439SS..EExtended strand (participates in β ladder)trans-116.9135-178-52.50000109.5P167 N171 T172T165-P167 WeakPolarHBondContact O-CD 3.42Å; T165-N171 WeakPolarHBondContact CA-O 3.21Å; T165-T172 PolarHBondContact OG1-OG1 2.84Å; T165-T172 VanDerWaalsContact OG1-OG1 3.09Å
166D83.2Confident80.8Confident35 Ų3584.5 Ų84.519%0.18745%0.447CS..  trans-65.2118.5168.9179.1-8.7000109R168 T169 Q170 N171 F173D166-R168 PolarHBondContact O-N 2.87Å; D166-R168 WeakPolarHBondContact OD1-CB 3.32Å; D166-R168 PolarHBondContact OD1-N 3.25Å; D166-T169 WeakPolarHBondContact CB-OG1 3.35Å; D166-T169 PolarHBondContact OD1-N 2.87Å; D166-T169 WeakPolarHBondContact OD2-CB 3.29Å; D166-T169 VanDerWaalsContact OD2-CG2 3.26Å; D166-T169 WeakPolarHBondContact OD2-CG2 3.48Å; D166-T169 PolarHBondContact OD2-OG1 3.31Å; D166-Q170 WeakPolarHBondContact O-CA 3.4Å; D166-Q170 PolarHBondContact O-N 3.25Å; D166-N171 PolarHBondContact N-O 3.42Å; D166-F173 HydrophobicContact CB-CE2 3.71Å; D166-F173 HydrophobicContact CB-CZ 4.17Å
167P80.5Confident79.8Confident109 Ų10986.2 Ų86.271%0.70846%0.457SS*.THydrogen-bonded Turntrans-63.9-26.2-178.826.1-34.6000113T165 Q170T165-P167 WeakPolarHBondContact O-CD 3.42Å; P167-Q170 PolarHBondContact O-NE2 3.49Å
168R86Confident78.6Confident213 Ų21385.9 Ų85.980%0.80445%0.449SS*.THydrogen-bonded Turntrans-84.4-45-177.1-172.1-177.867.5123.71.8112.2D166D166-R168 PolarHBondContact O-N 2.87Å; D166-R168 WeakPolarHBondContact OD1-CB 3.32Å; D166-R168 PolarHBondContact OD1-N 3.25Å
169T90.1Very high77.5Confident71 Ų7193.1 Ų93.144%0.43648%0.479SS..THydrogen-bonded Turntrans-93.4-10.5-177.762.90000113.1D166 N171D166-T169 WeakPolarHBondContact CB-OG1 3.35Å; D166-T169 PolarHBondContact OD1-N 2.87Å; D166-T169 WeakPolarHBondContact OD2-CB 3.29Å; D166-T169 VanDerWaalsContact OD2-CG2 3.26Å; D166-T169 WeakPolarHBondContact OD2-CG2 3.48Å; D166-T169 PolarHBondContact OD2-OG1 3.31Å; T169-N171 PolarHBondContact O-N 2.87Å; T169-N171 VanDerWaalsContact O-N 3.14Å; T169-N171 WeakPolarHBondContact OG1-CB 3.46Å; T169-N171 PolarHBondContact OG1-N 2.91Å
170Q86.3Confident76.9Confident141 Ų14192.8 Ų92.866%0.65948%0.477SS*.  trans56.120.5-171.5-63.7-67.4-47.300113D166 P167D166-Q170 WeakPolarHBondContact O-CA 3.4Å; D166-Q170 PolarHBondContact O-N 3.25Å; P167-Q170 PolarHBondContact O-NE2 3.49Å
171N84.8Confident76.4Confident93 Ų9394.4 Ų94.450%0.49748%0.482SS..  trans-88.1124.5179.6-169.221.4000110.3T165 D166 T169T165-N171 WeakPolarHBondContact CA-O 3.21Å; D166-N171 PolarHBondContact N-O 3.42Å; T169-N171 PolarHBondContact O-N 2.87Å; T169-N171 VanDerWaalsContact O-N 3.14Å; T169-N171 WeakPolarHBondContact OG1-CB 3.46Å; T169-N171 PolarHBondContact OG1-N 2.91Å
172T80.2Confident75.9Confident68 Ų6898.3 Ų98.342%0.41749%0.494SS..EExtended strand (participates in β ladder)trans-83.8114.9178.5-55.60000109.9F164 T165 F174F164-T172 CarbonylContact O-C 3.49Å; T165-T172 PolarHBondContact OG1-OG1 2.84Å; T165-T172 VanDerWaalsContact OG1-OG1 3.09Å; T172-F174 WeakPolarHBondContact CG2-O 3.37Å
173F79.1Confident75.5Confident142 Ų142102 Ų10262%0.62351%0.509SS*.EExtended strand (participates in β ladder)trans-79.6-32.5177-66.1-63.1000112.5F164 D166F164-F173 PolarHBondContact O-N 3.27Å; D166-F173 HydrophobicContact CB-CE2 3.71Å; D166-F173 HydrophobicContact CB-CZ 4.17Å
174F75.3Confident75Confident78 Ų78103.5 Ų103.534%0.34251%0.508SS..EExtended strand (participates in β ladder)trans-152.6136.6-178.2175.4-86.6000109.3S163 F164 T172 T176S163-F174 CarbonylContact C-O 3.55Å; S163-F174 VanDerWaalsContact CA-O 3.29Å; S163-F174 WeakPolarHBondContact CA-O 3.43Å; F164-F174 HydrophobicContact CB-CB 4.43Å; F164-F174 HydrophobicContact CD2-CB 3.9Å; F164-F174 AromaticContact CD2-CD1 3.44Å; F164-F174 HydrophobicContact CD2-CD1 3.44Å; F164-F174 VanDerWaalsContact CD2-CD1 3.44Å; F164-F174 HydrophobicContact CD2-CE1 4.26Å; F164-F174 HydrophobicContact CD2-CG 4.02Å; F164-F174 AromaticContact CE2-CD1 3.64Å; F164-F174 HydrophobicContact CE2-CD1 3.64Å; F164-F174 HydrophobicContact CE2-CE1 4.01Å; F164-F174 HydrophobicContact CE2-CG 4.46Å; F164-F174 PolarHBondContact N-O 2.89Å; F164-F174 PolarHBondContact O-N 3.46Å; T172-F174 WeakPolarHBondContact CG2-O 3.37Å; F174-T176 HydrophobicContact CD1-CG2 4.36Å; F174-T176 HydrophobicContact CE1-CG2 3.36Å; F174-T176 HydrophobicContact CZ-CG2 3.62Å
175S75.2Confident74.5Confident25 Ų25102.1 Ų102.118%0.17551%0.505CS..EExtended strand (participates in β ladder)trans-137.7141.1169.4-170.70000108.4I162 D177 F178I162-S175 CarbonylContact O-C 3.53Å; I162-S175 VanDerWaalsContact O-CA 3.28Å; I162-S175 WeakPolarHBondContact O-CA 3.35Å; S175-D177 PolarHBondContact OG-N 2.83Å; S175-D177 VanDerWaalsContact OG-N 3.11Å; S175-D177 PolarHBondContact OG-O 3.42Å; S175-F178 WeakPolarHBondContact O-CE2 3.35Å
176T74Confident73.9Confident60 Ų60102.6 Ų102.637%0.36851%0.509SS..SBendtrans-101.1-12.5162.873.20000111.6G161 I162 F174 F178G161-T176 WeakPolarHBondContact CA-OG1 3.22Å; I162-T176 HydrophobicContact CB-CG2 4.5Å; I162-T176 PolarHBondContact N-OG1 3.22Å; I162-T176 PolarHBondContact O-N 3.44Å; F174-T176 HydrophobicContact CD1-CG2 4.36Å; F174-T176 HydrophobicContact CE1-CG2 3.36Å; F174-T176 HydrophobicContact CZ-CG2 3.62Å; T176-F178 PolarHBondContact O-N 3.29Å
177D65.5Low73.2Confident95 Ų95111.4 Ų111.451%0.50855%0.545SS..  trans-80.496.2172.3-1709.3000107.3S175S175-D177 PolarHBondContact OG-N 2.83Å; S175-D177 VanDerWaalsContact OG-N 3.11Å; S175-D177 PolarHBondContact OG-O 3.42Å
