A0A077Z1G2_TRITR Loading...

TATA box binding protein 2

AlphaFold DB , UniProt , Accession A0A077Z1G2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 293 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
1M32.7Very low41.6Very low238 Ų238111.2 Ų111.2100%1.17254%0.541SS*.  0111.80-71.4167.385.600107.7Q3M1-Q3 PolarHBondContact O-N 3.1Å
2S36.3Very low42.1Very low120 Ų120103.1 Ų103.184%0.83950%0.501SS*.PPolyproline II helixtrans-57.6127.9176.8168.20000109.9
3Q37.6Very low42.4Very low119 Ų11999.4 Ų99.456%0.55649%0.485SS*.PPolyproline II helixtrans-66.4136.5176.8-70.2-162.8-0.200109.5M1 K5 T9M1-Q3 PolarHBondContact O-N 3.1Å; Q3-K5 PolarHBondContact O-N 3.47Å; Q3-T9 PolarHBondContact OE1-OG1 3.07Å
4P39.4Very low43.1Very low51 Ų5194.4 Ų94.433%0.33147%0.472SS..PPolyproline II helixtrans-60.1125179.420.2-27.3000109.7Y6 Y7 I122P4-Y6 HydrophobicContact CB-CD2 4.45Å; P4-Y6 PolarHBondContact O-N 3.27Å; P4-Y7 PolarHBondContact O-N 3.13Å; P4-I122 HydrophobicContact CB-CD1 4.07Å; P4-I122 HydrophobicContact CG-CD1 3.49Å; P4-I122 VanDerWaalsContact CG-CD1 3.49Å
5K49.2Very low43.8Very low188 Ų18889.8 Ų89.882%0.81745%0.45SS*.THydrogen-bonded Turntrans-52.1-20.7-179-69.5-175.5176.9-176.90113.7Q3 Y7Q3-K5 PolarHBondContact O-N 3.47Å; K5-Y7 VanDerWaalsContact C-N 3.34Å; K5-Y7 PolarHBondContact O-N 3.18Å
6Y47.7Very low44.5Very low67 Ų6784.4 Ų84.426%0.26342%0.423SS..THydrogen-bonded Turntrans-81.3-7.6-173-54.8-84.4000114.4P4 E200 I232 F291P4-Y6 HydrophobicContact CB-CD2 4.45Å; P4-Y6 PolarHBondContact O-N 3.27Å; Y6-E200 HydrophobicContact CD2-CG 4.47Å; Y6-E200 HydrophobicContact CE2-CG 3.92Å; Y6-E200 VanDerWaalsContact CE2-OE1 3.3Å; Y6-E200 WeakPolarHBondContact CE2-OE1 3.39Å; Y6-E200 WeakPolarHBondContact CE2-OE2 3.28Å; Y6-E200 VanDerWaalsContact CZ-CD 3.47Å; Y6-E200 VanDerWaalsContact OH-CD 3.28Å; Y6-E200 PolarHBondContact OH-OE1 3.11Å; Y6-I232 VanDerWaalsContact CB-CD1 3.47Å; Y6-I232 HydrophobicContact CD1-CD1 4.33Å; Y6-I232 HydrophobicContact CG-CD1 3.84Å; Y6-F291 WeakPolarHBondContact O-CE2 2.77Å
7Y44.4Very low44.8Very low15 Ų1582.2 Ų82.26%0.05942%0.417CS..  trans-135.1103.5169.2-66.7-64.7000107.8P4 K5 T9 I12 I122 I232 A234 G288P4-Y7 PolarHBondContact O-N 3.13Å; K5-Y7 VanDerWaalsContact C-N 3.34Å; K5-Y7 PolarHBondContact O-N 3.18Å; Y7-T9 PolarHBondContact O-N 3.34Å; Y7-I12 HydrophobicContact CD1-CD1 3.54Å; Y7-I12 HydrophobicContact CE1-CD1 4.25Å; Y7-I12 HydrophobicContact CG-CD1 4.01Å; Y7-I122 HydrophobicContact CD2-CD1 4.36Å; Y7-I122 HydrophobicContact CE2-CD1 4.43Å; Y7-I122 HydrophobicContact CE2-CG1 4.47Å; Y7-I232 HydrophobicContact CE2-CB 3.9Å; Y7-I232 HydrophobicContact CE2-CD1 4.31Å; Y7-I232 HydrophobicContact CE2-CG2 3.39Å; Y7-I232 VanDerWaalsContact OH-C 3.29Å; Y7-I232 WeakPolarHBondContact OH-CB 3.22Å; Y7-I232 WeakPolarHBondContact OH-CG2 3.04Å; Y7-I232 PolarHBondContact OH-O 3.22Å; Y7-I232 VanDerWaalsContact OH-O 3.06Å; Y7-A234 HydrophobicContact CE2-CB 4.24Å; Y7-G288 PolarHBondContact OH-O 2.86Å
8Q45.5Very low45.2Very low96 Ų9688 Ų8845%0.44943%0.433SS..  trans-61.796.6158.7-84.2179.9-11.400106.4Q10 R11 I12Q8-Q10 PolarHBondContact O-N 3.34Å; Q8-R11 HydrophobicContact CB-CB 4.39Å; Q8-R11 HydrophobicContact CB-CG 4.23Å; Q8-R11 PolarHBondContact O-N 3.49Å; Q8-I12 PolarHBondContact O-N 3.19Å
9T39.7Very low45.5Very low32 Ų3284.3 Ų84.320%0.19642%0.415CS..Hα-helixtrans-47.9-33.3175.4-53.70000110.6Q3 Y7 R11 I12 N13Q3-T9 PolarHBondContact OE1-OG1 3.07Å; Y7-T9 PolarHBondContact O-N 3.34Å; T9-R11 PolarHBondContact O-N 3.08Å; T9-I12 PolarHBondContact O-N 2.72Å; T9-N13 VanDerWaalsContact O-CB 3.29Å; T9-N13 WeakPolarHBondContact O-CB 3.32Å; T9-N13 PolarHBondContact O-N 3.43Å; T9-N13 PolarHBondContact O-ND2 2.94Å; T9-N13 PolarHBondContact O-OD1 3.27Å
10Q40.4Very low45.7Very low158 Ų15883.1 Ų83.174%0.73841%0.413SS*.Hα-helixtrans-57.4-40.4174.1-64.3179-8.900114.3Q8 G14Q8-Q10 PolarHBondContact O-N 3.34Å; Q10-G14 PolarHBondContact O-N 3.43Å
11R44.6Very low45.5Very low139 Ų13983.8 Ų83.853%0.52542%0.423SS..Hα-helixtrans-78.7-36.6-178.7-72-170.9-177.3178.63112.7Q8 T9 N13 G14 L15Q8-R11 HydrophobicContact CB-CB 4.39Å; Q8-R11 HydrophobicContact CB-CG 4.23Å; Q8-R11 PolarHBondContact O-N 3.49Å; T9-R11 PolarHBondContact O-N 3.08Å; R11-N13 VanDerWaalsContact C-N 3.34Å; R11-G14 PolarHBondContact O-N 3.07Å; R11-L15 PolarHBondContact O-N 2.91Å
12I47.6Very low45.7Very low14 Ų1475.8 Ų75.87%0.07240%0.395CS..Hα-helixtrans-66.7-41.5173.8-66.3175.5000109.9Y7 Q8 T9 G14 L15 I16 L120 I286Y7-I12 HydrophobicContact CD1-CD1 3.54Å; Y7-I12 HydrophobicContact CE1-CD1 4.25Å; Y7-I12 HydrophobicContact CG-CD1 4.01Å; Q8-I12 PolarHBondContact O-N 3.19Å; T9-I12 PolarHBondContact O-N 2.72Å; I12-G14 VanDerWaalsContact C-N 3.27Å; I12-G14 PolarHBondContact O-N 2.98Å; I12-L15 WeakPolarHBondContact O-CB 3.5Å; I12-L15 PolarHBondContact O-N 3.01Å; I12-L15 VanDerWaalsContact O-N 3.15Å; I12-I16 HydrophobicContact CG2-CD1 3.83Å; I12-I16 HydrophobicContact CG2-CG1 4.39Å; I12-I16 WeakPolarHBondContact O-CG1 3.42Å; I12-I16 PolarHBondContact O-N 3.4Å; I12-L120 HydrophobicContact CB-CD1 4.45Å; I12-L120 HydrophobicContact CD1-CD1 3.73Å; I12-L120 HydrophobicContact CG2-CD1 3.95Å; I12-I286 HydrophobicContact CD1-CD1 4Å; I12-I286 HydrophobicContact CG1-CD1 4.49Å; I12-I286 HydrophobicContact CG2-CD1 3.57Å
13N46.2Very low45.5Very low55 Ų5577.5 Ų77.529%0.29440%0.395SS..Hα-helixtrans-60.4-38.1173.1-70.3-11.7000111.6T9 R11 I16 S17T9-N13 VanDerWaalsContact O-CB 3.29Å; T9-N13 WeakPolarHBondContact O-CB 3.32Å; T9-N13 PolarHBondContact O-N 3.43Å; T9-N13 PolarHBondContact O-ND2 2.94Å; T9-N13 PolarHBondContact O-OD1 3.27Å; R11-N13 VanDerWaalsContact C-N 3.34Å; N13-I16 PolarHBondContact O-N 3.41Å; N13-S17 WeakPolarHBondContact O-CB 3.39Å; N13-S17 PolarHBondContact O-N 3.05Å; N13-S17 PolarHBondContact O-OG 3.38Å
14G52.2Low45.4Very low29 Ų2976.9 Ų76.930%0.29940%0.403SS..Hα-helixtrans-67.7-29.7174.400000114.8Q10 R11 I12 S17 R18Q10-G14 PolarHBondContact O-N 3.43Å; R11-G14 PolarHBondContact O-N 3.07Å; I12-G14 VanDerWaalsContact C-N 3.27Å; I12-G14 PolarHBondContact O-N 2.98Å; G14-S17 WeakPolarHBondContact CA-OG 3.25Å; G14-S17 PolarHBondContact O-OG 3.24Å; G14-R18 WeakPolarHBondContact O-CG 3.4Å
15L54.1Low45Very low26 Ų2677.4 Ų77.414%0.13640%0.403CS..Hα-helixtrans-72.1-44.7170.6-95.4155000110.9R11 I12 S17 R18R11-L15 PolarHBondContact O-N 2.91Å; I12-L15 WeakPolarHBondContact O-CB 3.5Å; I12-L15 PolarHBondContact O-N 3.01Å; I12-L15 VanDerWaalsContact O-N 3.15Å; L15-S17 VanDerWaalsContact C-N 3.32Å; L15-S17 PolarHBondContact O-N 3.01Å; L15-R18 PolarHBondContact O-N 3.32Å
16I54Low44.1Very low4 Ų475.3 Ų75.32%0.02140%0.401CS..Hα-helixtrans-65.6-36.8179.1-65.3169.1000111I12 N13 R18 L19 I118 L238 I284I12-I16 HydrophobicContact CG2-CD1 3.83Å; I12-I16 HydrophobicContact CG2-CG1 4.39Å; I12-I16 WeakPolarHBondContact O-CG1 3.42Å; I12-I16 PolarHBondContact O-N 3.4Å; N13-I16 PolarHBondContact O-N 3.41Å; I16-R18 PolarHBondContact O-N 3.12Å; I16-L19 WeakPolarHBondContact O-CB 3.48Å; I16-L19 PolarHBondContact O-N 3.4Å; I16-I118 HydrophobicContact CB-CD1 4.35Å; I16-I118 HydrophobicContact CD1-CD1 4.24Å; I16-I118 HydrophobicContact CD1-CG2 4.3Å; I16-I118 HydrophobicContact CG2-CD1 3.71Å; I16-L238 HydrophobicContact CG2-CD1 4.32Å; I16-L238 HydrophobicContact CG2-CD2 3.66Å; I16-I284 HydrophobicContact CG1-CD1 4.41Å
17S50.6Low43.2Very low46 Ų4676.8 Ų76.832%0.32242%0.421SS..Hα-helixtrans-65.3-26.217865.70000113.1N13 G14 L15 L19 V20N13-S17 WeakPolarHBondContact O-CB 3.39Å; N13-S17 PolarHBondContact O-N 3.05Å; N13-S17 PolarHBondContact O-OG 3.38Å; G14-S17 WeakPolarHBondContact CA-OG 3.25Å; G14-S17 PolarHBondContact O-OG 3.24Å; L15-S17 VanDerWaalsContact C-N 3.32Å; L15-S17 PolarHBondContact O-N 3.01Å; S17-L19 VanDerWaalsContact C-N 3.32Å; S17-V20 PolarHBondContact O-N 2.86Å
18R51.8Low42.3Very low187 Ų18779.3 Ų79.371%0.70645%0.451SS*.Hα-helixtrans-74.2-22.9173.3-67.6178.5-169.1-170.91.3113.3G14 L15 I16G14-R18 WeakPolarHBondContact O-CG 3.4Å; L15-R18 PolarHBondContact O-N 3.32Å; I16-R18 PolarHBondContact O-N 3.12Å
19L50.5Low41.5Very low17 Ų1783.4 Ų83.49%0.08947%0.47CS..THydrogen-bonded Turntrans-79.9-8.6176-58.5175.3000112.2I16 S17 L247 W267 I278I16-L19 WeakPolarHBondContact O-CB 3.48Å; I16-L19 PolarHBondContact O-N 3.4Å; S17-L19 VanDerWaalsContact C-N 3.32Å; L19-L247 HydrophobicContact CD2-CD1 3.49Å; L19-L247 VanDerWaalsContact CD2-CD1 3.49Å; L19-L247 HydrophobicContact CD2-CD2 3.69Å; L19-L247 HydrophobicContact CD2-CG 4.18Å; L19-W267 HydrophobicContact CD2-CE3 4.09Å; L19-W267 HydrophobicContact CD2-CH2 4.27Å; L19-W267 HydrophobicContact CD2-CZ3 3.89Å; L19-I278 HydrophobicContact CD1-CD1 3.61Å; L19-I278 HydrophobicContact CD2-CD1 4.33Å
20V48.9Very low40.8Very low61 Ų6188.4 Ų88.437%0.3750%0.496SS..SBendtrans-89116.1172.6-175.20000107.5S17 A22 F240S17-V20 PolarHBondContact O-N 2.86Å; V20-A22 PolarHBondContact O-N 3.04Å; V20-F240 HydrophobicContact CG2-CZ 3.81Å
21P41.6Very low40.3Very low97 Ų9787.8 Ų87.863%0.6350%0.498SS*.  trans-57.7127178.2-20.731000110.6N23P21-N23 PolarHBondContact O-N 3.46Å
22A38.4Very low39.3Very low71 Ų7191.8 Ų91.859%0.58751%0.513SS*.THydrogen-bonded Turntrans-70.5-7.1177.600000113.8V20V20-A22 PolarHBondContact O-N 3.04Å
23N31Very low38.2Very low156 Ų156101.4 Ų101.483%0.83455%0.55SS*.THydrogen-bonded Turntrans-116.734-165.3-72.31.8000115.7P21P21-N23 PolarHBondContact O-N 3.46Å
24S35Very low37.2Very low105 Ų105107.6 Ų107.673%0.73458%0.582SS**SBendtrans-10521.8170.768.70000114.1