178F61.3Low72.9Confident74 Ų74110 Ų11033%0.32555%0.55SS..  trans-116.6121.1167-74.2-77.8000106.2S175 T176 N180 H181 E182S175-F178 WeakPolarHBondContact O-CE2 3.35Å; T176-F178 PolarHBondContact O-N 3.29Å; F178-N180 PolarHBondContact O-N 2.91Å; F178-H181 PolarHBondContact O-N 2.86Å; F178-E182 WeakPolarHBondContact CB-O 3.29Å; F178-E182 VanDerWaalsContact CD2-O 3.26Å; F178-E182 WeakPolarHBondContact CD2-O 3.29Å; F178-E182 WeakPolarHBondContact CG-O 3.38Å
179E58.5Low72.4Confident185 Ų185103 Ų10386%0.86453%0.531SS*.THydrogen-bonded Turntrans-49.5-24.4-177.7-68.7-176.6155.100113.4
180N60.6Low71.8Confident117 Ų117109 Ų10963%0.62655%0.551SS**THydrogen-bonded Turntrans-965.9-178.3-60.8-27.8000114.9F178 E182F178-N180 PolarHBondContact O-N 2.91Å; N180-E182 HydrophobicContact CB-CB 4.41Å; N180-E182 HydrophobicContact CB-CG 4.07Å; N180-E182 PolarHBondContact O-N 3.38Å; N180-E182 VanDerWaalsContact O-N 3.08Å
181H61.3Low71.7Confident188 Ų188108 Ų10887%0.8755%0.554SS**SBendtrans57.417.3-171.5-58.967.5000113.8F178F178-H181 PolarHBondContact O-N 2.86Å
182E62.4Low71.7Confident107 Ų107108.1 Ų108.150%0.555%0.554SS.*  trans-94.7120.2-179.1-68.5-173.3-178.100110.4F178 N180 H184F178-E182 WeakPolarHBondContact CB-O 3.29Å; F178-E182 VanDerWaalsContact CD2-O 3.26Å; F178-E182 WeakPolarHBondContact CD2-O 3.29Å; F178-E182 WeakPolarHBondContact CG-O 3.38Å; N180-E182 HydrophobicContact CB-CB 4.41Å; N180-E182 HydrophobicContact CB-CG 4.07Å; N180-E182 PolarHBondContact O-N 3.38Å; N180-E182 VanDerWaalsContact O-N 3.08Å; E182-H184 PolarHBondContact O-N 3.28Å; E182-H184 IonicContact OE2-CE1 3.27Å; E182-H184 PolarHBondContact OE2-CE1 2.86Å; E182-H184 VanDerWaalsContact OE2-CE1 3.27Å; E182-H184 IonicContact OE2-NE2 3.57Å
183F72.1Confident71.9Confident118 Ų118110.5 Ų110.552%0.51857%0.574SS.*  trans-86.4104.9172.3179.1-101.3000110.2L185F183-L185 HydrophobicContact CE1-CD2 3.9Å
184H72Confident72.2Confident102 Ų102107.7 Ų107.747%0.47257%0.568SS.*PPolyproline II helixtrans-89.8138.6173.1-59.3-65.2000111.7E182E182-H184 PolarHBondContact O-N 3.28Å; E182-H184 IonicContact OE2-CE1 3.27Å; E182-H184 PolarHBondContact OE2-CE1 2.86Å; E182-H184 VanDerWaalsContact OE2-CE1 3.27Å; E182-H184 IonicContact OE2-NE2 3.57Å
185L72.5Confident72.7Confident71 Ų71114.6 Ų114.637%0.37260%0.598SS.*PPolyproline II helixtrans-70135.2171.5-67.4172.3000110.2F183 V189 L192F183-L185 HydrophobicContact CE1-CD2 3.9Å; L185-V189 HydrophobicContact CB-CB 4.27Å; L185-V189 HydrophobicContact CB-CG1 4.39Å; L185-V189 HydrophobicContact CD2-CG1 4.03Å; L185-L192 HydrophobicContact CD1-CB 4.44Å; L185-L192 HydrophobicContact CD2-CB 4.12Å; L185-L192 HydrophobicContact CD2-CD1 4.09Å; L185-L192 HydrophobicContact CD2-CD2 4.4Å; L185-L192 HydrophobicContact CD2-CG 4.43Å
186P70.1Confident73.2Confident63 Ų63122.3 Ų122.341%0.40963%0.628SS.*PPolyproline II helixtrans-56.5152175.6-24.132.3000112.6G188 V189P186-G188 PolarHBondContact O-N 3.38Å; P186-G188 VanDerWaalsContact O-N 3.17Å; P186-V189 HydrophobicContact CB-CG2 4.14Å; P186-V189 HydrophobicContact CG-CG2 4.35Å; P186-V189 WeakPolarHBondContact O-CB 3.25Å; P186-V189 PolarHBondContact O-N 2.84Å
187K69.6Low73.8Confident220 Ų220122.5 Ų122.596%0.95764%0.636SS**THydrogen-bonded Turntrans-54.7123.6177.6-68.3-175.6-178.3177.80110.4
188G74Confident74.7Confident78 Ų78123.9 Ų123.980%0.80465%0.653SS**THydrogen-bonded Turntrans101.3-18.2-177.800000114.7P186 K190P186-G188 PolarHBondContact O-N 3.38Å; P186-G188 VanDerWaalsContact O-N 3.17Å; G188-K190 PolarHBondContact O-N 3.28Å
189V75.1Confident75.9Confident67 Ų67124.5 Ų124.541%0.40666%0.663SS.*  trans-84.9110.2176.5-176.90000109.6L185 P186L185-V189 HydrophobicContact CB-CB 4.27Å; L185-V189 HydrophobicContact CB-CG1 4.39Å; L185-V189 HydrophobicContact CD2-CG1 4.03Å; P186-V189 HydrophobicContact CB-CG2 4.14Å; P186-V189 HydrophobicContact CG-CG2 4.35Å; P186-V189 WeakPolarHBondContact O-CB 3.25Å; P186-V189 PolarHBondContact O-N 2.84Å
190K78.7Confident77.1Confident197 Ų197125.4 Ų125.486%0.85767%0.667SS**  trans-100.2-21.2179.2-65.6-175.9-179.8-179.50114G188G188-K190 PolarHBondContact O-N 3.28Å
191V82.9Confident78.3Confident120 Ų120128.6 Ų128.673%0.72767%0.671SS**  trans-128.6126.1-173.3-179.60000108.7
192L84.6Confident79.7Confident96 Ų96124.5 Ų124.550%0.50365%0.654SS.*  trans-102.9110.3172-178.661.7000108.6L185 V194L185-L192 HydrophobicContact CD1-CB 4.44Å; L185-L192 HydrophobicContact CD2-CB 4.12Å; L185-L192 HydrophobicContact CD2-CD1 4.09Å; L185-L192 HydrophobicContact CD2-CD2 4.4Å; L185-L192 HydrophobicContact CD2-CG 4.43Å; L192-V194 HydrophobicContact CD1-CG1 3.84Å; L192-V194 HydrophobicContact CD2-CG1 4.4Å; L192-V194 HydrophobicContact CG-CG1 3.87Å
193S86Confident80.9Confident118 Ų118123.7 Ų123.783%0.82566%0.657SS**  trans-101.9112.6175.7-172.60000109.8
194V85Confident81.7Confident82 Ų82120.1 Ų120.150%0.49765%0.646SS.*  trans-137.6144.9-175.8-69.50000110.6L192 A197L192-V194 HydrophobicContact CD1-CG1 3.84Å; L192-V194 HydrophobicContact CD2-CG1 4.4Å; L192-V194 HydrophobicContact CG-CG1 3.87Å; V194-A197 HydrophobicContact CG2-CB 4.16Å
195K85.3Confident82.2Confident224 Ų224120.7 Ų120.797%0.97465%0.653SS**SBendtrans-76.3-33.6175.1-69.3-175.7178.6179.70112.8
196K86.2Confident82.6Confident186 Ų186122.6 Ų122.681%0.80968%0.678SS**  trans-153.4131.3178.8-175179.2179.4-175.50108.2
197A85.4Confident83.3Confident64 Ų64124.8 Ų124.853%0.52970%0.695SS.*  trans-120.3138.4167.900000108.4V194V194-A197 HydrophobicContact CG2-CB 4.16Å
198S85.9Confident84.1Confident124 Ų124116.8 Ų116.887%0.86767%0.667SS**  trans-124.2111.3171.4-169.30000106.3
199T85.1Confident84.9Confident88 Ų88120.9 Ų120.954%0.5467%0.67SS.*  trans-150.8153.4-177179.90000108.3R201 I202T199-R201 PolarHBondContact OG1-N 3.48Å; T199-R201 PolarHBondContact OG1-O 3.28Å; T199-I202 HydrophobicContact CG2-CD1 4.09Å; T199-I202 HydrophobicContact CG2-CG1 3.5Å; T199-I202 VanDerWaalsContact CG2-CG1 3.5Å
200E84.3Confident85.7Confident204 Ų204121.6 Ų121.695%0.95367%0.672SS**SBendtrans-71-35.1175.8-61.8-179.8178.100111.3
201R86.7Confident86.2Confident184 Ų184116.3 Ų116.369%0.69466%0.659SS**  trans-149135.3-174-174.5173.9171.1177.6-5.6112.3T199T199-R201 PolarHBondContact OG1-N 3.48Å; T199-R201 PolarHBondContact OG1-O 3.28Å
202I89.1Confident86.6Confident101 Ų101115.3 Ų115.352%0.51865%0.649SS.*  trans-113.5121.6168.4-53.9173.9000107.1T199 L210T199-I202 HydrophobicContact CG2-CD1 4.09Å; T199-I202 HydrophobicContact CG2-CG1 3.5Å; T199-I202 VanDerWaalsContact CG2-CG1 3.5Å; I202-L210 HydrophobicContact CB-CD2 4.44Å; I202-L210 HydrophobicContact CG2-CD1 3.93Å; I202-L210 HydrophobicContact CG2-CD2 3.81Å
203T89.1Confident86.9Confident91 Ų91119.4 Ų119.456%0.55866%0.663SS**  trans-133143.6179.5-1680000110.2
204S87.4Confident87Confident43 Ų43115.7 Ų115.730%0.30164%0.644SS.*  trans-82.2170.4164.555.80000110.7S208S204-S208 WeakPolarHBondContact CB-O 3.31Å; S204-S208 PolarHBondContact OG-O 3.37Å
205N83.7Confident86.9Confident114 Ų114120.3 Ų120.361%0.6167%0.665SS**  trans-68.1152.1166.9-170.7-6.4000109.6S207 S208N205-S207 PolarHBondContact O-N 2.86Å; N205-S208 WeakPolarHBondContact CB-OG 3.47Å; N205-S208 PolarHBondContact N-OG 2.84Å; N205-S208 PolarHBondContact O-N 3.38Å; N205-S208 VanDerWaalsContact O-O 3.04Å; N205-S208 PolarHBondContact O-OG 2.91Å; N205-S208 VanDerWaalsContact O-OG 3.13Å
206A81.4Confident86.8Confident110 Ų110115.7 Ų115.791%0.90966%0.661SS**THydrogen-bonded Turntrans-54.6-25.3-177.300000114.3
207S83.1Confident86.8Confident109 Ų109114.2 Ų114.276%0.76266%0.655SS**THydrogen-bonded Turntrans-100.86.4-178.967.30000114.4N205N205-S207 PolarHBondContact O-N 2.86Å
208S87Confident86.9Confident52 Ų52114.3 Ų114.336%0.36466%0.656SS.*SBendtrans-138.9148.9-170.662.10000112.9S204 N205S204-S208 WeakPolarHBondContact CB-O 3.31Å; S204-S208 PolarHBondContact OG-O 3.37Å; N205-S208 WeakPolarHBondContact CB-OG 3.47Å; N205-S208 PolarHBondContact N-OG 2.84Å; N205-S208 PolarHBondContact O-N 3.38Å; N205-S208 VanDerWaalsContact O-O 3.04Å; N205-S208 PolarHBondContact O-OG 2.91Å; N205-S208 VanDerWaalsContact O-OG 3.13Å
209D90.7Very high87.1Confident164 Ų164112.9 Ų112.988%0.87764%0.637SS**  trans-78.9142.1175.8-60.7-24.7000111.6
210L91.3Very high87.4Confident82 Ų82113.6 Ų113.643%0.42964%0.637SS.*  trans-85.4112.6169.6-178.460.1000109.4I202 I212I202-L210 HydrophobicContact CB-CD2 4.44Å; I202-L210 HydrophobicContact CG2-CD1 3.93Å; I202-L210 HydrophobicContact CG2-CD2 3.81Å; L210-I212 HydrophobicContact CD2-CD1 4.34Å; L210-I212 HydrophobicContact CG-CG1 4.24Å
211S91.1Very high87.7Confident86 Ų86114.1 Ų114.160%0.60163%0.63SS**  trans-106.5115.1174.5-169.10000110.7K213S211-K213 WeakPolarHBondContact OG-CE 3.39Å
212I91.1Very high87.9Confident100 Ų100107.1 Ų107.151%0.51362%0.616SS.*  trans-103.5118.2172.9-57176.1000107.5L210L210-I212 HydrophobicContact CD2-CD1 4.34Å; L210-I212 HydrophobicContact CG-CG1 4.24Å
213K90.1Very high87.9Confident181 Ų181110.8 Ų110.879%0.78764%0.636SS**  trans-122.7132.5178.2-63.6-178.1-178.2179.20109.2S211S211-K213 WeakPolarHBondContact OG-CE 3.39Å
214G87.4Confident87.9Confident41 Ų41115.3 Ų115.342%0.42365%0.651SS.*  trans-112.1137.4165.900000108.9
215D83.6Confident88Confident178 Ų178115.3 Ų115.395%0.95266%0.658SS**SBendtrans-61.6-47.3-179.3-63.4-34.3000111.5
216S83.4Confident88.3Confident127 Ų127113.5 Ų113.589%0.88865%0.651SS**SBendtrans-127.4-32.9177.9600000113.2
217K85.1Confident88.9Confident155 Ų155116.9 Ų116.967%0.67465%0.645SS**  trans-148.3128.3-176.9-167.4179.5-169.7-178.40110.4I219K217-I219 HydrophobicContact CD-CD1 3.9Å; K217-I219 HydrophobicContact CD-CG1 4.02Å; K217-I219 HydrophobicContact CG-CD1 4.37Å; K217-I219 HydrophobicContact CG-CG1 3.92Å
218A87.9Confident89.3Confident67 Ų67116.2 Ų116.255%0.55463%0.632SS**  trans-115.3130.116600000108.3
219I90Very high89.5Confident93 Ų93122 Ų12248%0.47766%0.655SS.*  trans-126.1122.2176.9-46.5178.2000107.7K217 R221K217-I219 HydrophobicContact CD-CD1 3.9Å; K217-I219 HydrophobicContact CD-CG1 4.02Å; K217-I219 HydrophobicContact CG-CD1 4.37Å; K217-I219 HydrophobicContact CG-CG1 3.92Å; I219-R221 HydrophobicContact CG2-CG 3.89Å
220I91.2Very high89.4Confident104 Ų104116.7 Ų116.753%0.53364%0.64SS.*  trans-109.1125.3173-55175000106.8V226I220-V226 HydrophobicContact CG2-CG1 3.79Å; I220-V226 HydrophobicContact CG2-CG2 4.03Å
221R91.9Very high89.2Confident214 Ų214123 Ų12381%0.80866%0.664SS**  trans-132.7135.3178.7-66.3-177.1177.6179.4-2.8108.6I219I219-R221 HydrophobicContact CG2-CG 3.89Å
222G90.3Very high89.1Confident38 Ų38124.7 Ų124.739%0.39267%0.671SS.*  trans-128.7141.5170.100000109.5E224 G225G222-E224 PolarHBondContact O-N 3.48Å; G222-G225 WeakPolarHBondContact CA-O 3.28Å; G222-G225 PolarHBondContact O-N 3.27Å
223N88.9Confident89.1Confident177 Ų177123.1 Ų123.195%0.94767%0.666SS**THydrogen-bonded Turntrans-66.6-30.2-179.7-69.52.3000111.9
224E89.3Confident89Confident187 Ų187120.5 Ų120.587%0.87466%0.656SS**THydrogen-bonded Turntrans-112.813.8-178.9-60.8-178.1171.400112.4G222G222-E224 PolarHBondContact O-N 3.48Å
225G88.8Confident89.1Confident43 Ų43125.3 Ų125.344%0.44367%0.666SS.*  trans105.6-178.9-173.800000113.5G222G222-G225 WeakPolarHBondContact CA-O 3.28Å; G222-G225 PolarHBondContact O-N 3.27Å
226V91.5Very high89.2Confident76 Ų76126.4 Ų126.446%0.46166%0.657SS.*  trans-130.9120.9-177.1179.80000108.6I220 I228I220-V226 HydrophobicContact CG2-CG1 3.79Å; I220-V226 HydrophobicContact CG2-CG2 4.03Å; V226-I228 HydrophobicContact CG1-CG1 4.11Å
227F92.8Very high89Confident181 Ų181126.1 Ų126.179%0.79464%0.643SS**  trans-107.8117.2178.2-60.2-86.8000109.6