25I32.3Very low35.9Very low63 Ų63108.7 Ų108.732%0.32359%0.593SS.*  trans-143.972.9-178.1-47.8176.2000109.2V46I25-V46 VanDerWaalsContact CD1-C 3.49Å; I25-V46 WeakPolarHBondContact CD1-O 3.38Å
26D29.3Very low34.5Very low144 Ų144114.5 Ų114.577%0.7762%0.624SS**  trans-161.5146.7141.5-122.1-19.1000113.3
27S29.4Very low33.1Very low97 Ų97120.6 Ų120.668%0.67866%0.661SS**  trans18.8118.4157.242.10000118.4
28G26.1Very low32Very low68 Ų68125.1 Ų125.170%0.70169%0.686SS**  82.5113.871.400000110.5
29Q27.7Very low30.7Very low183 Ų183121.1 Ų121.186%0.85569%0.687SS**  trans93.9117.1174.3-64.3-179.1-36.600118.1
30N25.3Very low30Very low136 Ų136127.5 Ų127.573%0.72772%0.72SS**  trans74.9142147.8-62.7-13.4000119.8
31D29.3Very low29Very low146 Ų146129.9 Ų129.978%0.78174%0.737SS**  trans85.498.8156.8-57.1-29.7000119.3
32R23.5Very low28.5Very low223 Ų223133.3 Ų133.384%0.84274%0.744SS**SBendtrans16.8129.4130.9-66.1179.3173.8168.3-1.3116.4
33Y24.4Very low28.1Very low215 Ų215134.3 Ų134.384%0.84376%0.762SS**  trans78.693.6173.9-59.5-87.6000115.5
34L26.1Very low27.9Very low186 Ų186135 Ų13597%0.97476%0.757SS**  trans-174.5137.2148.5-101145.5000112.8
35G24.1Very low27.6Very low51 Ų51138.4 Ų138.453%0.52676%0.759SS.*  trans-77.6145-168.700000117
36N24.6Very low27.5Very low148 Ų148139 Ų13979%0.79177%0.765SS**  trans62.687.7145.6-60.7-0.4000118R243N36-R243 PolarHBondContact O-NH2 3.19Å
37V25Very low27.4Very low133 Ų133136.8 Ų136.881%0.80676%0.757SS**  trans-76.6139.3161.4175.40000110.5
38V28Very low27.4Very low140 Ų140136.1 Ų136.185%0.84875%0.748SS**  trans-124108.5153.6179.50000107.3
39S25.1Very low27.5Very low103 Ų103138.5 Ų138.572%0.7274%0.744SS**  trans-78.7138.7175.946.70000111.7
40I34.3Very low27.5Very low152 Ų152135 Ų13578%0.77974%0.737SS**  trans-116.2134.1163.7-56.6175.4000106.9
41P28.1Very low27.8Very low111 Ų111135.4 Ų135.472%0.72174%0.739SS**SBendtrans-72.6150.7178.332.1-32.9000109.7
42Q31.9Very low27.8Very low169 Ų169134.1 Ų134.179%0.7973%0.732SS**SBendtrans96.165.1-179.7-50.9-176.2-1.300116.6K44Q42-K44 VanDerWaalsContact C-N 3.31Å; Q42-K44 PolarHBondContact O-N 3.38Å
43G29.7Very low28.1Very low92 Ų92133.9 Ų133.995%0.94874%0.737SS**  52.616.5123.900000122
44K27.1Very low28.2Very low170 Ų170128.4 Ų128.474%0.73973%0.726SS**  trans-113.6111.4-178.8-66.2-178.3-179.1-178.70111.3Q42Q42-K44 VanDerWaalsContact C-N 3.31Å; Q42-K44 PolarHBondContact O-N 3.38Å
45K29Very low28.2Very low176 Ų176125.4 Ų125.477%0.76571%0.709SS**  trans-87.8133.7168.1-78.8-175.4174.6-176.20109.5
46V29.2Very low28.2Very low75 Ų75129.7 Ų129.746%0.45572%0.716SS.*  trans-130.399.8-178.9179.60000110.4I25I25-V46 VanDerWaalsContact CD1-C 3.49Å; I25-V46 WeakPolarHBondContact CD1-O 3.38Å
47T26.6Very low28.4Very low98 Ų98127.2 Ų127.260%0.60171%0.706SS**  trans-83.8134.4-179.3-40.10000111.6
48V29.8Very low28.5Very low83 Ų83127 Ų12750%0.50370%0.699SS.*  trans-109.6113.1175.1-179.30000109.5
49I28.2Very low28.5Very low119 Ų119128.6 Ų128.661%0.6170%0.697SS**  trans-91126.6-179.4-57.7172.4000109.3N51I49-N51 PolarHBondContact O-N 3.35Å; I49-N51 VanDerWaalsContact O-N 3.09Å
50P27.9Very low28.7Very low110 Ų110129.5 Ų129.571%0.71470%0.698SS**THydrogen-bonded Turntrans-71.9-3.3-169.9-15.929.4000116.4
51N32.9Very low28.5Very low143 Ų143127 Ų12777%0.76569%0.694SS**THydrogen-bonded Turntrans-106.68.2-163.8-71.3-11.2000115.5I49I49-N51 PolarHBondContact O-N 3.35Å; I49-N51 VanDerWaalsContact O-N 3.09Å
52L29Very low28.8Very low119 Ų119130.5 Ų130.562%0.62370%0.701SS**  trans-124.4127.2177.8-68.4166.5000110.2T54L52-T54 PolarHBondContact O-N 3.16Å
53K29Very low28.7Very low219 Ų219129.8 Ų129.895%0.95270%0.702SS**SBendtrans-65.626178.1-70.4177176.7171.80113.9
54T25.8Very low28.6Very low99 Ų99129.6 Ų129.661%0.60769%0.692SS**SBendtrans-159127.7-174.118.20000109.1L52 Q56L52-T54 PolarHBondContact O-N 3.16Å; T54-Q56 PolarHBondContact O-N 2.87Å
55I26.6Very low28.7Very low123 Ų123128.5 Ų128.563%0.63169%0.693SS**  trans-76114.3171.4-60.3173.5000107.8
56Q25.1Very low28.6Very low142 Ų142125.8 Ų125.866%0.66469%0.691SS**  trans-108.7125.7167.5-70.7-166.8-1800109.2T54T54-Q56 PolarHBondContact O-N 2.87Å
57V28.1Very low28.5Very low95 Ų95126.3 Ų126.358%0.57670%0.698SS**  trans-94.1107.3173.3-179.70000107.6
58I27.7Very low28.6Very low130 Ų130129.5 Ų129.567%0.66771%0.71SS**  trans-96.6121.8174.8-57.5173.9000108.2V60I58-V60 HydrophobicContact CG2-CG2 4.34Å
59Q27Very low28.5Very low173 Ų173129.5 Ų129.581%0.80872%0.719SS**  trans-85.2112.8174-175.1170.9-67.400108.7
60V30.3Very low28.4Very low122 Ų122129 Ų12974%0.73973%0.726SS**  trans-98.5115.4172.6-175.20000108.5I58I58-V60 HydrophobicContact CG2-CG2 4.34Å
61S28.6Very low28.4Very low100 Ų100129.7 Ų129.770%0.69973%0.728SS**  trans-81.3122.8170.955.70000109.9N63S61-N63 PolarHBondContact O-N 3Å
62Q34.6Very low28.2Very low184 Ų184126.8 Ų126.886%0.8672%0.719SS**  trans-89.298.3168.3-73.2-176.9-13.800109.3
63N29.5Very low28.3Very low153 Ų153131.8 Ų131.882%0.81873%0.731SS**  trans-106145.4151.6-81.6-9.1000107.1S61S61-N63 PolarHBondContact O-N 3Å
64A29.5Very low28.4Very low89 Ų89125 Ų12574%0.73672%0.716SS**  trans81.6135.417900000116.2
65I29.2Very low28.7Very low147 Ų147128.5 Ų128.575%0.75473%0.731SS**  cis-165140.43.4-101.7159.4000105.6
66T26.3Very low28.9Very low119 Ų119126.5 Ų126.573%0.7374%0.741SS**  29.9136.4129.6-22.30000116.9
67S27.1Very low29.1Very low85 Ų85126.1 Ų126.159%0.59475%0.749SS**  cis173.2172.516.341.40000108.6
68L28Very low29.3Very low166 Ų166130.2 Ų130.287%0.86976%0.761SS**  trans81.9135.3161-56.3146.7000115.8
69A27.4Very low29.5Very low82 Ų82135.2 Ų135.268%0.67877%0.772SS**  cis-164.1150-5.500000109
70S26.8Very low29.6Very low108 Ų108133.1 Ų133.176%0.75577%0.773SS**  trans7.6139.8140.9-32.90000118.2
71T28.9Very low29.9Very low125 Ų125135.6 Ų135.677%0.76778%0.781SS**  178.1126.357.4250000106.7
72S28.7Very low30.1Very low82 Ų82141.9 Ų141.957%0.57379%0.789SS**  84.1146.486.578.90000117.6
73Y29.5Very low29.9Very low224 Ų224139.2 Ų139.288%0.87879%0.787SS**  trans83.6138.2170.9-54.4-72.8000117.5
74A32.7Very low30.1Very low77 Ų77143 Ų14364%0.63679%0.792SS**  cis-169.1150.8-11.400000108.6
75N31.1Very low30.2Very low172 Ų172143.5 Ų143.592%0.9280%0.796SS**  trans52.1128.5146.4-64.5-9.1000122.2
76G30.7Very low30.7Very low81 Ų81143.2 Ų143.284%0.83580%0.8SS**  trans170.780.3162.700000112.5
77T30.6Very low31.2Very low135 Ų135146.3 Ų146.383%0.82881%0.807SS**  trans-50.5134.8173.638.40000114.7
78E32.2Very low31.4Very low180 Ų180148.2 Ų148.284%0.84182%0.817SS**  -174.9114127.7-103175.3177.900114.9
79R31.6Very low31.8Very low235 Ų235148.5 Ų148.589%0.88782%0.819SS**  trans35130.6146.7-58.3-175.1-178.8-164.60.4123
80P29Very low32.3Very low129 Ų129149.6 Ų149.684%0.83882%0.821SS**  trans-100.8147.9174.738-29.8000113.9
81I35.9Very low32.4Very low175 Ų175150.1 Ų150.190%0.89782%0.824SS**  trans-108.1130.4170-60.7174.4000109.2
82R32.3Very low32.8Very low232 Ų232151.2 Ų151.288%0.87583%0.83SS**PPolyproline II helixtrans-67.2148.5-176.3-69.6178.9175-167-1.6113.8
83P31.1Very low32.9Very low127 Ų127151.6 Ų151.683%0.82584%0.838SS**PPolyproline II helixtrans-98.3148.315530.2-19.1000112.6
84Y34.7Very low33.6Very low234 Ų234149 Ų14992%0.91884%0.838SS**PPolyproline II helixtrans-68.9145.9-178.8-86.6-101.7000113.6
85A31.7Very low33.7Very low98 Ų98150.6 Ų150.681%0.8184%0.842SS**PPolyproline II helixtrans-82.5148.6-179.800000113.3
86V38.2Very low33.9Very low141 Ų141147.6 Ų147.686%0.85584%0.835SS**  trans-114.6126.2166.11790000108
87Q37Very low34.4Very low185 Ų185150.8 Ų150.886%0.86483%0.833SS**  trans-82.3145.5175.8-69-179.1-14.300111.6
88P32Very low34.6Very low125 Ų125155.1 Ų155.181%0.81283%0.834SS**  trans-104.2141.7163.633.9-24.9000112.4
89L36Very low35.2Very low172 Ų172153.1 Ų153.190%0.90183%0.833SS**  trans-89.9120177.7-88.3159.3000112.6
90S37Very low35.5Very low105 Ų105148.1 Ų148.173%0.73483%0.829SS**  trans36.8126.8140.560.50000123.2
91C29Very low35.9Very low119 Ų119147.2 Ų147.280%0.80482%0.823SS**  trans-69.7158.2165.951.40000116
92V37.8Very low36Very low147 Ų147144.4 Ų144.489%0.89182%0.819SS**  trans-136.9131.3150.2178.90000108.6
93A32.1Very low36.3Very low91 Ų91139.7 Ų139.775%0.75282%0.816SS**  trans-101156.5-176.500000112.2
94L43.6Very low36.6Very low169 Ų169138.6 Ų138.689%0.88581%0.811SS**  trans-146.5148.4157.1-100.6128000110.6
95P35.1Very low36.5Very low111 Ų111136.6 Ų136.672%0.72181%0.81SS**  trans-107.4150.4-155.536.8-26.2000115.7
96S34.6Very low36.6Very low108 Ų108137.8 Ų137.876%0.75581%0.808SS**  trans43.8115.8137.9-164.80000120.9
97N41.8Very low36.4Very low149 Ų149137 Ų13780%0.79781%0.805SS**  -162.9122.5108-128.6-8000114.5
98R34.2Very low36.2Very low226 Ų226134.9 Ų134.985%0.85381%0.805SS**  trans3.8127.8144-154.9174.4-164.3161.22.1119.1
99V45.1Very low36.2Very low137 Ų137137.7 Ų137.783%0.8381%0.807SS**  177.3129.2118.1169.50000109
100V36.6Very low35.9Very low131 Ų131133.3 Ų133.379%0.79479%0.79SS**  trans-109157.3170-179.20000105.3
101P39.2Very low35.7Very low109 Ų109134.7 Ų134.771%0.70880%0.797SS**  cis-137.4173.221.116.511.8000115.5
102S38Very low35.8Very low116 Ų116132.9 Ų132.981%0.81179%0.786SS**  169.9134.8121.944.30000112
103V37.3Very low35.6Very low134 Ų134134.9 Ų134.981%0.81279%0.785SS**  trans-66.3128.8-179.3173.10000109.7
104S36.8Very low35.7Very low104 Ų104141.7 Ų141.773%0.72779%0.792SS**  trans-144.8108.8162.6-64.50000108.1T106S104-T106 PolarHBondContact O-N 2.85Å
105Q33.4Very low35.5Very low191 Ų191138.8 Ų138.889%0.89379%0.785SS**  trans-55.2119.6177.3-64.9163.7-9.700109.2