228I92.1Very high88.6Confident95 Ų95123.3 Ų123.349%0.48766%0.658SS.*  trans-109.8115.2177.3-56175.4000107.7V226 V233 F235V226-I228 HydrophobicContact CG1-CG1 4.11Å; I228-V233 HydrophobicContact CG2-CG1 3.9Å; I228-V233 HydrophobicContact CG2-CG2 4.03Å; I228-F235 HydrophobicContact CD1-CE1 4.33Å; I228-F235 HydrophobicContact CD1-CZ 4.04Å
229M90.6Very high88.2Confident172 Ų172122.8 Ų122.885%0.84766%0.659SS**  trans-119.4133.4178.3-65.4-170.6-66.400110
230G88.3Confident87.5Confident54 Ų54125.9 Ų125.956%0.55768%0.676SS**  trans-170.2156.7175.300000110.2T232G230-T232 PolarHBondContact O-N 2.89Å
231K88.9Confident86.9Confident213 Ų213125.9 Ų125.993%0.92668%0.676SS**SBendtrans-60.2-34.9171.5-177.2179.1178.1-178.40111.1
232T88.8Confident86.4Confident122 Ų122121.9 Ų121.975%0.74867%0.667SS**SBendtrans-142.8129.9174.1-54.90000107.6G230G230-T232 PolarHBondContact O-N 2.89Å
233V89.6Confident86.1Confident68 Ų68125.4 Ų125.441%0.41268%0.676SS.*  trans-115.3117.5175.3-177.20000106.9I228 F235I228-V233 HydrophobicContact CG2-CG1 3.9Å; I228-V233 HydrophobicContact CG2-CG2 4.03Å; V233-F235 HydrophobicContact CG1-CD2 4.23Å; V233-F235 HydrophobicContact CG1-CE1 4.39Å; V233-F235 HydrophobicContact CG1-CE2 3.47Å; V233-F235 VanDerWaalsContact CG1-CE2 3.47Å; V233-F235 HydrophobicContact CG1-CZ 3.57Å
234E89.4Confident86Confident126 Ų126126.7 Ų126.759%0.58967%0.668SS**  trans-117.6121.9-177.9-171-177.2-168.700110.1R236E234-R236 VanDerWaalsContact CD-NH2 3.28Å; E234-R236 HydrophobicContact CG-CG 4.09Å; E234-R236 IonicContact OE1-CZ 3.25Å; E234-R236 VanDerWaalsContact OE1-CZ 3.25Å; E234-R236 IonicContact OE1-NE 2.71Å; E234-R236 PolarHBondContact OE1-NE 2.86Å; E234-R236 IonicContact OE1-NH2 2.93Å; E234-R236 PolarHBondContact OE1-NH2 3.21Å; E234-R236 IonicContact OE2-CZ 3.37Å; E234-R236 IonicContact OE2-NE 3.23Å; E234-R236 PolarHBondContact OE2-NE 3.36Å; E234-R236 IonicContact OE2-NH2 2.81Å; E234-R236 PolarHBondContact OE2-NH2 3.45Å
235F87.9Confident85.7Confident141 Ų141120.6 Ų120.662%0.61865%0.649SS**  trans-103.6113.6172-60.1-80.4000109.1I228 V233I228-F235 HydrophobicContact CD1-CE1 4.33Å; I228-F235 HydrophobicContact CD1-CZ 4.04Å; V233-F235 HydrophobicContact CG1-CD2 4.23Å; V233-F235 HydrophobicContact CG1-CE1 4.39Å; V233-F235 HydrophobicContact CG1-CE2 3.47Å; V233-F235 VanDerWaalsContact CG1-CE2 3.47Å; V233-F235 HydrophobicContact CG1-CZ 3.57Å
236R85.9Confident85.6Confident202 Ų202127.9 Ų127.976%0.76267%0.672SS**  trans-106.5113.4174.4-64.7-172.5-179.7172.312.5109.5E234E234-R236 VanDerWaalsContact CD-NH2 3.28Å; E234-R236 HydrophobicContact CG-CG 4.09Å; E234-R236 IonicContact OE1-CZ 3.25Å; E234-R236 VanDerWaalsContact OE1-CZ 3.25Å; E234-R236 IonicContact OE1-NE 2.71Å; E234-R236 PolarHBondContact OE1-NE 2.86Å; E234-R236 IonicContact OE1-NH2 2.93Å; E234-R236 PolarHBondContact OE1-NH2 3.21Å; E234-R236 IonicContact OE2-CZ 3.37Å; E234-R236 IonicContact OE2-NE 3.23Å; E234-R236 PolarHBondContact OE2-NE 3.36Å; E234-R236 IonicContact OE2-NH2 2.81Å; E234-R236 PolarHBondContact OE2-NH2 3.45Å
237M80.4Confident85.2Confident120 Ų120131.8 Ų131.859%0.59169%0.69SS**  trans-122.8141.1178.3-59-17572.700109.3G239 I241M237-G239 VanDerWaalsContact C-N 3.3Å; M237-I241 HydrophobicContact CB-CG1 4.14Å; M237-I241 HydrophobicContact CG-CG1 4.26Å; M237-I241 HydrophobicContact SD-CB 4.5Å; M237-I241 HydrophobicContact SD-CD1 4.47Å; M237-I241 HydrophobicContact SD-CG1 3.83Å; M237-I241 HydrophobicContact SD-CG2 4.49Å
238G76.3Confident84.8Confident97 Ų97127.3 Ų127.3100%168%0.681SS**SBendtrans-78.8-13.717900000114.1
239G79.4Confident84.4Confident55 Ų55126.9 Ų126.957%0.56768%0.679SS**SBendtrans-127.9-150.4177.600000111.4M237M237-G239 VanDerWaalsContact C-N 3.3Å
240D75.8Confident84Confident158 Ų158124.2 Ų124.285%0.84567%0.672SS**  trans-69.1147.1-176.1-58.1-33.2000112.5
241I77.9Confident83.7Confident104 Ų104126.8 Ų126.853%0.53367%0.672SS.*  trans-105.6119170.5-56.8-177.6000107.3M237M237-I241 HydrophobicContact CB-CG1 4.14Å; M237-I241 HydrophobicContact CG-CG1 4.26Å; M237-I241 HydrophobicContact SD-CB 4.5Å; M237-I241 HydrophobicContact SD-CD1 4.47Å; M237-I241 HydrophobicContact SD-CG1 3.83Å; M237-I241 HydrophobicContact SD-CG2 4.49Å
242E81.4Confident83.1Confident130 Ų130124.5 Ų124.561%0.60767%0.67SS**  trans-117.5126.1177.5-170.8177-161.400110.2R244E242-R244 VanDerWaalsContact CD-NH2 3.33Å; E242-R244 HydrophobicContact CG-CG 4.05Å; E242-R244 IonicContact OE1-CZ 3.92Å; E242-R244 IonicContact OE1-NE 2.68Å; E242-R244 PolarHBondContact OE1-NE 2.89Å; E242-R244 IonicContact OE1-NH2 2.82Å; E242-R244 PolarHBondContact OE1-NH2 2.89Å; E242-R244 IonicContact OE2-CZ 3.11Å; E242-R244 IonicContact OE2-NE 3.36Å; E242-R244 PolarHBondContact OE2-NE 2.84Å; E242-R244 IonicContact OE2-NH2 3.75Å; E242-R244 PolarHBondContact OE2-NH2 3.31Å
243L84.6Confident82.5Confident113 Ų113121.4 Ų121.459%0.59266%0.663SS**  trans-108.6116.7174.1-57.1175.8000108.3I249L243-I249 HydrophobicContact CB-CD1 3.72Å; L243-I249 WeakPolarHBondContact O-CD1 3.39Å
244R86.8Confident81.4Confident204 Ų204123.7 Ų123.777%0.7768%0.681SS**  trans-119.2133.5176-64.7-171.6179.2-174.25.6109.9E242E242-R244 VanDerWaalsContact CD-NH2 3.33Å; E242-R244 HydrophobicContact CG-CG 4.05Å; E242-R244 IonicContact OE1-CZ 3.92Å; E242-R244 IonicContact OE1-NE 2.68Å; E242-R244 PolarHBondContact OE1-NE 2.89Å; E242-R244 IonicContact OE1-NH2 2.82Å; E242-R244 PolarHBondContact OE1-NH2 2.89Å; E242-R244 IonicContact OE2-CZ 3.11Å; E242-R244 IonicContact OE2-NE 3.36Å; E242-R244 PolarHBondContact OE2-NE 2.84Å; E242-R244 IonicContact OE2-NH2 3.75Å; E242-R244 PolarHBondContact OE2-NH2 3.31Å
245A83.3Confident80.3Confident58 Ų58122.2 Ų122.248%0.47968%0.681SS.*  trans-137.2147.3170.700000109.4S248 I249A245-S248 WeakPolarHBondContact CB-O 3.44Å; A245-I249 HydrophobicContact CB-CD1 4.26Å; A245-I249 HydrophobicContact CB-CG1 3.55Å
246E85.3Confident79.1Confident197 Ų197123.6 Ų123.692%0.92169%0.691SS**SBendtrans-70.2-40.3175.8-66.9-179.6175.500111.6
247N84.6Confident78.2Confident158 Ų158118.8 Ų118.885%0.84568%0.684SS**SBendtrans-103.4-65.1-175.5-71.1-14.8000112.7
248S83.3Confident77Confident87 Ų87117.1 Ų117.161%0.60868%0.684SS**  trans-158155.9-177.562.30000112.3A245A245-S248 WeakPolarHBondContact CB-O 3.44Å
249I83.5Confident76.2Confident86 Ų86116 Ų11644%0.44166%0.658SS.*  trans-116.7116169.2-57.8172000106L243 A245 L251L243-I249 HydrophobicContact CB-CD1 3.72Å; L243-I249 WeakPolarHBondContact O-CD1 3.39Å; A245-I249 HydrophobicContact CB-CD1 4.26Å; A245-I249 HydrophobicContact CB-CG1 3.55Å; I249-L251 HydrophobicContact CG2-CD2 4.27Å; I249-L251 HydrophobicContact CG2-CG 4.29Å
250V81.8Confident74.9Confident115 Ų115118.5 Ų118.570%0.69767%0.667SS**  trans-110.2110179.9-1770000108.8N252V250-N252 HydrophobicContact CG1-CB 4.41Å
251L83.6Confident73.8Confident108 Ų108122.6 Ų122.657%0.56567%0.67SS**  trans-99.488.3173-59.2179.2000108.5I249 G253 V255I249-L251 HydrophobicContact CG2-CD2 4.27Å; I249-L251 HydrophobicContact CG2-CG 4.29Å; L251-G253 PolarHBondContact O-N 3.14Å; L251-V255 HydrophobicContact CB-CG2 3.76Å; L251-V255 HydrophobicContact CD1-CG2 4.13Å
252N75.6Confident72.6Confident166 Ų166122.6 Ų122.689%0.88867%0.669SS**  trans-85.9101.4-178.7-162.8-6.3000110.1V250V250-N252 HydrophobicContact CG1-CB 4.41Å
253G75.3Confident70.8Confident57 Ų57125.9 Ų125.959%0.58869%0.685SS**SBendtrans155.6177.8-177.400000112.3L251 V255L251-G253 PolarHBondContact O-N 3.14Å; G253-V255 PolarHBondContact O-N 3.41Å; G253-V255 VanDerWaalsContact O-N 3.11Å
254S67.1Low68.9Low115 Ų115127.2 Ų127.280%0.80469%0.693SS**  trans-75.199.7170.745.80000109.5M256S254-M256 PolarHBondContact O-N 3.31Å
255V66.6Low67Low95 Ų95122.7 Ų122.758%0.57669%0.692SS**  trans-76.7107174-1770000108.1L251 G253L251-V255 HydrophobicContact CB-CG2 3.76Å; L251-V255 HydrophobicContact CD1-CG2 4.13Å; G253-V255 PolarHBondContact O-N 3.41Å; G253-V255 VanDerWaalsContact O-N 3.11Å
256M63.5Low65.1Low170 Ų170123.9 Ų123.984%0.83770%0.697SS**  trans-102.7113.6173.3-70.8-164.6-68.700110.2S254 S258S254-M256 PolarHBondContact O-N 3.31Å; M256-S258 PolarHBondContact O-N 2.86Å
257V65.8Low63.2Low101 Ų101122 Ų12261%0.61270%0.698SS**  trans-88.9101.8169.2-178.20000108V259V257-V259 PolarHBondContact O-N 3.27Å
258S55.5Low61.3Low85 Ų85118 Ų11859%0.59469%0.694SS**  trans-80.8102.4175.8-178.80000110.2M256 S260M256-S258 PolarHBondContact O-N 2.86Å; S258-S260 PolarHBondContact O-N 2.92Å; S258-S260 PolarHBondContact OG-OG 3.3Å
259V59.3Low59.4Low74 Ų74116.5 Ų116.545%0.44869%0.688SS.*G310 helixtrans-74.5-2.5176.2-162.80000111.4V257 R261 M262V257-V259 PolarHBondContact O-N 3.27Å; V259-R261 PolarHBondContact O-N 2.91Å; V259-M262 HydrophobicContact CG1-CB 3.73Å; V259-M262 HydrophobicContact CG1-CG 3.88Å; V259-M262 HydrophobicContact CG1-SD 3.73Å; V259-M262 WeakPolarHBondContact O-CB 3.48Å; V259-M262 PolarHBondContact O-N 3.34Å
260S52.7Low57.6Low107 Ų107119.6 Ų119.675%0.74871%0.705SS**G310 helixtrans-59.5-20.2-175.2-430000114.3S258S258-S260 PolarHBondContact O-N 2.92Å; S258-S260 PolarHBondContact OG-OG 3.3Å
261R51.3Low55.9Low244 Ų244116.6 Ų116.692%0.92169%0.687SS**G310 helixtrans-100.3-7.2174.4-63.7-169.8-173.9-167.14.1113.9V259V259-R261 PolarHBondContact O-N 2.91Å
262M53.4Low54.3Low104 Ų104121.2 Ų121.251%0.51270%0.698SS.*SBendtrans-75.4126.9166.5-58.4-169.484.200106.6V259 N264V259-M262 HydrophobicContact CG1-CB 3.73Å; V259-M262 HydrophobicContact CG1-CG 3.88Å; V259-M262 HydrophobicContact CG1-SD 3.73Å; V259-M262 WeakPolarHBondContact O-CB 3.48Å; V259-M262 PolarHBondContact O-N 3.34Å; M262-N264 PolarHBondContact O-N 2.74Å
263Q44.9Very low53.3Low199 Ų199117.7 Ų117.793%0.9368%0.675SS**  trans-56.9106179.7-72.4177.1-23.700109.1S265Q263-S265 PolarHBondContact O-N 3.47Å
264N44.3Very low52.2Low142 Ų142120.4 Ų120.476%0.75968%0.676SS**  trans-64.3108164.7-89.8-16.1000106.4M262 S266M262-N264 PolarHBondContact O-N 2.74Å; N264-S266 PolarHBondContact O-N 3.29Å
265S46Very low51.7Low109 Ų109124.6 Ų124.676%0.76268%0.683SS**  trans-61.898.2158.761.20000105.9Q263 V267Q263-S265 PolarHBondContact O-N 3.47Å; S265-V267 PolarHBondContact O-N 3.21Å
266S42.8Very low51.3Low82 Ų82123.3 Ų123.357%0.57369%0.689SS**  trans-49.7129-173.5490000111.3N264 G268 A269N264-S266 PolarHBondContact O-N 3.29Å; S266-G268 PolarHBondContact O-N 3.5Å; S266-A269 PolarHBondContact O-N 3.16Å
267V46.6Very low51Low157 Ų157120.7 Ų120.795%0.95268%0.678SS**THydrogen-bonded Turntrans-35.4106.8153.4177.90000108.6S265S265-V267 PolarHBondContact O-N 3.21Å
268G45.2Very low51.1Low74 Ų74121.2 Ų121.276%0.76368%0.677SS**THydrogen-bonded Turntrans120.5-7.2175.400000117.3S266 N270S266-G268 PolarHBondContact O-N 3.5Å; G268-N270 PolarHBondContact O-N 3.18Å
269A41.7Very low51.8Low57 Ų57121 Ų12147%0.47166%0.663SS.*  trans-74.4117.9166.700000108.5S266 V271S266-A269 PolarHBondContact O-N 3.16Å; A269-V271 HydrophobicContact CB-CG2 3.95Å; A269-V271 WeakPolarHBondContact O-CG2 3.28Å; A269-V271 PolarHBondContact O-N 3.44Å
270N45.9Very low52.6Low150 Ų150122.2 Ų122.280%0.80266%0.66SS**  trans-62.186.8160.8-83.9-31.4000107G268 Y272G268-N270 PolarHBondContact O-N 3.18Å; N270-Y272 PolarHBondContact O-N 3.03Å
271V47.5Very low53.8Low52 Ų52121.3 Ų121.332%0.31564%0.643SS.*  trans-74.995.6-176.2-171.40000106.9A269 F273 Q298A269-V271 HydrophobicContact CB-CG2 3.95Å; A269-V271 WeakPolarHBondContact O-CG2 3.28Å; A269-V271 PolarHBondContact O-N 3.44Å; V271-F273 PolarHBondContact O-N 2.97Å; V271-Q298 PolarHBondContact O-NE2 3.01Å