106T34.8Very low36.2Very low124 Ų124137 Ų13776%0.76179%0.787SS**  trans-114.5141.8163.740.90000108.6S104 V108S104-T106 PolarHBondContact O-N 2.85Å; T106-V108 PolarHBondContact O-N 3.18Å
107P32.8Very low37.2Very low123 Ų123140.2 Ų140.280%0.79979%0.79SS**  trans-66.8137.2-164.2-12.728000110.3E109P107-E109 PolarHBondContact O-N 3.39Å
108V33.3Very low38.5Very low142 Ų142135.3 Ų135.386%0.86176%0.763SS**  trans-59.395.2172.4-176.20000108.5T106 S110T106-V108 PolarHBondContact O-N 3.18Å; V108-S110 VanDerWaalsContact C-N 3.28Å; V108-S110 PolarHBondContact O-N 2.98Å
109E32.7Very low40.5Very low184 Ų184128.5 Ų128.586%0.8674%0.744SS**  trans-74.688173.8-159.9170.9-166.500108.1P107P107-E109 PolarHBondContact O-N 3.39Å
110S29Very low42.2Very low79 Ų79123.8 Ų123.855%0.55271%0.714SS**  trans-48.3137.617254.60000110.9V108 S112V108-S110 VanDerWaalsContact C-N 3.28Å; V108-S110 PolarHBondContact O-N 2.98Å; S110-S112 PolarHBondContact O-N 3.01Å
111P31.9Very low44.5Very low134 Ų134124.2 Ų124.287%0.8770%0.701SS**  trans-70.983.7177.729.5-32000108.5Q113P111-Q113 PolarHBondContact O-N 3.23Å
112S31.1Very low46.8Very low82 Ų82120.8 Ų120.857%0.57368%0.676SS**  trans-63.1105.7174.643.80000109.4S110 R114S110-S112 PolarHBondContact O-N 3.01Å; S112-R114 PolarHBondContact O-N 2.88Å
113Q34Very low49.2Very low188 Ų188121.9 Ų121.988%0.87966%0.663SS**  trans35.374140.9-64.6176-14.400116.3P111P111-Q113 PolarHBondContact O-N 3.23Å
114R34.1Very low51.7Low235 Ų235117.3 Ų117.389%0.88763%0.634SS**  trans-118.718.6166.5-71.7-168.3-175-179.54.4114.4S112 G116S112-R114 PolarHBondContact O-N 2.88Å; R114-G116 PolarHBondContact O-N 3.3Å
115S39.4Very low54.2Low107 Ų107112.4 Ų112.475%0.74860%0.599SS**SBendtrans-9588.7176.854.30000110.6
116G50.2Low56.9Low73 Ų73104.2 Ų104.275%0.75356%0.563SS**SBendtrans155.5-12.117200000116R114 I118R114-G116 PolarHBondContact O-N 3.3Å; G116-I118 PolarHBondContact O-N 3.01Å
117Q56.2Low59.7Low176 Ų17698.3 Ų98.382%0.82253%0.526SS*.  trans-87.698.7179.8-164.3172.816.400110.4D119Q117-D119 PolarHBondContact O-N 3.4Å
118I68Low62.6Low46 Ų4693 Ų9324%0.23649%0.491CS..  trans-64.2120.3168.9-65.8162.3000108.4I16 G116 L120 C236 L238I16-I118 HydrophobicContact CB-CD1 4.35Å; I16-I118 HydrophobicContact CD1-CD1 4.24Å; I16-I118 HydrophobicContact CD1-CG2 4.3Å; I16-I118 HydrophobicContact CG2-CD1 3.71Å; G116-I118 PolarHBondContact O-N 3.01Å; I118-L120 PolarHBondContact O-N 2.62Å; I118-C236 HydrophobicContact CG2-CB 4.37Å; I118-C236 WeakPolarHBondContact CG2-SG 3.22Å; I118-L238 HydrophobicContact CD1-CD2 4.04Å; I118-L238 HydrophobicContact CG1-CD2 4.18Å; I118-L238 HydrophobicContact CG2-CD2 4.27Å
119D75.8Confident65.5Low83 Ų8386.2 Ų86.244%0.44445%0.45SS..  trans-78.1104.9179.7-174.914.5000110.4Q117 R121Q117-D119 PolarHBondContact O-N 3.4Å; D119-R121 IonicContact OD1-NE 2.73Å; D119-R121 IonicContact OD2-CZ 3.99Å; D119-R121 IonicContact OD2-NE 3.67Å; D119-R121 PolarHBondContact OD2-NE 2.98Å; D119-R121 IonicContact OD2-NH2 2.87Å; D119-R121 PolarHBondContact OD2-NH2 3.32Å
120L81.9Confident68.5Low39 Ų3979.7 Ų79.720%0.20442%0.421CS..EExtended strand (participates in β ladder)trans-97.2116.6175.2-174.6146.1000109.8I12 I118 A234 I286I12-L120 HydrophobicContact CB-CD1 4.45Å; I12-L120 HydrophobicContact CD1-CD1 3.73Å; I12-L120 HydrophobicContact CG2-CD1 3.95Å; I118-L120 PolarHBondContact O-N 2.62Å; L120-A234 HydrophobicContact CD2-CB 4.04Å; L120-A234 HydrophobicContact CG-CB 4.28Å; L120-I286 HydrophobicContact CD1-CD1 4.2Å
121R84.6Confident71.6Confident140 Ų14075.9 Ų75.953%0.52839%0.394SS..EExtended strand (participates in β ladder)trans-115.2126.4179.5-61.3-171.6-175-174.83.7111.5D119 R123 A234 T235D119-R121 IonicContact OD1-NE 2.73Å; D119-R121 IonicContact OD2-CZ 3.99Å; D119-R121 IonicContact OD2-NE 3.67Å; D119-R121 PolarHBondContact OD2-NE 2.98Å; D119-R121 IonicContact OD2-NH2 2.87Å; D119-R121 PolarHBondContact OD2-NH2 3.32Å; R121-R123 PolarHBondContact O-N 3.06Å; R121-A234 CarbonylContact O-C 3.57Å; R121-A234 VanDerWaalsContact O-CA 3.32Å; R121-A234 WeakPolarHBondContact O-CA 3.47Å; R121-T235 PolarHBondContact N-O 2.9Å; R121-T235 PolarHBondContact O-N 2.9Å
122I87.4Confident74.4Confident36 Ų3673.1 Ų73.119%0.18538%0.377CS..EExtended strand (participates in β ladder)trans-71.9127.9169.5-62.3-178.7000108.9P4 Y7 V125 L198 I232P4-I122 HydrophobicContact CB-CD1 4.07Å; P4-I122 HydrophobicContact CG-CD1 3.49Å; P4-I122 VanDerWaalsContact CG-CD1 3.49Å; Y7-I122 HydrophobicContact CD2-CD1 4.36Å; Y7-I122 HydrophobicContact CE2-CD1 4.43Å; Y7-I122 HydrophobicContact CE2-CG1 4.47Å; I122-V125 HydrophobicContact CG2-CG2 3.76Å; I122-L198 WeakPolarHBondContact CG2-O 3.32Å; I122-I232 HydrophobicContact CD1-CG2 4.45Å; I122-I232 HydrophobicContact CG2-CG2 3.99Å
123R88.5Confident77.3Confident140 Ų14070.3 Ų70.353%0.52836%0.358SS..EExtended strand (participates in β ladder)trans-103.4-33.1178.7-65.4-58.7-168160.64.6112.7R121 M233 T235R121-R123 PolarHBondContact O-N 3.06Å; R123-M233 PolarHBondContact N-O 2.87Å; R123-T235 HydrophobicContact CG-CG2 3.54Å; R123-T235 WeakPolarHBondContact CG-OG1 3.36Å; R123-T235 PolarHBondContact NE-OG1 3.25Å
124N89.8Confident80Confident37 Ų3769 Ų6920%0.19835%0.351CS..EExtended strand (participates in β ladder)trans-154.5136.2-177.9-171.117000111.4G196 N197 I232 M233N124-G196 WeakPolarHBondContact OD1-CA 3.22Å; N124-G196 PolarHBondContact OD1-N 3.14Å; N124-N197 CarbonylContact C-O 3.54Å; N124-N197 VanDerWaalsContact CA-O 3.28Å; N124-N197 WeakPolarHBondContact CA-O 3.21Å; N124-N197 PolarHBondContact OD1-N 2.95Å; N124-I232 WeakPolarHBondContact O-CA 3.46Å; N124-M233 HydrophobicContact CB-CB 4.11Å; N124-M233 PolarHBondContact N-O 3.38Å; N124-M233 PolarHBondContact O-N 3.48Å
125V88.6Confident82.5Confident1 Ų158.2 Ų58.21%0.00631%0.311CS..EExtended strand (participates in β ladder)trans-119120.2169.6-178.40000107.7I122 T127 N197 A203 V229 I232I122-V125 HydrophobicContact CG2-CG2 3.76Å; V125-T127 HydrophobicContact CG1-CG2 4.23Å; V125-N197 HydrophobicContact CB-CB 4.24Å; V125-N197 PolarHBondContact N-O 3.27Å; V125-N197 PolarHBondContact O-ND2 3.12Å; V125-N197 VanDerWaalsContact O-ND2 3.12Å; V125-A203 HydrophobicContact CB-CB 4.27Å; V125-A203 HydrophobicContact CG1-CB 3.93Å; V125-V229 HydrophobicContact CG1-CG1 3.9Å; V125-I232 HydrophobicContact CG1-CG1 4.32Å; V125-I232 HydrophobicContact CG2-CG2 4.08Å
126V90.9Very high84.7Confident20 Ų2057.7 Ų57.712%0.12130%0.3CS..EExtended strand (participates in β ladder)trans-104117.4179.1-174.50000109.1I193 V194 S195 T230 N231V126-I193 HydrophobicContact CG1-CG2 3.51Å; V126-V194 WeakPolarHBondContact CA-O 3.33Å; V126-S195 WeakPolarHBondContact CG1-OG 3.34Å; V126-T230 VanDerWaalsContact CG1-OG1 3.27Å; V126-T230 WeakPolarHBondContact CG1-OG1 3.32Å; V126-T230 PolarHBondContact O-N 2.75Å; V126-T230 PolarHBondContact O-OG1 2.78Å; V126-N231 HydrophobicContact CB-CB 4.22Å; V126-N231 HydrophobicContact CG2-CB 4.46Å; V126-N231 PolarHBondContact N-O 2.82Å; V126-N231 PolarHBondContact O-N 2.86Å
127T92.8Very high86.3Confident0 Ų054.8 Ų54.80%027%0.267CS..EExtended strand (participates in β ladder)trans-109.9155.6179.352.80000110.9V125 I193 V194 A203 S207 Y227 R228 V229V125-T127 HydrophobicContact CG1-CG2 4.23Å; T127-I193 CarbonylContact O-C 3.59Å; T127-I193 VanDerWaalsContact O-CA 3.29Å; T127-I193 WeakPolarHBondContact O-CA 3.33Å; T127-V194 PolarHBondContact N-O 3.05Å; T127-V194 PolarHBondContact O-N 3.42Å; T127-A203 HydrophobicContact CG2-CB 3.53Å; T127-S207 PolarHBondContact OG1-OG 3.05Å; T127-Y227 HydrophobicContact CG2-CE2 3.7Å; T127-Y227 WeakPolarHBondContact CG2-OH 3.36Å; T127-R228 CarbonylContact C-O 3.54Å; T127-R228 WeakPolarHBondContact CA-O 3.37Å; T127-V229 HydrophobicContact CG2-CG2 4.21Å
128M93.9Very high87.4Confident11 Ų1149.4 Ų49.45%0.05424%0.242CC..EExtended strand (participates in β ladder)trans-132.7141.2174-176-15190.200108.8K191 V192 I193 Y227 R228 T230M128-K191 HydrophobicContact CG-CG 4.04Å; M128-K191 HydrophobicContact SD-CD 4.33Å; M128-K191 WeakPolarHBondContact SD-CE 3.49Å; M128-K191 HydrophobicContact SD-CG 4.25Å; M128-V192 CarbonylContact C-O 3.38Å; M128-V192 WeakPolarHBondContact CA-O 3.35Å; M128-I193 HydrophobicContact CB-CG1 4.12Å; M128-I193 HydrophobicContact CG-CG1 3.91Å; M128-Y227 CarbonylContact O-C 3.56Å; M128-Y227 WeakPolarHBondContact O-CA 3.19Å; M128-R228 HydrophobicContact CB-CG 4.36Å; M128-R228 HydrophobicContact CE-CG 3.98Å; M128-R228 VanDerWaalsContact CE-NH2 3.27Å; M128-R228 PolarHBondContact N-O 3.42Å; M128-R228 PolarHBondContact O-N 2.93Å; M128-R228 PolarHBondContact SD-NE 2.85Å; M128-R228 PolarHBondContact SD-NH2 2.87Å; M128-T230 HydrophobicContact CB-CG2 3.36Å; M128-T230 HydrophobicContact CG-CG2 4.36Å; M128-T230 HydrophobicContact SD-CG2 4.38Å