272Y49.3Very low55Low206 Ų206114.3 Ų114.381%0.80862%0.623SS**  trans-53.9124.8162.1-76-90.8000107.8N270 D274N270-Y272 PolarHBondContact O-N 3.03Å; Y272-D274 VanDerWaalsContact C-N 3.3Å; Y272-D274 PolarHBondContact O-N 2.95Å
273F54.6Low56.2Low92 Ų92109.5 Ų109.540%0.40460%0.6SS.*  trans-68.994.4168.4-83.3-83.4000107V271 E275 Q298V271-F273 PolarHBondContact O-N 2.97Å; F273-E275 PolarHBondContact O-N 2.96Å; F273-Q298 HydrophobicContact CE2-CB 3.94Å; F273-Q298 HydrophobicContact CE2-CG 3.51Å; F273-Q298 HydrophobicContact CZ-CB 4.29Å; F273-Q298 HydrophobicContact CZ-CG 4.02Å
274D52.6Low57.9Low114 Ų114106.5 Ų106.561%0.6159%0.587SS**  trans-75.3120168.3-168.412.8000107.7Y272 G276 L277Y272-D274 VanDerWaalsContact C-N 3.3Å; Y272-D274 PolarHBondContact O-N 2.95Å; D274-G276 PolarHBondContact O-N 3.03Å; D274-L277 PolarHBondContact O-N 3.07Å
275E56.5Low59.5Low203 Ų203100.1 Ų100.195%0.94955%0.553SS**THydrogen-bonded Turntrans-63.6-7.2-169-70.1-165154.800114F273F273-E275 PolarHBondContact O-N 2.96Å
276G57.7Low60.9Low68 Ų68100.6 Ų100.670%0.70156%0.564SS**THydrogen-bonded Turntrans-98-15.5179.300000116.5D274D274-G276 PolarHBondContact O-N 3.03Å
277L57Low62.2Low114 Ų114102 Ų10260%0.59757%0.565SS**  trans-102.7106.3-170.1-143.587.3000112.4D274 R279D274-L277 PolarHBondContact O-N 3.07Å; L277-R279 PolarHBondContact O-N 3.19Å; L277-R279 VanDerWaalsContact O-N 3.16Å
278L68.6Low63.3Low113 Ų11396.5 Ų96.559%0.59254%0.541SS*.  trans-69.2109173.5-61.4174.2000110.1Y280L278-Y280 HydrophobicContact CB-CE2 4Å
279R69.6Low64.7Low80 Ų8095.9 Ų95.930%0.30252%0.522SS..  trans-100140.1176.2-63.3-178.4-177.2132.7-3.4110.5L277 Q294 V295L277-R279 PolarHBondContact O-N 3.19Å; L277-R279 VanDerWaalsContact O-N 3.16Å; R279-Q294 WeakPolarHBondContact O-CA 3.33Å; R279-V295 HydrophobicContact CB-CB 4.37Å; R279-V295 PolarHBondContact O-N 3.19Å
280Y77.2Confident66.4Low100 Ų10097.5 Ų97.539%0.39252%0.522SS..EExtended strand (participates in β ladder)trans-123.3142.6177.5-64.8-91.9000110.9L278 R292 V293 Q294L278-Y280 HydrophobicContact CB-CE2 4Å; Y280-R292 HydrophobicContact CD1-CB 4.34Å; Y280-R292 HydrophobicContact CD1-CG 4.19Å; Y280-V293 CarbonylContact C-O 3.57Å; Y280-V293 VanDerWaalsContact CA-O 3.23Å; Y280-V293 WeakPolarHBondContact CA-O 3.49Å; Y280-Q294 HydrophobicContact CD1-CB 3.97Å; Y280-Q294 HydrophobicContact CE1-CB 3.7Å; Y280-Q294 HydrophobicContact CE1-CG 4.15Å
281K76.3Confident68Low88 Ų8891.6 Ų91.638%0.38349%0.489SS..EExtended strand (participates in β ladder)trans-97.5140.6165-81.2177.8179.2-167.70109.5R292 V293 V295 M300K281-R292 CarbonylContact O-C 3.45Å; K281-R292 VanDerWaalsContact O-CA 3.3Å; K281-R292 WeakPolarHBondContact O-CA 3.48Å; K281-V293 PolarHBondContact N-O 3.25Å; K281-V293 PolarHBondContact O-N 3.24Å; K281-V295 HydrophobicContact CB-CG2 4.24Å; K281-V295 HydrophobicContact CD-CG2 3.94Å; K281-V295 HydrophobicContact CG-CG2 3.59Å; K281-M300 PolarHBondContact NZ-O 3.28Å
282L77.1Confident69.5Low97 Ų9797.2 Ų97.251%0.50851%0.505SS..EExtended strand (participates in β ladder)trans-90.8125.6168.3-172.866.7000108.3L290L282-L290 HydrophobicContact CD1-CB 4.3Å; L282-L290 HydrophobicContact CD2-CD2 4.44Å; L282-L290 HydrophobicContact CG-CD2 4.31Å
283C79.4Confident71.1Confident3 Ų387.7 Ų87.72%0.0247%0.468CS..EExtended strand (participates in β ladder)trans-121.5149.9-176.9-65.70000109.3L290 F291 V293 C302C283-L290 CarbonylContact O-C 3.57Å; C283-L290 WeakPolarHBondContact O-CA 3.32Å; C283-F291 HydrophobicContact CB-CD1 3.86Å; C283-F291 HydrophobicContact CB-CD2 3.97Å; C283-F291 HydrophobicContact CB-CE1 3.42Å; C283-F291 VanDerWaalsContact CB-CE1 3.42Å; C283-F291 HydrophobicContact CB-CE2 3.57Å; C283-F291 HydrophobicContact CB-CG 4.13Å; C283-F291 HydrophobicContact CB-CZ 3.29Å; C283-F291 PolarHBondContact N-O 3.36Å; C283-F291 WeakPolarHBondContact O-CD1 3.43Å; C283-F291 PolarHBondContact O-N 3.41Å; C283-V293 HydrophobicContact CB-CG2 4.41Å; C283-C302 HydrophobicContact CB-CB 3.57Å; C283-C302 WeakPolarHBondContact CB-SG 3.45Å; C283-C302 WeakPolarHBondContact SG-CA 3.37Å; C283-C302 WeakPolarHBondContact SG-CB 3.5Å; C283-C302 CovalentContact SG-SG 2.02Å; C283-C302 PolarHBondContact SG-SG 2.71Å
284M81Confident72.3Confident136 Ų13686.9 Ų86.967%0.6747%0.466SS*.EExtended strand (participates in β ladder)trans-126.3128.7-179.2-167.6170.665.200109T289 L290M284-T289 CarbonylContact C-O 3.58Å; M284-T289 WeakPolarHBondContact CA-O 3.26Å; M284-L290 HydrophobicContact CB-CD2 3.72Å; M284-L290 HydrophobicContact CG-CD2 3.75Å; M284-L290 HydrophobicContact SD-CD2 4.09Å
285C77.2Confident73.6Confident7 Ų782.8 Ų82.85%0.04745%0.445CS..  trans-73.9163.4172.3-60.90000110.5D287 G288 T289 F291 C309C285-D287 WeakPolarHBondContact CB-OD1 3.34Å; C285-D287 PolarHBondContact O-N 3.45Å; C285-G288 PolarHBondContact O-N 3.43Å; C285-T289 WeakPolarHBondContact CB-O 3.36Å; C285-T289 PolarHBondContact N-O 3.03Å; C285-F291 VanDerWaalsContact SG-CE1 3.53Å; C285-C309 VanDerWaalsContact CA-SG 3.51Å; C285-C309 HydrophobicContact CB-CB 3.58Å; C285-C309 WeakPolarHBondContact CB-SG 3.45Å; C285-C309 WeakPolarHBondContact SG-CA 3.23Å; C285-C309 WeakPolarHBondContact SG-CB 3.39Å; C285-C309 CovalentContact SG-SG 2.02Å; C285-C309 PolarHBondContact SG-SG 2.99Å
286A74.1Confident74.6Confident119 Ų11980.2 Ų80.298%0.98343%0.431SS*.THydrogen-bonded Turntrans-64.5-2418000000113.3G288A286-G288 VanDerWaalsContact C-N 3.27Å