129F95.3Very high88.1Confident0 Ų049.2 Ų49.20%024%0.243CC..EExtended strand (participates in β ladder)trans-141.3166.5169.367.9-89.8000109.4T131 V192 V194 V210 A211 F224 A225 Y227F129-T131 HydrophobicContact CE2-CG2 4.03Å; F129-V192 HydrophobicContact CD1-CB 4.06Å; F129-V192 HydrophobicContact CD1-CG1 4.25Å; F129-V192 HydrophobicContact CD2-CB 4.21Å; F129-V192 HydrophobicContact CD2-CG2 4.49Å; F129-V192 HydrophobicContact CE1-CB 3.64Å; F129-V192 HydrophobicContact CE1-CG1 3.45Å; F129-V192 VanDerWaalsContact CE1-CG1 3.45Å; F129-V192 HydrophobicContact CE1-CG2 4.49Å; F129-V192 HydrophobicContact CE2-CB 3.8Å; F129-V192 HydrophobicContact CE2-CG1 4.26Å; F129-V192 HydrophobicContact CE2-CG2 3.85Å; F129-V192 HydrophobicContact CG-CB 4.34Å; F129-V192 HydrophobicContact CZ-CB 3.5Å; F129-V192 HydrophobicContact CZ-CG1 3.46Å; F129-V192 VanDerWaalsContact CZ-CG1 3.46Å; F129-V192 HydrophobicContact CZ-CG2 3.86Å; F129-V192 PolarHBondContact N-O 2.84Å; F129-V192 PolarHBondContact O-N 3Å; F129-V194 HydrophobicContact CD1-CG2 4.46Å; F129-V194 HydrophobicContact CE1-CG2 3.88Å; F129-V210 HydrophobicContact CE1-CB 4.49Å; F129-V210 HydrophobicContact CE1-CG1 4.36Å; F129-V210 HydrophobicContact CZ-CB 4.3Å; F129-V210 HydrophobicContact CZ-CG1 3.96Å; F129-A211 HydrophobicContact CE2-CB 3.91Å; F129-A211 HydrophobicContact CZ-CB 4.13Å; F129-F224 HydrophobicContact CB-CD2 4.09Å; F129-F224 HydrophobicContact CB-CE2 3.74Å; F129-F224 HydrophobicContact CB-CZ 4.43Å; F129-F224 HydrophobicContact CD1-CD2 4.36Å; F129-F224 AromaticContact CD1-CE2 3.83Å; F129-F224 HydrophobicContact CD1-CE2 3.83Å; F129-F224 AromaticContact CD2-CD2 3.62Å; F129-F224 HydrophobicContact CD2-CD2 3.62Å; F129-F224 AromaticContact CD2-CE2 3.92Å; F129-F224 HydrophobicContact CD2-CE2 3.92Å; F129-F224 HydrophobicContact CE1-CE2 4.37Å; F129-F224 HydrophobicContact CE2-CD2 4.06Å; F129-F224 HydrophobicContact CE2-CE2 4.46Å; F129-F224 AromaticContact CG-CD2 3.78Å; F129-F224 HydrophobicContact CG-CD2 3.78Å; F129-F224 AromaticContact CG-CE2 3.57Å; F129-F224 HydrophobicContact CG-CE2 3.57Å; F129-A225 WeakPolarHBondContact CB-O 3.37Å; F129-Y227 HydrophobicContact CB-CD2 4.42Å
130N95.6Very high88.4Confident46 Ų4645.3 Ų45.325%0.24622%0.222CC..EExtended strand (participates in β ladder)trans-113.6141.3178.4-167.7-1.3000110C132 G190 A225 D226N130-C132 PolarHBondContact OD1-N 2.87Å; N130-C132 VanDerWaalsContact OD1-N 3.12Å; N130-G190 PolarHBondContact OD1-O 3.21Å; N130-A225 PolarHBondContact N-O 3.16Å; N130-A225 PolarHBondContact O-N 2.6Å; N130-D226 HydrophobicContact CB-CB 4.13Å
131T92.9Very high88.3Confident0 Ų044.8 Ų44.80%022%0.223CC..  trans-88.6-8.817560.80000114.4F129 C133 L135 G190 V192 L214 V222 H223F129-T131 HydrophobicContact CE2-CG2 4.03Å; T131-C133 PolarHBondContact O-N 2.83Å; T131-C133 VanDerWaalsContact O-N 3.13Å; T131-C133 PolarHBondContact O-SG 3.47Å; T131-C133 VanDerWaalsContact O-SG 3.35Å; T131-C133 PolarHBondContact OG1-O 2.87Å; T131-L135 HydrophobicContact CG2-CD1 4.23Å; T131-G190 PolarHBondContact N-O 3.29Å; T131-G190 WeakPolarHBondContact OG1-CA 3.31Å; T131-G190 PolarHBondContact OG1-O 2.88Å; T131-G190 VanDerWaalsContact OG1-O 3.05Å; T131-V192 HydrophobicContact CG2-CG2 3.89Å; T131-L214 HydrophobicContact CG2-CD1 4.05Å; T131-V222 HydrophobicContact CG2-CG1 3.83Å; T131-H223 VanDerWaalsContact CA-O 3.25Å; T131-H223 WeakPolarHBondContact CA-O 3.38Å; T131-H223 PolarHBondContact O-N 3.21Å
132C91.6Very high88.1Confident76 Ų7643 Ų4351%0.51422%0.222SC..SBendtrans58.317.3-177.5-58.10000114.9N130 H223 A225N130-C132 PolarHBondContact OD1-N 2.87Å; N130-C132 VanDerWaalsContact OD1-N 3.12Å; C132-H223 HydrophobicContact CB-CB 4.43Å; C132-A225 WeakPolarHBondContact SG-CB 2.99Å
133C91.5Very high87.8Confident23 Ų2348.9 Ų48.916%0.15524%0.242CC..SBendtrans-146.4149178.255.40000110.3T131 G190 Q221T131-C133 PolarHBondContact O-N 2.83Å; T131-C133 VanDerWaalsContact O-N 3.13Å; T131-C133 PolarHBondContact O-SG 3.47Å; T131-C133 VanDerWaalsContact O-SG 3.35Å; T131-C133 PolarHBondContact OG1-O 2.87Å; C133-G190 WeakPolarHBondContact O-CA 3.25Å; C133-Q221 HydrophobicContact CB-CG 4.3Å; C133-Q221 PolarHBondContact SG-O 3.39Å; C133-Q221 VanDerWaalsContact SG-O 3.38Å
134H90.3Very high87.2Confident161 Ų16143 Ų4375%0.74522%0.222SC*.  trans-68.7132.1171.3-80.9-81.4000110.4S188H134-S188 WeakPolarHBondContact CA-O 3.2Å; H134-S188 PolarHBondContact ND1-O 3.38Å
135L86.8Confident86.1Confident7 Ų746.3 Ų46.34%0.03725%0.246CC..  trans-107.4124.7-176.3-58.7-174.7000110.2T131 L137 I186 S188 I218 V222T131-L135 HydrophobicContact CG2-CD1 4.23Å; L135-L137 HydrophobicContact CB-CD2 4.49Å; L135-L137 PolarHBondContact O-N 3.42Å; L135-I186 HydrophobicContact CD1-CG2 3.56Å; L135-S188 PolarHBondContact N-O 2.95Å; L135-I218 HydrophobicContact CD1-CD1 4.32Å; L135-I218 HydrophobicContact CD2-CD1 3.54Å; L135-I218 HydrophobicContact CD2-CG1 4.47Å; L135-I218 HydrophobicContact CD2-CG2 4.35Å; L135-I218 HydrophobicContact CG-CD1 4.4Å; L135-V222 HydrophobicContact CD2-CG2 4.36Å
136N85.7Confident85.3Confident97 Ų9749.5 Ų49.552%0.51926%0.263SS..  trans-75.298.1166.1-169.1-20.7000109.1H138 T139 V140N136-H138 PolarHBondContact O-N 3.4Å; N136-H138 VanDerWaalsContact OD1-CB 3.22Å; N136-H138 WeakPolarHBondContact OD1-CB 3.41Å; N136-H138 PolarHBondContact OD1-N 3.49Å; N136-H138 VanDerWaalsContact OD1-N 3.1Å; N136-T139 WeakPolarHBondContact O-CB 3.35Å; N136-T139 PolarHBondContact O-N 3Å; N136-T139 VanDerWaalsContact O-N 3.07Å; N136-V140 PolarHBondContact O-N 3.27Å; N136-V140 VanDerWaalsContact O-N 3.08Å
137L83.6Confident84.1Confident12 Ų1250.1 Ų50.16%0.06327%0.267CS..Hα-helixtrans-57.5-30.9-178.6-65.1-174.2000112.9L135 V140 A141 Q171 V173 I186L135-L137 HydrophobicContact CB-CD2 4.49Å; L135-L137 PolarHBondContact O-N 3.42Å; L137-V140 PolarHBondContact O-N 2.8Å; L137-A141 WeakPolarHBondContact O-CB 3.43Å; L137-A141 PolarHBondContact O-N 2.91Å; L137-Q171 WeakPolarHBondContact CD1-O 3.23Å; L137-V173 HydrophobicContact CB-CG2 3.63Å; L137-V173 HydrophobicContact CD1-CG2 4.23Å; L137-V173 HydrophobicContact CD2-CB 4.38Å; L137-V173 HydrophobicContact CD2-CG2 3.81Å; L137-V173 HydrophobicContact CG-CG2 4.08Å; L137-I186 HydrophobicContact CD2-CG2 3.97Å
138H80.2Confident82.7Confident63 Ų6354.2 Ų54.229%0.29229%0.288SS..Hα-helixtrans-62.3-50175.2-179.844.6000111.1N136 V140 A141 M142 L164 L167N136-H138 PolarHBondContact O-N 3.4Å; N136-H138 VanDerWaalsContact OD1-CB 3.22Å; N136-H138 WeakPolarHBondContact OD1-CB 3.41Å; N136-H138 PolarHBondContact OD1-N 3.49Å; N136-H138 VanDerWaalsContact OD1-N 3.1Å; H138-V140 VanDerWaalsContact C-N 3.32Å; H138-V140 PolarHBondContact O-N 2.79Å; H138-A141 PolarHBondContact O-N 3.19Å; H138-M142 VanDerWaalsContact CE1-CG 3.42Å; H138-M142 WeakPolarHBondContact CE1-CG 2.92Å; H138-M142 WeakPolarHBondContact O-CG 3.47Å; H138-M142 PolarHBondContact O-N 3.2Å; H138-L164 WeakPolarHBondContact CE1-CD1 3.43Å; H138-L164 WeakPolarHBondContact CE1-CD2 3.45Å; H138-L164 WeakPolarHBondContact ND1-CD2 3.02Å; H138-L167 HydrophobicContact CB-CD2 3.6Å
139T82.1Confident80.9Confident42 Ų4256.7 Ų56.726%0.25830%0.297SS..Hα-helixtrans-61.8-40.5177.6-51.20000111.5N136 M142 R143N136-T139 WeakPolarHBondContact O-CB 3.35Å; N136-T139 PolarHBondContact O-N 3Å; N136-T139 VanDerWaalsContact O-N 3.07Å; T139-M142 PolarHBondContact O-N 2.87Å; T139-R143 HydrophobicContact CG2-CG 4.39Å; T139-R143 WeakPolarHBondContact O-CB 3.42Å; T139-R143 WeakPolarHBondContact O-CG 3.4Å; T139-R143 PolarHBondContact O-N 2.85Å
140V83.4Confident78.9Confident0 Ų062.3 Ų62.30%032%0.323CS..Hα-helixtrans-61.8-48175.6177.40000110.6N136 L137 H138 M142 R143 T144 I186 L214 I218N136-V140 PolarHBondContact O-N 3.27Å; N136-V140 VanDerWaalsContact O-N 3.08Å; L137-V140 PolarHBondContact O-N 2.8Å; H138-V140 VanDerWaalsContact C-N 3.32Å; H138-V140 PolarHBondContact O-N 2.79Å; V140-M142 VanDerWaalsContact C-N 3.32Å; V140-M142 PolarHBondContact O-N 3.47Å; V140-R143 PolarHBondContact O-N 3.2Å; V140-T144 HydrophobicContact CG1-CG2 4.24Å; V140-T144 WeakPolarHBondContact O-CB 3.45Å; V140-T144 PolarHBondContact O-N 2.86Å; V140-T144 PolarHBondContact O-OG1 2.84Å; V140-I186 HydrophobicContact CG1-CD1 4.09Å; V140-L214 HydrophobicContact CG1-CD2 4.07Å; V140-I218 HydrophobicContact CG2-CD1 3.61Å; V140-I218 HydrophobicContact CG2-CG1 3.82Å
141A79.1Confident77Confident28 Ų2868.1 Ų68.123%0.23134%0.342CS..Hα-helixtrans-62.7-36.6-179.700000112.9L137 H138 V147L137-A141 WeakPolarHBondContact O-CB 3.43Å; L137-A141 PolarHBondContact O-N 2.91Å; H138-A141 PolarHBondContact O-N 3.19Å; A141-V147 HydrophobicContact CB-CG1 4.06Å
142M81Confident75.1Confident103 Ų10373.5 Ų73.551%0.50737%0.371SS..Hα-helixtrans-76.1-32.6178.6-65.7-61-77.300113H138 T139 V140 V162 L164H138-M142 VanDerWaalsContact CE1-CG 3.42Å; H138-M142 WeakPolarHBondContact CE1-CG 2.92Å; H138-M142 WeakPolarHBondContact O-CG 3.47Å; H138-M142 PolarHBondContact O-N 3.2Å; T139-M142 PolarHBondContact O-N 2.87Å; V140-M142 VanDerWaalsContact C-N 3.32Å; V140-M142 PolarHBondContact O-N 3.47Å; M142-V162 HydrophobicContact CE-CG1 4.23Å; M142-V162 HydrophobicContact SD-CG1 4.31Å; M142-L164 HydrophobicContact CE-CD1 3.97Å; M142-L164 HydrophobicContact SD-CD1 4.01Å; M142-L164 HydrophobicContact SD-CD2 4.49Å; M142-L164 HydrophobicContact SD-CG 4.41Å
143R81.3Confident73.1Confident159 Ų15981.7 Ų81.760%0.639%0.391SS*.Hα-helixtrans-90.9-16.3-176.7-69-176.6178.1-174.3-1.8114.3T139 V140 C217T139-R143 HydrophobicContact CG2-CG 4.39Å; T139-R143 WeakPolarHBondContact O-CB 3.42Å; T139-R143 WeakPolarHBondContact O-CG 3.4Å; T139-R143 PolarHBondContact O-N 2.85Å; V140-R143 PolarHBondContact O-N 3.2Å; R143-C217 HydrophobicContact CB-CB 4.17Å; R143-C217 WeakPolarHBondContact CD-O 3.36Å; R143-C217 PolarHBondContact NH1-O 2.85Å
144T74.8Confident70.5Confident18 Ų1883.7 Ų83.711%0.1142%0.416CS..SBendtrans-104.4147.1-179.654.90000111.3V140 V147 L175 M213 C217V140-T144 HydrophobicContact CG1-CG2 4.24Å; V140-T144 WeakPolarHBondContact O-CB 3.45Å; V140-T144 PolarHBondContact O-N 2.86Å; V140-T144 PolarHBondContact O-OG1 2.84Å; T144-V147 WeakPolarHBondContact O-CG2 3.31Å; T144-V147 WeakPolarHBondContact OG1-CG2 3.18Å; T144-L175 WeakPolarHBondContact OG1-CD2 3.45Å; T144-M213 HydrophobicContact CG2-CE 4.47Å; T144-M213 HydrophobicContact CG2-SD 4.43Å; T144-C217 HydrophobicContact CG2-CB 4.32Å; T144-C217 WeakPolarHBondContact CG2-SG 2.94Å