287D71.9Confident75.5Confident111 Ų11183.2 Ų83.259%0.59442%0.422SS*.THydrogen-bonded Turntrans-80.8-2.7173.967.5-14.3000113.4C285 T289C285-D287 WeakPolarHBondContact CB-OD1 3.34Å; C285-D287 PolarHBondContact O-N 3.45Å; D287-T289 VanDerWaalsContact CG-OG1 3.25Å; D287-T289 VanDerWaalsContact OD1-CB 3.3Å; D287-T289 WeakPolarHBondContact OD1-CB 3.26Å; D287-T289 PolarHBondContact OD1-N 3.3Å; D287-T289 PolarHBondContact OD1-OG1 3.31Å; D287-T289 PolarHBondContact OD2-OG1 3.07Å
288G68.3Low76Confident43 Ų4383.5 Ų83.544%0.44342%0.42SS..SBendtrans89.21.4-177.200000115C285 A286 L290C285-G288 PolarHBondContact O-N 3.43Å; A286-G288 VanDerWaalsContact C-N 3.27Å; G288-L290 PolarHBondContact O-N 3.17Å
289T74.7Confident76.2Confident60 Ų6085.6 Ų85.637%0.36843%0.432SS..  trans-66.6125.7176.6-60.70000110.7M284 C285 D287M284-T289 CarbonylContact C-O 3.58Å; M284-T289 WeakPolarHBondContact CA-O 3.26Å; C285-T289 WeakPolarHBondContact CB-O 3.36Å; C285-T289 PolarHBondContact N-O 3.03Å; D287-T289 VanDerWaalsContact CG-OG1 3.25Å; D287-T289 VanDerWaalsContact OD1-CB 3.3Å; D287-T289 WeakPolarHBondContact OD1-CB 3.26Å; D287-T289 PolarHBondContact OD1-N 3.3Å; D287-T289 PolarHBondContact OD1-OG1 3.31Å; D287-T289 PolarHBondContact OD2-OG1 3.07Å
290L77.3Confident76.6Confident92 Ų9283 Ų8348%0.48242%0.423SS..EExtended strand (participates in β ladder)trans-94.5136.9178.4-68.7172.8000111.4L282 C283 M284 G288L282-L290 HydrophobicContact CD1-CB 4.3Å; L282-L290 HydrophobicContact CD2-CD2 4.44Å; L282-L290 HydrophobicContact CG-CD2 4.31Å; C283-L290 CarbonylContact O-C 3.57Å; C283-L290 WeakPolarHBondContact O-CA 3.32Å; M284-L290 HydrophobicContact CB-CD2 3.72Å; M284-L290 HydrophobicContact CG-CD2 3.75Å; M284-L290 HydrophobicContact SD-CD2 4.09Å; G288-L290 PolarHBondContact O-N 3.17Å
291F79.6Confident76.6Confident25 Ų2580.1 Ų80.111%0.1142%0.424CS..EExtended strand (participates in β ladder)trans-144.2157.8176.867.1-80.7000112C283 C285 V293 C302 T304 P308 C309C283-F291 HydrophobicContact CB-CD1 3.86Å; C283-F291 HydrophobicContact CB-CD2 3.97Å; C283-F291 HydrophobicContact CB-CE1 3.42Å; C283-F291 VanDerWaalsContact CB-CE1 3.42Å; C283-F291 HydrophobicContact CB-CE2 3.57Å; C283-F291 HydrophobicContact CB-CG 4.13Å; C283-F291 HydrophobicContact CB-CZ 3.29Å; C283-F291 PolarHBondContact N-O 3.36Å; C283-F291 WeakPolarHBondContact O-CD1 3.43Å; C283-F291 PolarHBondContact O-N 3.41Å; C285-F291 VanDerWaalsContact SG-CE1 3.53Å; F291-V293 HydrophobicContact CD2-CG2 3.7Å; F291-V293 HydrophobicContact CE2-CG2 3.43Å; F291-V293 VanDerWaalsContact CE2-CG2 3.43Å; F291-C302 HydrophobicContact CZ-CB 4.2Å; F291-T304 HydrophobicContact CD2-CG2 4.3Å; F291-T304 HydrophobicContact CE2-CG2 3.91Å; F291-P308 HydrophobicContact CB-CB 4.31Å; F291-P308 HydrophobicContact CB-CG 3.64Å; F291-P308 HydrophobicContact CD1-CG 3.62Å; F291-P308 HydrophobicContact CD2-CG 3.48Å; F291-P308 VanDerWaalsContact CD2-CG 3.48Å; F291-P308 HydrophobicContact CE1-CG 4.05Å; F291-P308 HydrophobicContact CE2-CG 3.9Å; F291-P308 HydrophobicContact CG-CB 4.41Å; F291-P308 HydrophobicContact CG-CG 3.3Å; F291-P308 HydrophobicContact CZ-CG 4.16Å; F291-C309 WeakPolarHBondContact CE1-SG 3.46Å
292R79.3Confident76.7Confident170 Ų17079 Ų7964%0.64243%0.426SS*.EExtended strand (participates in β ladder)trans-105.9139.1179.268.8177.7-178.5142.4-1.9112Y280 K281Y280-R292 HydrophobicContact CD1-CB 4.34Å; Y280-R292 HydrophobicContact CD1-CG 4.19Å; K281-R292 CarbonylContact O-C 3.45Å; K281-R292 VanDerWaalsContact O-CA 3.3Å; K281-R292 WeakPolarHBondContact O-CA 3.48Å
293V82.5Confident76.7Confident7 Ų782.4 Ų82.44%0.04244%0.44CS..EExtended strand (participates in β ladder)trans-121.9124.7177.6-1750000109.6Y280 K281 C283 F291 V295 M300 T304Y280-V293 CarbonylContact C-O 3.57Å; Y280-V293 VanDerWaalsContact CA-O 3.23Å; Y280-V293 WeakPolarHBondContact CA-O 3.49Å; K281-V293 PolarHBondContact N-O 3.25Å; K281-V293 PolarHBondContact O-N 3.24Å; C283-V293 HydrophobicContact CB-CG2 4.41Å; F291-V293 HydrophobicContact CD2-CG2 3.7Å; F291-V293 HydrophobicContact CE2-CG2 3.43Å; F291-V293 VanDerWaalsContact CE2-CG2 3.43Å; V293-V295 PolarHBondContact O-N 3.32Å; V293-M300 HydrophobicContact CG1-CE 4.21Å; V293-T304 HydrophobicContact CB-CG2 4.19Å; V293-T304 HydrophobicContact CG1-CG2 3.91Å; V293-T304 HydrophobicContact CG2-CG2 3.38Å
294Q80.3Confident76.6Confident75 Ų7584.6 Ų84.635%0.3545%0.453SS..EExtended strand (participates in β ladder)trans-70.3124.3175-172.2-173.6-10.900110R279 Y280 K296 M300R279-Q294 WeakPolarHBondContact O-CA 3.33Å; Y280-Q294 HydrophobicContact CD1-CB 3.97Å; Y280-Q294 HydrophobicContact CE1-CB 3.7Å; Y280-Q294 HydrophobicContact CE1-CG 4.15Å; Q294-K296 PolarHBondContact O-N 3.17Å; Q294-M300 VanDerWaalsContact O-SD 3.35Å
295V80.2Confident76.1Confident28 Ų2884.6 Ų84.617%0.1747%0.466CS..  trans-81.7108.9179.4-175.70000109.1R279 K281 V293 Y297 M300R279-V295 HydrophobicContact CB-CB 4.37Å; R279-V295 PolarHBondContact O-N 3.19Å; K281-V295 HydrophobicContact CB-CG2 4.24Å; K281-V295 HydrophobicContact CD-CG2 3.94Å; K281-V295 HydrophobicContact CG-CG2 3.59Å; V293-V295 PolarHBondContact O-N 3.32Å; V295-Y297 WeakPolarHBondContact CG1-O 3.49Å; V295-M300 HydrophobicContact CG1-CB 4.45Å
296K77.9Confident76.1Confident149 Ų14991 Ų9165%0.64850%0.501SS*.  trans-94.3-24.7178.4-64.5-175.5179.9-178.60113.7Q294 M300Q294-K296 PolarHBondContact O-N 3.17Å; K296-M300 HydrophobicContact CB-SD 4.37Å
297Y75.1Confident76.1Confident130 Ų13089.8 Ų89.851%0.5148%0.477SS..SBendtrans-150.1162.9-177.654.9-91000111.2V295 M300V295-Y297 WeakPolarHBondContact CG1-O 3.49Å; Y297-M300 HydrophobicContact CD1-SD 4.34Å; Y297-M300 HydrophobicContact CD2-CB 4.09Å; Y297-M300 HydrophobicContact CE1-CB 4.41Å; Y297-M300 HydrophobicContact CE1-CE 4.22Å; Y297-M300 HydrophobicContact CE1-CG 4.1Å; Y297-M300 HydrophobicContact CE1-SD 3.92Å; Y297-M300 HydrophobicContact CE2-CB 3.78Å; Y297-M300 HydrophobicContact CE2-CG 4.12Å; Y297-M300 WeakPolarHBondContact O-CB 3.25Å; Y297-M300 PolarHBondContact O-N 3.02Å