145C67.5Low68.1Low105 Ų10582.1 Ų82.171%0.70942%0.417SS*.SBendtrans-92.6154.5174.761.70000110.8
146N70.4Confident65.6Low69 Ų6989.1 Ų89.137%0.36945%0.454SS..SBendtrans61.339.5-178.7-43.7-67.3000114Q176N146-Q176 WeakPolarHBondContact CB-O 3.41Å; N146-Q176 PolarHBondContact O-N 3Å; N146-Q176 VanDerWaalsContact O-N 3.11Å
147V65.9Low63.5Low33 Ų3391.1 Ų91.120%0.247%0.465CS..EExtended strand (participates in β ladder)trans-84.7124.4171.8-176.30000109.4A141 T144 V173 L175A141-V147 HydrophobicContact CB-CG1 4.06Å; T144-V147 WeakPolarHBondContact O-CG2 3.31Å; T144-V147 WeakPolarHBondContact OG1-CG2 3.18Å; V147-V173 HydrophobicContact CG1-CG1 3.47Å; V147-V173 VanDerWaalsContact CG1-CG1 3.47Å; V147-L175 HydrophobicContact CB-CD2 3.85Å; V147-L175 HydrophobicContact CG1-CD2 3.98Å; V147-L175 HydrophobicContact CG2-CD2 3.18Å
148I64.7Low61.2Low85 Ų8596 Ų9644%0.43650%0.497SS..EExtended strand (participates in β ladder)trans-100.5109.7162.4-58175.3000106.4E150 V174I148-E150 HydrophobicContact CG2-CG 4.23Å; I148-V174 PolarHBondContact N-O 3.11Å; I148-V174 WeakPolarHBondContact O-CB 3.25Å; I148-V174 PolarHBondContact O-N 2.99Å; I148-V174 VanDerWaalsContact O-O 3.06Å
149Y55.9Low59.2Low64 Ų64101.4 Ų101.425%0.25152%0.516SS..  trans-90.8104170.3-171.6-103.9000108.3R151 L170 V173Y149-R151 PolarHBondContact O-N 2.85Å; Y149-R151 VanDerWaalsContact O-N 3.14Å; Y149-L170 HydrophobicContact CE1-CB 4.4Å; Y149-L170 HydrophobicContact CE1-CD1 3.78Å; Y149-L170 HydrophobicContact CE2-CB 4.35Å; Y149-L170 WeakPolarHBondContact OH-CB 3.44Å; Y149-V173 HydrophobicContact CD2-CG2 4.24Å; Y149-V173 HydrophobicContact CE2-CG2 4.48Å
150E53.6Low57.2Low117 Ų117103.9 Ų103.955%0.54753%0.534SS..  trans-75.8102.3175-76-178.2-177.400109.1I148 N152 L170I148-E150 HydrophobicContact CG2-CG 4.23Å; E150-N152 PolarHBondContact O-N 2.96Å; E150-L170 WeakPolarHBondContact O-CD2 3.4Å
151R54.2Low55.3Low168 Ų168112.9 Ų112.963%0.63457%0.568SS**  trans-63123.3163.8-160.3-178.8-137.2162.24.5107.4Y149 R153 L170Y149-R151 PolarHBondContact O-N 2.85Å; Y149-R151 VanDerWaalsContact O-N 3.14Å; R151-R153 PolarHBondContact O-N 3.35Å; R151-L170 VanDerWaalsContact CA-CD1 3.43Å; R151-L170 HydrophobicContact CB-CD1 4.32Å; R151-L170 HydrophobicContact CG-CD1 4.15Å
152N52.8Low53.3Low113 Ų113117 Ų11760%0.60459%0.59SS**  trans-36.2119.7179.9-100.2-34.4000109.5E150 G154 L170E150-N152 PolarHBondContact O-N 2.96Å; N152-G154 PolarHBondContact O-N 2.78Å; N152-L170 HydrophobicContact CB-CD2 3.89Å; N152-L170 HydrophobicContact CB-CG 4.42Å; N152-L170 WeakPolarHBondContact ND2-CD2 3.33Å
153R50.7Low51.3Low248 Ų248115.9 Ų115.994%0.93660%0.597SS**SBendtrans-34.3106.9-175-69.5176.2174.6-179-4.7110.8R151R151-R153 PolarHBondContact O-N 3.35Å
154G37Very low49.5Very low66 Ų66112.2 Ų112.268%0.6859%0.589SS**SBendtrans174.1-1.8179.300000119N152N152-G154 PolarHBondContact O-N 2.78Å
155V40.3Very low47.9Very low128 Ų128116.6 Ų116.678%0.77662%0.618SS**  trans-158.5128.5162-157.20000110.6
156N33.8Very low46.5Very low153 Ų153122.9 Ų122.982%0.81863%0.626SS**  trans-53.2128.6173.6-82.9-70.6000112.6
157L40.5Very low45.1Very low140 Ų140122.8 Ų122.873%0.73363%0.625SS**  trans-140.4115.2143.8-102.6108.7000109.9
158P35.2Very low44Very low114 Ų114126.1 Ų126.174%0.7465%0.65SS**SBendtrans-69.3136.9162.832.4-28.1000106.4
159Y40Very low43.1Very low177 Ų177129 Ų12969%0.69467%0.666SS**  trans82.951.3171.6-133.6-93.1000117.9R161Y159-R161 HydrophobicContact CD1-CG 4.42Å; Y159-R161 HydrophobicContact CE1-CG 4.12Å; Y159-R161 PolarHBondContact O-N 2.94Å; Y159-R161 PolarHBondContact OH-NH2 3.34Å
160C40.2Very low42.7Very low93 Ų93127.5 Ų127.563%0.62866%0.662SS**  trans-76.287.1167.5-162.30000111.6
161R42.3Very low42.9Very low190 Ų190128 Ų12872%0.71766%0.664SS**SBendtrans-92.595.1149.5-76.5-174.7-162.3-173.34.9106.6Y159Y159-R161 HydrophobicContact CD1-CG 4.42Å; Y159-R161 HydrophobicContact CE1-CG 4.12Å; Y159-R161 PolarHBondContact O-N 2.94Å; Y159-R161 PolarHBondContact OH-NH2 3.34Å
162V37.5Very low43.4Very low114 Ų114122 Ų12269%0.69165%0.646SS**  trans64.499.2170.2-159.50000114.7M142M142-V162 HydrophobicContact CE-CG1 4.23Å; M142-V162 HydrophobicContact SD-CG1 4.31Å
163A39.9Very low44.2Very low80 Ų80116.6 Ų116.666%0.66162%0.617SS**  trans-140.6112.1161.800000110.9
164L42.3Very low45.3Very low82 Ų82105.5 Ų105.543%0.42958%0.577SS.*  trans-104.1172.1165-57.8168.8000107.7H138 M142 L167H138-L164 WeakPolarHBondContact CE1-CD1 3.43Å; H138-L164 WeakPolarHBondContact CE1-CD2 3.45Å; H138-L164 WeakPolarHBondContact ND1-CD2 3.02Å; M142-L164 HydrophobicContact CE-CD1 3.97Å; M142-L164 HydrophobicContact SD-CD1 4.01Å; M142-L164 HydrophobicContact SD-CD2 4.49Å; M142-L164 HydrophobicContact SD-CG 4.41Å; L164-L167 HydrophobicContact CD2-CD1 3.9Å
165P41.7Very low46.8Very low110 Ų110102.5 Ų102.571%0.71455%0.545SS*.  cis-127.6136.9-14.932.3-13.8000112.5
166R37.8Very low48.4Very low236 Ų236100.3 Ų100.389%0.89153%0.527SS*.  trans-177.280.8150.5-105.6177.5-175.6153.52.1105.3
167L40.5Very low50Low67 Ų6794.7 Ų94.735%0.35150%0.498SS..  trans-118.439.4-146.9-136.9104.3000112.7H138 L164H138-L167 HydrophobicContact CB-CD2 3.6Å; L164-L167 HydrophobicContact CD2-CD1 3.9Å
168S42.7Very low51.4Low104 Ų10497.1 Ų97.173%0.72750%0.497SS*.SBendtrans-105.5-13.7-172.674.80000116.5
169L46.7Very low52.8Low144 Ų144102.9 Ų102.975%0.75450%0.504SS*.SBendtrans-111.33.3-169.6-63.8179.2000115.6
170L47Very low54Low34 Ų3496.5 Ų96.518%0.17849%0.485CS..  trans-121.9105.9-175.6-76.8158.8000110.6Y149 E150 R151 N152 V172Y149-L170 HydrophobicContact CE1-CB 4.4Å; Y149-L170 HydrophobicContact CE1-CD1 3.78Å; Y149-L170 HydrophobicContact CE2-CB 4.35Å; Y149-L170 WeakPolarHBondContact OH-CB 3.44Å; E150-L170 WeakPolarHBondContact O-CD2 3.4Å; R151-L170 VanDerWaalsContact CA-CD1 3.43Å; R151-L170 HydrophobicContact CB-CD1 4.32Å; R151-L170 HydrophobicContact CG-CD1 4.15Å; N152-L170 HydrophobicContact CB-CD2 3.89Å; N152-L170 HydrophobicContact CB-CG 4.42Å; N152-L170 WeakPolarHBondContact ND2-CD2 3.33Å; L170-V172 VanDerWaalsContact C-N 3.33Å; L170-V172 PolarHBondContact O-N 2.89Å
171Q57.8Low55.8Low127 Ų127102 Ų10259%0.59349%0.492SS*.  trans-92.717.8-174.4-60.9-178-12.500112.7L137 W187 S188L137-Q171 WeakPolarHBondContact CD1-O 3.23Å; Q171-W187 WeakPolarHBondContact O-CA 3.34Å; Q171-S188 PolarHBondContact O-N 3.06Å
172V64.8Low57.9Low42 Ų4293 Ų9326%0.25546%0.459SS..EExtended strand (participates in β ladder)trans-135.9132.1-178-169.80000112.9L170 V174 K185 I186 W187L170-V172 VanDerWaalsContact C-N 3.33Å; L170-V172 PolarHBondContact O-N 2.89Å; V172-V174 HydrophobicContact CG1-CG2 4.49Å; V172-K185 HydrophobicContact CG1-CB 4.03Å; V172-I186 CarbonylContact C-O 3.25Å; V172-I186 VanDerWaalsContact CA-O 3.23Å; V172-I186 WeakPolarHBondContact CA-O 3.42Å; V172-W187 HydrophobicContact CG2-CD2 4.39Å; V172-W187 HydrophobicContact CG2-CG 4.2Å
173V69.2Low60.3Low0 Ų092.2 Ų92.20%045%0.446CS..EExtended strand (participates in β ladder)trans-109.8129.8168.9173.70000109L137 V147 Y149 L175 K185 I186L137-V173 HydrophobicContact CB-CG2 3.63Å; L137-V173 HydrophobicContact CD1-CG2 4.23Å; L137-V173 HydrophobicContact CD2-CB 4.38Å; L137-V173 HydrophobicContact CD2-CG2 3.81Å; L137-V173 HydrophobicContact CG-CG2 4.08Å; V147-V173 HydrophobicContact CG1-CG1 3.47Å; V147-V173 VanDerWaalsContact CG1-CG1 3.47Å; Y149-V173 HydrophobicContact CD2-CG2 4.24Å; Y149-V173 HydrophobicContact CE2-CG2 4.48Å; V173-L175 HydrophobicContact CG1-CD2 3.88Å; V173-L175 HydrophobicContact CG1-CG 4.28Å; V173-K185 CarbonylContact O-C 3.54Å; V173-K185 WeakPolarHBondContact O-CA 3.5Å; V173-I186 HydrophobicContact CB-CB 4.37Å; V173-I186 PolarHBondContact N-O 3.06Å; V173-I186 PolarHBondContact O-N 3.11Å
174V73.2Confident62.6Low14 Ų1488.4 Ų88.49%0.08542%0.415CS..EExtended strand (participates in β ladder)trans-104.6119.1175.7-171.30000109.5I148 V172 V184 K185I148-V174 PolarHBondContact N-O 3.11Å; I148-V174 WeakPolarHBondContact O-CB 3.25Å; I148-V174 PolarHBondContact O-N 2.99Å; I148-V174 VanDerWaalsContact O-O 3.06Å; V172-V174 HydrophobicContact CG1-CG2 4.49Å; V174-V184 CarbonylContact C-O 3.53Å; V174-V184 VanDerWaalsContact CA-O 3.25Å; V174-V184 WeakPolarHBondContact CA-O 3.22Å; V174-K185 HydrophobicContact CG2-CG 4.29Å
175L70.4Confident64.9Low3 Ų389 Ų892%0.01641%0.414CS..EExtended strand (participates in β ladder)trans-105.6137174.1-51.9174.8000109.6T144 V147 V173 F183 V184 I186 M213T144-L175 WeakPolarHBondContact OG1-CD2 3.45Å; V147-L175 HydrophobicContact CB-CD2 3.85Å; V147-L175 HydrophobicContact CG1-CD2 3.98Å; V147-L175 HydrophobicContact CG2-CD2 3.18Å; V173-L175 HydrophobicContact CG1-CD2 3.88Å; V173-L175 HydrophobicContact CG1-CG 4.28Å; L175-F183 WeakPolarHBondContact O-CA 3.41Å; L175-V184 HydrophobicContact CB-CB 4.13Å; L175-V184 PolarHBondContact N-O 3.07Å; L175-V184 PolarHBondContact O-N 2.8Å; L175-I186 HydrophobicContact CD1-CD1 3.41Å; L175-I186 VanDerWaalsContact CD1-CD1 3.41Å; L175-I186 HydrophobicContact CG-CD1 3.95Å; L175-M213 HydrophobicContact CD1-CE 3.3Å; L175-M213 HydrophobicContact CD1-SD 4.41Å
176Q72.6Confident67.1Low82 Ų8283.8 Ų83.838%0.38338%0.38SS..EExtended strand (participates in β ladder)trans-106.3101.6166.9-168.1177.78.700109.3N146 F183N146-Q176 WeakPolarHBondContact CB-O 3.41Å; N146-Q176 PolarHBondContact O-N 3Å; N146-Q176 VanDerWaalsContact O-N 3.11Å; Q176-F183 HydrophobicContact CB-CD1 4.49Å; Q176-F183 HydrophobicContact CB-CE1 4.38Å; Q176-F183 HydrophobicContact CG-CD1 4.34Å; Q176-F183 HydrophobicContact CG-CE1 3.97Å; Q176-F183 HydrophobicContact CG-CZ 4.44Å