298Q67.7Low76.2Confident120 Ų12087.4 Ų87.456%0.56147%0.468SS*.THydrogen-bonded Turntrans-63.6142.4-178.7-102.516029.500109.9V271 F273 M300V271-Q298 PolarHBondContact O-NE2 3.01Å; F273-Q298 HydrophobicContact CE2-CB 3.94Å; F273-Q298 HydrophobicContact CE2-CG 3.51Å; F273-Q298 HydrophobicContact CZ-CB 4.29Å; F273-Q298 HydrophobicContact CZ-CG 4.02Å; Q298-M300 VanDerWaalsContact C-N 3.26Å; Q298-M300 PolarHBondContact O-N 3.05Å
299N72.9Confident76.5Confident158 Ų15887.5 Ų87.585%0.84546%0.462SS*.THydrogen-bonded Turntrans6416.4-178-56.6-28.6000116.5G301N299-G301 PolarHBondContact O-N 3.3Å
300M77.9Confident76Confident25 Ų2586.6 Ų86.612%0.12346%0.464CS..  trans-60125.5171.8-171173.4-168.500111.4K281 V293 Q294 V295 K296 Y297 Q298K281-M300 PolarHBondContact NZ-O 3.28Å; V293-M300 HydrophobicContact CG1-CE 4.21Å; Q294-M300 VanDerWaalsContact O-SD 3.35Å; V295-M300 HydrophobicContact CG1-CB 4.45Å; K296-M300 HydrophobicContact CB-SD 4.37Å; Y297-M300 HydrophobicContact CD1-SD 4.34Å; Y297-M300 HydrophobicContact CD2-CB 4.09Å; Y297-M300 HydrophobicContact CE1-CB 4.41Å; Y297-M300 HydrophobicContact CE1-CE 4.22Å; Y297-M300 HydrophobicContact CE1-CG 4.1Å; Y297-M300 HydrophobicContact CE1-SD 3.92Å; Y297-M300 HydrophobicContact CE2-CB 3.78Å; Y297-M300 HydrophobicContact CE2-CG 4.12Å; Y297-M300 WeakPolarHBondContact O-CB 3.25Å; Y297-M300 PolarHBondContact O-N 3.02Å; Q298-M300 VanDerWaalsContact C-N 3.26Å; Q298-M300 PolarHBondContact O-N 3.05Å
301G77.3Confident75Confident40 Ų4088.7 Ų88.741%0.41248%0.481SS..  trans-78.9-167.6175.900000113.3N299 Q303N299-G301 PolarHBondContact O-N 3.3Å; G301-Q303 PolarHBondContact O-N 3.32Å
302C79.3Confident73.5Confident63 Ų6392.2 Ų92.243%0.42652%0.515SS..SBendtrans-82.819.1176.9-72.90000114.1C283 F291C283-C302 HydrophobicContact CB-CB 3.57Å; C283-C302 WeakPolarHBondContact CB-SG 3.45Å; C283-C302 WeakPolarHBondContact SG-CA 3.37Å; C283-C302 WeakPolarHBondContact SG-CB 3.5Å; C283-C302 CovalentContact SG-SG 2.02Å; C283-C302 PolarHBondContact SG-SG 2.71Å; F291-C302 HydrophobicContact CZ-CB 4.2Å
303Q77.3Confident71.6Confident170 Ų17096.6 Ų96.679%0.79454%0.542SS*.  trans-81.2124.7-179.1-69178.6-9.200110.3G301G301-Q303 PolarHBondContact O-N 3.32Å
304T76Confident71.1Confident48 Ų48101.1 Ų101.129%0.29457%0.567SS.*  trans-122.1152.8176.754.70000109.9F291 V293 D306 P308F291-T304 HydrophobicContact CD2-CG2 4.3Å; F291-T304 HydrophobicContact CE2-CG2 3.91Å; V293-T304 HydrophobicContact CB-CG2 4.19Å; V293-T304 HydrophobicContact CG1-CG2 3.91Å; V293-T304 HydrophobicContact CG2-CG2 3.38Å; T304-D306 VanDerWaalsContact C-N 3.33Å; T304-D306 WeakPolarHBondContact CB-O 3.23Å; T304-D306 PolarHBondContact OG1-O 3.4Å; T304-P308 WeakPolarHBondContact OG1-CD 3.47Å
305S72.1Confident70.6Confident136 Ų136102.4 Ų102.495%0.95158%0.578SS**SBendtrans-66-37.1176.350.20000112.3
306D75.7Confident70.1Confident143 Ų143106.6 Ų106.677%0.76560%0.601SS**SBendtrans-98.8105.1165.9-103.1-34.5000107.5T304 P308T304-D306 VanDerWaalsContact C-N 3.33Å; T304-D306 WeakPolarHBondContact CB-O 3.23Å; T304-D306 PolarHBondContact OG1-O 3.4Å; D306-P308 WeakPolarHBondContact O-CD 3.48Å
307N75.5Confident69.6Low92 Ų92104.1 Ų104.149%0.49260%0.598SS.*  trans-78.4106.6179.4-179.614.7000109.9C309 G310N307-C309 PolarHBondContact O-N 3.4Å; N307-C309 VanDerWaalsContact OD1-CB 3.23Å; N307-C309 WeakPolarHBondContact OD1-CB 3.37Å; N307-C309 PolarHBondContact OD1-N 3.49Å; N307-G310 PolarHBondContact ND2-O 3.33Å; N307-G310 PolarHBondContact O-N 3.15Å
308P73.9Confident69.3Low61 Ų61102.4 Ų102.440%0.39660%0.603SS.*THydrogen-bonded Turntrans-71.5-11.2179.831.5-33.8000112.6F291 T304 D306 G310F291-P308 HydrophobicContact CB-CB 4.31Å; F291-P308 HydrophobicContact CB-CG 3.64Å; F291-P308 HydrophobicContact CD1-CG 3.62Å; F291-P308 HydrophobicContact CD2-CG 3.48Å; F291-P308 VanDerWaalsContact CD2-CG 3.48Å; F291-P308 HydrophobicContact CE1-CG 4.05Å; F291-P308 HydrophobicContact CE2-CG 3.9Å; F291-P308 HydrophobicContact CG-CB 4.41Å; F291-P308 HydrophobicContact CG-CG 3.3Å; F291-P308 HydrophobicContact CZ-CG 4.16Å; T304-P308 WeakPolarHBondContact OG1-CD 3.47Å; D306-P308 WeakPolarHBondContact O-CD 3.48Å; P308-G310 PolarHBondContact O-N 3.44Å
309C73.3Confident69.4Low46 Ų46101.3 Ų101.331%0.31161%0.606SS.*THydrogen-bonded Turntrans-80.53.4179.3-51.60000114C285 F291 N307C285-C309 VanDerWaalsContact CA-SG 3.51Å; C285-C309 HydrophobicContact CB-CB 3.58Å; C285-C309 WeakPolarHBondContact CB-SG 3.45Å; C285-C309 WeakPolarHBondContact SG-CA 3.23Å; C285-C309 WeakPolarHBondContact SG-CB 3.39Å; C285-C309 CovalentContact SG-SG 2.02Å; C285-C309 PolarHBondContact SG-SG 2.99Å; F291-C309 WeakPolarHBondContact CE1-SG 3.46Å; N307-C309 PolarHBondContact O-N 3.4Å; N307-C309 VanDerWaalsContact OD1-CB 3.23Å; N307-C309 WeakPolarHBondContact OD1-CB 3.37Å; N307-C309 PolarHBondContact OD1-N 3.49Å
310G65.8Low69.1Low41 Ų4197.2 Ų97.242%0.42359%0.589SS.*  trans68.6164-174.300000113.2N307 P308 A312N307-G310 PolarHBondContact ND2-O 3.33Å; N307-G310 PolarHBondContact O-N 3.15Å; P308-G310 PolarHBondContact O-N 3.44Å; G310-A312 PolarHBondContact O-N 3.06Å
311T55.5Low68.4Low136 Ų136102.8 Ų102.883%0.83463%0.625SS**  trans-65.8117.2167.141.40000108.3H313T311-H313 PolarHBondContact O-N 3.1Å
312A47.9Very low67.7Low99 Ų99108 Ų10882%0.81864%0.643SS**  trans-52.2127.3169.300000109.3G310G310-A312 PolarHBondContact O-N 3.06Å
313H40Very low66.6Low261 Ų261112.1 Ų112.1100%1.20866%0.662SS**  trans-69.90165.5-90.6-64.6000110.6T311T311-H313 PolarHBondContact O-N 3.1Å

Retrieved 313 of 313 residues in 1354.2 ms (Link to these results)