177T68.7Low69.6Low36 Ų3675.2 Ų75.222%0.22135%0.348CS..EExtended strand (participates in β ladder)trans-73.6136174.9-54.60000108.7P180 R181 C182T177-P180 CarbonylContact C-O 3.59Å; T177-P180 VanDerWaalsContact C-O 3.3Å; T177-P180 WeakPolarHBondContact CB-O 2.93Å; T177-P180 CarbonylContact O-C 3.58Å; T177-R181 VanDerWaalsContact O-CA 3.28Å; T177-R181 WeakPolarHBondContact O-CA 3.27Å; T177-C182 PolarHBondContact N-O 3.38Å; T177-C182 VanDerWaalsContact N-O 3.07Å
178R69.2Low71.9Confident190 Ų19073.7 Ų73.772%0.71734%0.343SS*.EExtended strand (participates in β ladder)trans-78-36.4-179.7-69.2-170.7179.6-163.8-0.2113.1R181R178-R181 WeakPolarHBondContact O-CG 3.37Å
179R64.2Low74.1Confident235 Ų23571.8 Ų71.889%0.88733%0.33SS*.THydrogen-bonded Turntrans-138.698.5-178.6-73.9-168.2176.9126.9-1.6109
180P65.3Low76.2Confident44 Ų4465 Ų6529%0.28629%0.294SS..THydrogen-bonded Turncis-80.1156.5-0.320.8-10.7000112.4T177 C182 N206T177-P180 CarbonylContact C-O 3.59Å; T177-P180 VanDerWaalsContact C-O 3.3Å; T177-P180 WeakPolarHBondContact CB-O 2.93Å; T177-P180 CarbonylContact O-C 3.58Å; P180-C182 PolarHBondContact O-N 3.41Å; P180-N206 HydrophobicContact CG-CB 3.93Å; P180-N206 WeakPolarHBondContact CG-ND2 3.32Å; P180-N206 WeakPolarHBondContact CG-OD1 3.08Å
181R78.1Confident78.4Confident207 Ų20767 Ų6778%0.78130%0.301SS*.EExtended strand (participates in β ladder)trans-66.980.6173.5-68.9-174.9-179.2178.80.1110.1T177 R178T177-R181 VanDerWaalsContact O-CA 3.28Å; T177-R181 WeakPolarHBondContact O-CA 3.27Å; R178-R181 WeakPolarHBondContact O-CG 3.37Å
182C85.8Confident80Confident3 Ų361 Ų612%0.0227%0.273CS..EExtended strand (participates in β ladder)trans-124.4147.5-179.7-60.60000110T177 P180 V194 S195 N197T177-C182 PolarHBondContact N-O 3.38Å; T177-C182 VanDerWaalsContact N-O 3.07Å; P180-C182 PolarHBondContact O-N 3.41Å; C182-V194 HydrophobicContact CB-CG1 4.06Å; C182-S195 CarbonylContact C-O 3.48Å; C182-S195 VanDerWaalsContact CA-O 3.29Å; C182-S195 WeakPolarHBondContact CA-O 3.37Å; C182-S195 WeakPolarHBondContact CB-O 3.37Å; C182-N197 PolarHBondContact SG-OD1 2.91Å
183F87.5Confident81.4Confident97 Ų9760.4 Ų60.443%0.42527%0.268SS..EExtended strand (participates in β ladder)trans-97.3123.1171.5-66.2-81.8000108.6L175 Q176 V194 S195L175-F183 WeakPolarHBondContact O-CA 3.41Å; Q176-F183 HydrophobicContact CB-CD1 4.49Å; Q176-F183 HydrophobicContact CB-CE1 4.38Å; Q176-F183 HydrophobicContact CG-CD1 4.34Å; Q176-F183 HydrophobicContact CG-CE1 3.97Å; Q176-F183 HydrophobicContact CG-CZ 4.44Å; F183-V194 WeakPolarHBondContact O-CA 3.36Å; F183-S195 PolarHBondContact N-O 3.38Å; F183-S195 PolarHBondContact O-N 2.86Å
184V89.6Confident82.5Confident0 Ų060.4 Ų60.40%027%0.268CS..EExtended strand (participates in β ladder)trans-111.3124.9178.1-174.70000107.7V174 L175 I186 V192 I193 V194 V210V174-V184 CarbonylContact C-O 3.53Å; V174-V184 VanDerWaalsContact CA-O 3.25Å; V174-V184 WeakPolarHBondContact CA-O 3.22Å; L175-V184 HydrophobicContact CB-CB 4.13Å; L175-V184 PolarHBondContact N-O 3.07Å; L175-V184 PolarHBondContact O-N 2.8Å; V184-I186 HydrophobicContact CG1-CD1 4.32Å; V184-I186 HydrophobicContact CG1-CG1 3.87Å; V184-V192 HydrophobicContact CG1-CG1 3.47Å; V184-V192 VanDerWaalsContact CG1-CG1 3.47Å; V184-I193 CarbonylContact C-O 3.57Å; V184-I193 WeakPolarHBondContact CA-O 3.48Å; V184-V194 HydrophobicContact CG1-CG2 4.33Å; V184-V194 HydrophobicContact CG2-CG1 4.37Å; V184-V194 HydrophobicContact CG2-CG2 4.36Å; V184-V210 HydrophobicContact CG1-CG1 3.64Å; V184-V210 HydrophobicContact CG2-CG1 4.21Å; V184-V210 HydrophobicContact CG2-CG2 3.59Å
185K89.5Confident83.3Confident94 Ų9461.1 Ų61.141%0.40927%0.274SS..EExtended strand (participates in β ladder)trans-104.1127.7169.2-61.6-169.6175.4-170.30108.2V172 V173 V174 W187 V192 I193V172-K185 HydrophobicContact CG1-CB 4.03Å; V173-K185 CarbonylContact O-C 3.54Å; V173-K185 WeakPolarHBondContact O-CA 3.5Å; V174-K185 HydrophobicContact CG2-CG 4.29Å; K185-W187 HydrophobicContact CB-CE3 4.43Å; K185-W187 HydrophobicContact CB-CH2 3.48Å; K185-W187 VanDerWaalsContact CB-CH2 3.48Å; K185-W187 HydrophobicContact CB-CZ2 4.32Å; K185-W187 HydrophobicContact CB-CZ3 3.57Å; K185-W187 HydrophobicContact CD-CH2 4.22Å; K185-W187 HydrophobicContact CG-CH2 4.46Å; K185-W187 WeakPolarHBondContact O-CZ3 3.29Å; K185-V192 CarbonylContact O-C 3.54Å; K185-V192 WeakPolarHBondContact O-CA 3.44Å; K185-I193 HydrophobicContact CB-CB 4.45Å; K185-I193 PolarHBondContact N-O 3.26Å; K185-I193 PolarHBondContact O-N 2.99Å
186I89.4Confident84.2Confident0 Ų062.5 Ų62.50%029%0.289CS..EExtended strand (participates in β ladder)trans-119.7126.3-178.3-59.1161.5000108L135 L137 V140 V172 V173 L175 V184 V192 L214L135-I186 HydrophobicContact CD1-CG2 3.56Å; L137-I186 HydrophobicContact CD2-CG2 3.97Å; V140-I186 HydrophobicContact CG1-CD1 4.09Å; V172-I186 CarbonylContact C-O 3.25Å; V172-I186 VanDerWaalsContact CA-O 3.23Å; V172-I186 WeakPolarHBondContact CA-O 3.42Å; V173-I186 HydrophobicContact CB-CB 4.37Å; V173-I186 PolarHBondContact N-O 3.06Å; V173-I186 PolarHBondContact O-N 3.11Å; L175-I186 HydrophobicContact CD1-CD1 3.41Å; L175-I186 VanDerWaalsContact CD1-CD1 3.41Å; L175-I186 HydrophobicContact CG-CD1 3.95Å; V184-I186 HydrophobicContact CG1-CD1 4.32Å; V184-I186 HydrophobicContact CG1-CG1 3.87Å; I186-V192 HydrophobicContact CG1-CG1 4.17Å; I186-V192 HydrophobicContact CG1-CG2 4.27Å; I186-V192 HydrophobicContact CG2-CG2 4.31Å; I186-L214 HydrophobicContact CD1-CD1 4.42Å; I186-L214 HydrophobicContact CD1-CD2 3.77Å
187W90.1Very high85Confident56 Ų5658.6 Ų58.621%0.21227%0.27CS..EExtended strand (participates in β ladder)trans-96.5152.6175.1-69.5-101.8000111.5Q171 V172 K185 S189 G190 K191 I193Q171-W187 WeakPolarHBondContact O-CA 3.34Å; V172-W187 HydrophobicContact CG2-CD2 4.39Å; V172-W187 HydrophobicContact CG2-CG 4.2Å; K185-W187 HydrophobicContact CB-CE3 4.43Å; K185-W187 HydrophobicContact CB-CH2 3.48Å; K185-W187 VanDerWaalsContact CB-CH2 3.48Å; K185-W187 HydrophobicContact CB-CZ2 4.32Å; K185-W187 HydrophobicContact CB-CZ3 3.57Å; K185-W187 HydrophobicContact CD-CH2 4.22Å; K185-W187 HydrophobicContact CG-CH2 4.46Å; K185-W187 WeakPolarHBondContact O-CZ3 3.29Å; W187-S189 PolarHBondContact O-N 3.3Å; W187-G190 PolarHBondContact O-N 2.79Å; W187-K191 HydrophobicContact CB-CB 4.14Å; W187-K191 HydrophobicContact CD2-CB 4.36Å; W187-K191 HydrophobicContact CD2-CD 4.42Å; W187-K191 HydrophobicContact CE3-CB 4.07Å; W187-K191 HydrophobicContact CE3-CD 4.32Å; W187-K191 HydrophobicContact CE3-CG 4.05Å; W187-K191 VanDerWaalsContact CE3-O 3.3Å; W187-K191 HydrophobicContact CG-CB 4.42Å; W187-K191 PolarHBondContact N-O 3.38Å; W187-I193 HydrophobicContact CE3-CG1 4.47Å; W187-I193 HydrophobicContact CH2-CB 3.74Å; W187-I193 HydrophobicContact CH2-CD1 3.33Å; W187-I193 HydrophobicContact CH2-CG1 3.52Å; W187-I193 HydrophobicContact CZ2-CD1 4.18Å; W187-I193 HydrophobicContact CZ3-CB 3.58Å; W187-I193 HydrophobicContact CZ3-CD1 3.73Å; W187-I193 HydrophobicContact CZ3-CG1 3.37Å
188S87.1Confident85.9Confident36 Ų3662.3 Ų62.325%0.25229%0.288SS..THydrogen-bonded Turntrans-60.5-23.9174.955.10000113.2H134 L135 Q171 G190H134-S188 WeakPolarHBondContact CA-O 3.2Å; H134-S188 PolarHBondContact ND1-O 3.38Å; L135-S188 PolarHBondContact N-O 2.95Å; Q171-S188 PolarHBondContact O-N 3.06Å; S188-G190 PolarHBondContact O-N 2.83Å
189S89.6Confident86.8Confident64 Ų6455.9 Ų55.945%0.44827%0.272SS..THydrogen-bonded Turntrans-72-6.617460.30000114.6W187W187-S189 PolarHBondContact O-N 3.3Å
190G90Very high87.9Confident0 Ų047 Ų470%024%0.241CC..SBendtrans88.8-0.6-175.800000114.7N130 T131 C133 W187 S188N130-G190 PolarHBondContact OD1-O 3.21Å; T131-G190 PolarHBondContact N-O 3.29Å; T131-G190 WeakPolarHBondContact OG1-CA 3.31Å; T131-G190 PolarHBondContact OG1-O 2.88Å; T131-G190 VanDerWaalsContact OG1-O 3.05Å; C133-G190 WeakPolarHBondContact O-CA 3.25Å; W187-G190 PolarHBondContact O-N 2.79Å; S188-G190 PolarHBondContact O-N 2.83Å
191K93.4Very high89Confident78 Ų7850.9 Ų50.934%0.33926%0.255SS..EExtended strand (participates in β ladder)trans-66.6139.3168.5-170.4179.9-173.5178.20109.4M128 W187M128-K191 HydrophobicContact CG-CG 4.04Å; M128-K191 HydrophobicContact SD-CD 4.33Å; M128-K191 WeakPolarHBondContact SD-CE 3.49Å; M128-K191 HydrophobicContact SD-CG 4.25Å; W187-K191 HydrophobicContact CB-CB 4.14Å; W187-K191 HydrophobicContact CD2-CB 4.36Å; W187-K191 HydrophobicContact CD2-CD 4.42Å; W187-K191 HydrophobicContact CE3-CB 4.07Å; W187-K191 HydrophobicContact CE3-CD 4.32Å; W187-K191 HydrophobicContact CE3-CG 4.05Å; W187-K191 VanDerWaalsContact CE3-O 3.3Å; W187-K191 HydrophobicContact CG-CB 4.42Å; W187-K191 PolarHBondContact N-O 3.38Å
192V92.9Very high89.6Confident0 Ų044 Ų440%023%0.234CC..EExtended strand (participates in β ladder)trans-133.4132.8174.5-175.70000109.5M128 F129 T131 V184 K185 I186 V194 V210 L214M128-V192 CarbonylContact C-O 3.38Å; M128-V192 WeakPolarHBondContact CA-O 3.35Å; F129-V192 HydrophobicContact CD1-CB 4.06Å; F129-V192 HydrophobicContact CD1-CG1 4.25Å; F129-V192 HydrophobicContact CD2-CB 4.21Å; F129-V192 HydrophobicContact CD2-CG2 4.49Å; F129-V192 HydrophobicContact CE1-CB 3.64Å; F129-V192 HydrophobicContact CE1-CG1 3.45Å; F129-V192 VanDerWaalsContact CE1-CG1 3.45Å; F129-V192 HydrophobicContact CE1-CG2 4.49Å; F129-V192 HydrophobicContact CE2-CB 3.8Å; F129-V192 HydrophobicContact CE2-CG1 4.26Å; F129-V192 HydrophobicContact CE2-CG2 3.85Å; F129-V192 HydrophobicContact CG-CB 4.34Å; F129-V192 HydrophobicContact CZ-CB 3.5Å; F129-V192 HydrophobicContact CZ-CG1 3.46Å; F129-V192 VanDerWaalsContact CZ-CG1 3.46Å; F129-V192 HydrophobicContact CZ-CG2 3.86Å; F129-V192 PolarHBondContact N-O 2.84Å; F129-V192 PolarHBondContact O-N 3Å; T131-V192 HydrophobicContact CG2-CG2 3.89Å; V184-V192 HydrophobicContact CG1-CG1 3.47Å; V184-V192 VanDerWaalsContact CG1-CG1 3.47Å; K185-V192 CarbonylContact O-C 3.54Å; K185-V192 WeakPolarHBondContact O-CA 3.44Å; I186-V192 HydrophobicContact CG1-CG1 4.17Å; I186-V192 HydrophobicContact CG1-CG2 4.27Å; I186-V192 HydrophobicContact CG2-CG2 4.31Å; V192-V194 HydrophobicContact CG1-CG2 4.33Å; V192-V210 HydrophobicContact CG1-CG1 4.16Å; V192-L214 HydrophobicContact CG2-CD1 3.91Å
193I93.3Very high89.9Confident30 Ų3043.9 Ų43.915%0.15423%0.233CC..EExtended strand (participates in β ladder)trans-118.9126.6175.6-66.5-175.5000108.8V126 T127 M128 V184 K185 W187V126-I193 HydrophobicContact CG1-CG2 3.51Å; T127-I193 CarbonylContact O-C 3.59Å; T127-I193 VanDerWaalsContact O-CA 3.29Å; T127-I193 WeakPolarHBondContact O-CA 3.33Å; M128-I193 HydrophobicContact CB-CG1 4.12Å; M128-I193 HydrophobicContact CG-CG1 3.91Å; V184-I193 CarbonylContact C-O 3.57Å; V184-I193 WeakPolarHBondContact CA-O 3.48Å; K185-I193 HydrophobicContact CB-CB 4.45Å; K185-I193 PolarHBondContact N-O 3.26Å; K185-I193 PolarHBondContact O-N 2.99Å; W187-I193 HydrophobicContact CE3-CG1 4.47Å; W187-I193 HydrophobicContact CH2-CB 3.74Å; W187-I193 HydrophobicContact CH2-CD1 3.33Å; W187-I193 HydrophobicContact CH2-CG1 3.52Å; W187-I193 HydrophobicContact CZ2-CD1 4.18Å; W187-I193 HydrophobicContact CZ3-CB 3.58Å; W187-I193 HydrophobicContact CZ3-CD1 3.73Å; W187-I193 HydrophobicContact CZ3-CG1 3.37Å
194V92.1Very high90.2Very high0 Ų045.4 Ų45.40%024%0.236CC..EExtended strand (participates in β ladder)trans-112.7124.8178.3-172.50000108.8V126 T127 F129 C182 F183 V184 V192 V210V126-V194 WeakPolarHBondContact CA-O 3.33Å; T127-V194 PolarHBondContact N-O 3.05Å; T127-V194 PolarHBondContact O-N 3.42Å; F129-V194 HydrophobicContact CD1-CG2 4.46Å; F129-V194 HydrophobicContact CE1-CG2 3.88Å; C182-V194 HydrophobicContact CB-CG1 4.06Å; F183-V194 WeakPolarHBondContact O-CA 3.36Å; V184-V194 HydrophobicContact CG1-CG2 4.33Å; V184-V194 HydrophobicContact CG2-CG1 4.37Å; V184-V194 HydrophobicContact CG2-CG2 4.36Å; V192-V194 HydrophobicContact CG1-CG2 4.33Å; V194-V210 HydrophobicContact CG2-CG2 4.39Å
195S91Very high90.3Very high28 Ų2852.8 Ų52.820%0.19626%0.264CS..EExtended strand (participates in β ladder)trans-125.1158.4180-58.50000111.1V126 C182 F183V126-S195 WeakPolarHBondContact CG1-OG 3.34Å; C182-S195 CarbonylContact C-O 3.48Å; C182-S195 VanDerWaalsContact CA-O 3.29Å; C182-S195 WeakPolarHBondContact CA-O 3.37Å; C182-S195 WeakPolarHBondContact CB-O 3.37Å; F183-S195 PolarHBondContact N-O 3.38Å; F183-S195 PolarHBondContact O-N 2.86Å
196G88.3Confident90.5Very high32 Ų3249 Ų4933%0.3325%0.248SC..EExtended strand (participates in β ladder)trans9816.4178.200000114.1N124N124-G196 WeakPolarHBondContact OD1-CA 3.22Å; N124-G196 PolarHBondContact OD1-N 3.14Å
197N89.9Confident90.7Very high0 Ų049 Ų490%025%0.248CC..EExtended strand (participates in β ladder)trans-91.4137.6178.8-53.2-75.3000110.5N124 V125 C182 A203 N206N124-N197 CarbonylContact C-O 3.54Å; N124-N197 VanDerWaalsContact CA-O 3.28Å; N124-N197 WeakPolarHBondContact CA-O 3.21Å; N124-N197 PolarHBondContact OD1-N 2.95Å; V125-N197 HydrophobicContact CB-CB 4.24Å; V125-N197 PolarHBondContact N-O 3.27Å; V125-N197 PolarHBondContact O-ND2 3.12Å; V125-N197 VanDerWaalsContact O-ND2 3.12Å; C182-N197 PolarHBondContact SG-OD1 2.91Å; N197-A203 HydrophobicContact CB-CB 3.56Å; N197-A203 VanDerWaalsContact CG-CA 3.45Å; N197-N206 PolarHBondContact OD1-ND2 2.88Å
198L87.6Confident90.9Very high114 Ų11452.3 Ų52.360%0.59726%0.26SS*.SBendtrans-86.4-17.1179.1-61.2177000113.7I122I122-L198 WeakPolarHBondContact CG2-O 3.32Å
199S87.6Confident91.1Very high55 Ų5552.6 Ų52.639%0.38527%0.269SS..SBendtrans-142.8153-178.3174.80000109.4L202 A203S199-L202 PolarHBondContact O-N 2.67Å; S199-A203 WeakPolarHBondContact O-CB 3.44Å; S199-A203 PolarHBondContact O-N 2.93Å
200E87.1Confident91.1Very high50 Ų5049.9 Ų49.923%0.23425%0.25CC..Hα-helixtrans-66.5-42.1177.6-178.3-135172.700112Y6 L202 A203 R204 V229Y6-E200 HydrophobicContact CD2-CG 4.47Å; Y6-E200 HydrophobicContact CE2-CG 3.92Å; Y6-E200 VanDerWaalsContact CE2-OE1 3.3Å; Y6-E200 WeakPolarHBondContact CE2-OE1 3.39Å; Y6-E200 WeakPolarHBondContact CE2-OE2 3.28Å; Y6-E200 VanDerWaalsContact CZ-CD 3.47Å; Y6-E200 VanDerWaalsContact OH-CD 3.28Å; Y6-E200 PolarHBondContact OH-OE1 3.11Å; E200-L202 VanDerWaalsContact C-N 3.3Å; E200-L202 PolarHBondContact O-N 2.73Å; E200-A203 WeakPolarHBondContact O-CA 3.46Å; E200-A203 WeakPolarHBondContact O-CB 3.18Å; E200-A203 PolarHBondContact O-N 3.24Å; E200-A203 VanDerWaalsContact O-N 3.08Å; E200-R204 PolarHBondContact O-N 2.82Å; E200-V229 HydrophobicContact CG-CG2 4.03Å
201E90Very high91.3Very high125 Ų12550.2 Ų50.258%0.58425%0.252SS*.Hα-helixtrans-60.6-43.7176.9-165.6-159.5145.500111A203 R204 R205E201-A203 VanDerWaalsContact C-N 3.34Å; E201-R204 PolarHBondContact O-N 2.85Å; E201-R205 PolarHBondContact O-N 3.19Å; E201-R205 IonicContact OE1-CZ 3.16Å; E201-R205 IonicContact OE1-NH2 2.76Å; E201-R205 PolarHBondContact OE1-NH2 2.88Å
202L90.3Very high91.2Very high62 Ų6254 Ų5433%0.32526%0.264SS..Hα-helixtrans-62.7-42.9174.7-175.660000110.4S199 E200 R204 R205 N206S199-L202 PolarHBondContact O-N 2.67Å; E200-L202 VanDerWaalsContact C-N 3.3Å; E200-L202 PolarHBondContact O-N 2.73Å; L202-R204 VanDerWaalsContact C-N 3.32Å; L202-R204 PolarHBondContact O-N 3.46Å; L202-R205 PolarHBondContact O-N 3.16Å; L202-N206 WeakPolarHBondContact CG-ND2 3.42Å; L202-N206 WeakPolarHBondContact O-CB 3.37Å; L202-N206 PolarHBondContact O-N 2.88Å; L202-N206 PolarHBondContact O-ND2 3.49Å; L202-N206 PolarHBondContact O-OD1 2.88Å; L202-N206 VanDerWaalsContact O-OD1 3.11Å
203A91.6Very high90.9Very high0 Ų056.4 Ų56.40%028%0.276CS..Hα-helixtrans-60.1-40.2176.600000112.6V125 T127 N197 S199 E200 E201 S207V125-A203 HydrophobicContact CB-CB 4.27Å; V125-A203 HydrophobicContact CG1-CB 3.93Å; T127-A203 HydrophobicContact CG2-CB 3.53Å; N197-A203 HydrophobicContact CB-CB 3.56Å; N197-A203 VanDerWaalsContact CG-CA 3.45Å; S199-A203 WeakPolarHBondContact O-CB 3.44Å; S199-A203 PolarHBondContact O-N 2.93Å; E200-A203 WeakPolarHBondContact O-CA 3.46Å; E200-A203 WeakPolarHBondContact O-CB 3.18Å; E200-A203 PolarHBondContact O-N 3.24Å; E200-A203 VanDerWaalsContact O-N 3.08Å; E201-A203 VanDerWaalsContact C-N 3.34Å; A203-S207 VanDerWaalsContact O-CB 3.31Å; A203-S207 WeakPolarHBondContact O-CB 3.37Å; A203-S207 PolarHBondContact O-N 3.28Å; A203-S207 PolarHBondContact O-OG 2.93Å
204R93.1Very high90.8Very high129 Ų12955 Ų5549%0.48727%0.269SS..Hα-helixtrans-65.5-46.6175.5-168.4178.1-179.5106-1.2111.5E200 E201 L202 N206 S207 R208 Y227E200-R204 PolarHBondContact O-N 2.82Å; E201-R204 PolarHBondContact O-N 2.85Å; L202-R204 VanDerWaalsContact C-N 3.32Å; L202-R204 PolarHBondContact O-N 3.46Å; R204-N206 VanDerWaalsContact C-N 3.31Å; R204-N206 PolarHBondContact O-N 2.81Å; R204-S207 PolarHBondContact O-N 3.14Å; R204-R208 WeakPolarHBondContact O-CG 3.37Å; R204-R208 PolarHBondContact O-N 3.47Å; R204-Y227 VanDerWaalsContact CA-OH 3.28Å; R204-Y227 WeakPolarHBondContact CA-OH 3.47Å; R204-Y227 HydrophobicContact CB-CE1 4.2Å; R204-Y227 HydrophobicContact CB-CE2 4.41Å; R204-Y227 WeakPolarHBondContact CB-OH 3.48Å; R204-Y227 HydrophobicContact CG-CE1 3.98Å; R204-Y227 HydrophobicContact CG-CE2 4.43Å; R204-Y227 PolarHBondContact N-OH 3.31Å
205R93.3Very high90.8Very high156 Ų15659 Ų5959%0.58929%0.288SS*.Hα-helixtrans-58.2-44.6176.9-169.2178.9-60.6178.33.2111.4E201 L202 R208 G209E201-R205 PolarHBondContact O-N 3.19Å; E201-R205 IonicContact OE1-CZ 3.16Å; E201-R205 IonicContact OE1-NH2 2.76Å; E201-R205 PolarHBondContact OE1-NH2 2.88Å; L202-R205 PolarHBondContact O-N 3.16Å; R205-R208 PolarHBondContact O-N 2.55Å; R205-G209 PolarHBondContact O-N 2.94Å
206N92.7Very high90.7Very high14 Ų1466.4 Ų66.48%0.07532%0.316CS..Hα-helixtrans-69.9-41.2-178-61-8.9000111.4P180 N197 L202 R204 R208 G209 V210P180-N206 HydrophobicContact CG-CB 3.93Å; P180-N206 WeakPolarHBondContact CG-ND2 3.32Å; P180-N206 WeakPolarHBondContact CG-OD1 3.08Å; N197-N206 PolarHBondContact OD1-ND2 2.88Å; L202-N206 WeakPolarHBondContact CG-ND2 3.42Å; L202-N206 WeakPolarHBondContact O-CB 3.37Å; L202-N206 PolarHBondContact O-N 2.88Å; L202-N206 PolarHBondContact O-ND2 3.49Å; L202-N206 PolarHBondContact O-OD1 2.88Å; L202-N206 VanDerWaalsContact O-OD1 3.11Å; R204-N206 VanDerWaalsContact C-N 3.31Å; R204-N206 PolarHBondContact O-N 2.81Å; N206-R208 VanDerWaalsContact C-N 3.31Å; N206-R208 PolarHBondContact O-N 2.77Å; N206-G209 WeakPolarHBondContact O-CA 2.99Å; N206-G209 PolarHBondContact O-N 2.79Å; N206-G209 VanDerWaalsContact O-N 3.11Å; N206-V210 WeakPolarHBondContact O-CG2 3.4Å; N206-V210 PolarHBondContact O-N 2.82Å
207S93.5Very high90.6Very high0 Ų065.7 Ų65.70%031%0.306CS..Hα-helixtrans-60.8-41.1175.7-56.70000111.5T127 A203 R204 V210 A211T127-S207 PolarHBondContact OG1-OG 3.05Å; A203-S207 VanDerWaalsContact O-CB 3.31Å; A203-S207 WeakPolarHBondContact O-CB 3.37Å; A203-S207 PolarHBondContact O-N 3.28Å; A203-S207 PolarHBondContact O-OG 2.93Å; R204-S207 PolarHBondContact O-N 3.14Å; S207-V210 PolarHBondContact O-N 3.09Å; S207-A211 PolarHBondContact O-N 3.29Å
208R93.7Very high90.5Very high126 Ų12667.3 Ų67.348%0.47531%0.314SS..Hα-helixtrans-64.7-39.4172.9-69.6176.269.6-1784.7112.5R204 R205 N206 V210 A211 R212 F224R204-R208 WeakPolarHBondContact O-CG 3.37Å; R204-R208 PolarHBondContact O-N 3.47Å; R205-R208 PolarHBondContact O-N 2.55Å; N206-R208 VanDerWaalsContact C-N 3.31Å; N206-R208 PolarHBondContact O-N 2.77Å; R208-V210 VanDerWaalsContact C-N 3.34Å; R208-A211 PolarHBondContact O-N 3.06Å; R208-R212 WeakPolarHBondContact O-CG 3.29Å; R208-R212 PolarHBondContact O-N 2.84Å; R208-F224 HydrophobicContact CG-CD1 4.27Å; R208-F224 HydrophobicContact CG-CE1 3.89Å; R208-F224 HydrophobicContact CG-CE2 4.34Å; R208-F224 HydrophobicContact CG-CZ 3.9Å
209G91.8Very high90.5Very high41 Ų4162.6 Ų62.642%0.42329%0.294SS..Hα-helixtrans-60.1-44174.300000112.3R205 N206 R212 M213R205-G209 PolarHBondContact O-N 2.94Å; N206-G209 WeakPolarHBondContact O-CA 2.99Å; N206-G209 PolarHBondContact O-N 2.79Å; N206-G209 VanDerWaalsContact O-N 3.11Å; G209-R212 PolarHBondContact O-N 2.85Å; G209-M213 PolarHBondContact O-N 2.81Å
210V90.3Very high90.6Very high8 Ų864.9 Ų64.95%0.04831%0.307CS..Hα-helixtrans-63.9-44.1175.2174.30000111.2F129 V184 V192 V194 N206 S207 R208 R212 M213 L214F129-V210 HydrophobicContact CE1-CB 4.49Å; F129-V210 HydrophobicContact CE1-CG1 4.36Å; F129-V210 HydrophobicContact CZ-CB 4.3Å; F129-V210 HydrophobicContact CZ-CG1 3.96Å; V184-V210 HydrophobicContact CG1-CG1 3.64Å; V184-V210 HydrophobicContact CG2-CG1 4.21Å; V184-V210 HydrophobicContact CG2-CG2 3.59Å; V192-V210 HydrophobicContact CG1-CG1 4.16Å; V194-V210 HydrophobicContact CG2-CG2 4.39Å; N206-V210 WeakPolarHBondContact O-CG2 3.4Å; N206-V210 PolarHBondContact O-N 2.82Å; S207-V210 PolarHBondContact O-N 3.09Å; R208-V210 VanDerWaalsContact C-N 3.34Å; V210-R212 VanDerWaalsContact C-N 3.34Å; V210-R212 PolarHBondContact O-N 2.94Å; V210-M213 HydrophobicContact CG1-CE 4.19Å; V210-M213 WeakPolarHBondContact O-CB 3.28Å; V210-M213 PolarHBondContact O-N 2.86Å; V210-L214 HydrophobicContact CG1-CD1 4.27Å; V210-L214 WeakPolarHBondContact O-CG 3.11Å; V210-L214 PolarHBondContact O-N 3.01Å
211A92.8Very high90.7Very high6 Ų666.8 Ų66.85%0.0532%0.316CS..Hα-helixtrans-60.3-42.7177.100000112.2F129 S207 R208 M213 L214 Q215 F224F129-A211 HydrophobicContact CE2-CB 3.91Å; F129-A211 HydrophobicContact CZ-CB 4.13Å; S207-A211 PolarHBondContact O-N 3.29Å; R208-A211 PolarHBondContact O-N 3.06Å; A211-M213 PolarHBondContact O-N 3.08Å; A211-L214 PolarHBondContact O-N 3.39Å; A211-Q215 WeakPolarHBondContact O-CB 3.41Å; A211-Q215 PolarHBondContact O-N 3.48Å; A211-F224 HydrophobicContact CB-CB 4.06Å; A211-F224 HydrophobicContact CB-CD2 3.67Å; A211-F224 HydrophobicContact CB-CG 4.26Å
212R91.2Very high90.8Very high157 Ų15761 Ų6159%0.59229%0.289SS*.Hα-helixtrans-63.9-39.2174.5-73.7178.2175-178.9-3.3112.8R208 G209 V210 Q215 K216R208-R212 WeakPolarHBondContact O-CG 3.29Å; R208-R212 PolarHBondContact O-N 2.84Å; G209-R212 PolarHBondContact O-N 2.85Å; V210-R212 VanDerWaalsContact C-N 3.34Å; V210-R212 PolarHBondContact O-N 2.94Å; R212-Q215 PolarHBondContact O-N 3.19Å; R212-K216 WeakPolarHBondContact O-CG 3.36Å; R212-K216 PolarHBondContact O-N 2.98Å
213M88.1Confident90.9Very high52 Ų5263.3 Ų63.326%0.25630%0.298SS..Hα-helixtrans-62-45.5174.4174.8-164.47400110.6T144 L175 G209 V210 A211 Q215 K216 C217T144-M213 HydrophobicContact CG2-CE 4.47Å; T144-M213 HydrophobicContact CG2-SD 4.43Å; L175-M213 HydrophobicContact CD1-CE 3.3Å; L175-M213 HydrophobicContact CD1-SD 4.41Å; G209-M213 PolarHBondContact O-N 2.81Å; V210-M213 HydrophobicContact CG1-CE 4.19Å; V210-M213 WeakPolarHBondContact O-CB 3.28Å; V210-M213 PolarHBondContact O-N 2.86Å; A211-M213 PolarHBondContact O-N 3.08Å; M213-Q215 VanDerWaalsContact C-N 3.34Å; M213-Q215 PolarHBondContact O-N 3.19Å; M213-K216 PolarHBondContact O-N 2.86Å; M213-C217 PolarHBondContact O-N 2.78Å; M213-C217 PolarHBondContact O-SG 3.2Å
214L89.9Confident91.1Very high0 Ų066.5 Ų66.50%031%0.312CS..Hα-helixtrans-62.2-41.3175.8-69.6176000111.9T131 V140 I186 V192 V210 A211 K216 C217 I218 V222T131-L214 HydrophobicContact CG2-CD1 4.05Å; V140-L214 HydrophobicContact CG1-CD2 4.07Å; I186-L214 HydrophobicContact CD1-CD1 4.42Å; I186-L214 HydrophobicContact CD1-CD2 3.77Å; V192-L214 HydrophobicContact CG2-CD1 3.91Å; V210-L214 HydrophobicContact CG1-CD1 4.27Å; V210-L214 WeakPolarHBondContact O-CG 3.11Å; V210-L214 PolarHBondContact O-N 3.01Å; A211-L214 PolarHBondContact O-N 3.39Å; L214-K216 VanDerWaalsContact C-N 3.3Å; L214-K216 PolarHBondContact O-N 2.8Å; L214-C217 PolarHBondContact O-N 2.76Å; L214-I218 HydrophobicContact CB-CD1 4.06Å; L214-I218 HydrophobicContact CD2-CD1 3.96Å; L214-I218 WeakPolarHBondContact O-CB 3.3Å; L214-I218 PolarHBondContact O-N 2.89Å; L214-V222 HydrophobicContact CB-CG1 3.9Å; L214-V222 HydrophobicContact CB-CG2 4.43Å
215Q92.2Very high91.1Very high85 Ų8561.7 Ų61.740%0.39730%0.299SS..Hα-helixtrans-60.8-38.3175.8-162.7179.317.100112.3A211 R212 M213 G219 V222A211-Q215 WeakPolarHBondContact O-CB 3.41Å; A211-Q215 PolarHBondContact O-N 3.48Å; R212-Q215 PolarHBondContact O-N 3.19Å; M213-Q215 VanDerWaalsContact C-N 3.34Å; M213-Q215 PolarHBondContact O-N 3.19Å; Q215-G219 WeakPolarHBondContact CA-O 3.4Å; Q215-G219 WeakPolarHBondContact CG-O 3.39Å; Q215-G219 CarbonylContact O-C 3.53Å; Q215-G219 VanDerWaalsContact O-C 3.25Å; Q215-G219 VanDerWaalsContact O-CA 3.25Å; Q215-G219 WeakPolarHBondContact O-CA 3.37Å; Q215-G219 PolarHBondContact O-N 2.99Å; Q215-G219 VanDerWaalsContact O-O 3.04Å; Q215-V222 HydrophobicContact CB-CB 4.12Å; Q215-V222 HydrophobicContact CB-CG1 4.45Å; Q215-V222 HydrophobicContact CG-CB 4.38Å
216K89.2Confident91.1Very high183 Ų18359.2 Ų59.280%0.79630%0.298SS*.Hα-helixtrans-69.1-37.6174.1-71.7-179.6179.2-169.20113R212 M213 L214R212-K216 WeakPolarHBondContact O-CG 3.36Å; R212-K216 PolarHBondContact O-N 2.98Å; M213-K216 PolarHBondContact O-N 2.86Å; L214-K216 VanDerWaalsContact C-N 3.3Å; L214-K216 PolarHBondContact O-N 2.8Å
217C86Confident91.2Very high17 Ų1760.6 Ų60.612%0.11530%0.302CS..Hα-helixtrans-80.8-34.3-176.5-66.30000113.2R143 T144 M213 L214R143-C217 HydrophobicContact CB-CB 4.17Å; R143-C217 WeakPolarHBondContact CD-O 3.36Å; R143-C217 PolarHBondContact NH1-O 2.85Å; T144-C217 HydrophobicContact CG2-CB 4.32Å; T144-C217 WeakPolarHBondContact CG2-SG 2.94Å; M213-C217 PolarHBondContact O-N 2.78Å; M213-C217 PolarHBondContact O-SG 3.2Å; L214-C217 PolarHBondContact O-N 2.76Å
218I87.2Confident91.2Very high33 Ų3367.2 Ų67.217%0.16933%0.327CS..Hα-helixtrans-103.8-44.1-172.7-67.1148.2000110.9L135 V140 L214 Q221 V222L135-I218 HydrophobicContact CD1-CD1 4.32Å; L135-I218 HydrophobicContact CD2-CD1 3.54Å; L135-I218 HydrophobicContact CD2-CG1 4.47Å; L135-I218 HydrophobicContact CD2-CG2 4.35Å; L135-I218 HydrophobicContact CG-CD1 4.4Å; V140-I218 HydrophobicContact CG2-CD1 3.61Å; V140-I218 HydrophobicContact CG2-CG1 3.82Å; L214-I218 HydrophobicContact CB-CD1 4.06Å; L214-I218 HydrophobicContact CD2-CD1 3.96Å; L214-I218 WeakPolarHBondContact O-CB 3.3Å; L214-I218 PolarHBondContact O-N 2.89Å; I218-Q221 HydrophobicContact CG2-CG 4.32Å; I218-Q221 PolarHBondContact O-NE2 3.48Å; I218-V222 HydrophobicContact CB-CG2 3.96Å; I218-V222 HydrophobicContact CD1-CG2 3.99Å; I218-V222 HydrophobicContact CG2-CG2 4Å
219G88.5Confident91Very high16 Ų1662.7 Ų62.717%0.16531%0.314CS..  trans136.5-178.6-177.600000113.1Q215 Q221 V222Q215-G219 WeakPolarHBondContact CA-O 3.4Å; Q215-G219 WeakPolarHBondContact CG-O 3.39Å; Q215-G219 CarbonylContact O-C 3.53Å; Q215-G219 VanDerWaalsContact O-C 3.25Å; Q215-G219 VanDerWaalsContact O-CA 3.25Å; Q215-G219 WeakPolarHBondContact O-CA 3.37Å; Q215-G219 PolarHBondContact O-N 2.99Å; Q215-G219 VanDerWaalsContact O-O 3.04Å; G219-Q221 PolarHBondContact O-N 2.84Å; G219-Q221 VanDerWaalsContact O-N 3.16Å; G219-V222 PolarHBondContact O-N 3.17Å
220P88.8Confident90.8Very high102 Ų10261.9 Ų61.966%0.66230%0.301SS*.THydrogen-bonded Turntrans-66.3-14.6-17428.1-35.5000114.6V222P220-V222 PolarHBondContact O-N 2.87Å
221Q90.1Very high90.6Very high90 Ų9064.2 Ų64.242%0.42131%0.313SS..THydrogen-bonded Turntrans-66.5-1217966.4-88.129.700114.6C133 I218 G219 H223C133-Q221 HydrophobicContact CB-CG 4.3Å; C133-Q221 PolarHBondContact SG-O 3.39Å; C133-Q221 VanDerWaalsContact SG-O 3.38Å; I218-Q221 HydrophobicContact CG2-CG 4.32Å; I218-Q221 PolarHBondContact O-NE2 3.48Å; G219-Q221 PolarHBondContact O-N 2.84Å; G219-Q221 VanDerWaalsContact O-N 3.16Å; Q221-H223 PolarHBondContact O-CD2 3.06Å; Q221-H223 PolarHBondContact O-N 3.25Å
222V92.3Very high90.3Very high4 Ų464.1 Ų64.12%0.02431%0.312CS..  trans-80.5113.5178176.50000109.8T131 L135 L214 Q215 I218 G219 P220T131-V222 HydrophobicContact CG2-CG1 3.83Å; L135-V222 HydrophobicContact CD2-CG2 4.36Å; L214-V222 HydrophobicContact CB-CG1 3.9Å; L214-V222 HydrophobicContact CB-CG2 4.43Å; Q215-V222 HydrophobicContact CB-CB 4.12Å; Q215-V222 HydrophobicContact CB-CG1 4.45Å; Q215-V222 HydrophobicContact CG-CB 4.38Å; I218-V222 HydrophobicContact CB-CG2 3.96Å; I218-V222 HydrophobicContact CD1-CG2 3.99Å; I218-V222 HydrophobicContact CG2-CG2 4Å; G219-V222 PolarHBondContact O-N 3.17Å; P220-V222 PolarHBondContact O-N 2.87Å
223H93Very high90.1Very high111 Ų11159.9 Ų59.951%0.51430%0.299SS..  trans-102.2161.3174.2-66.9-74.9000111.7T131 C132 Q221T131-H223 VanDerWaalsContact CA-O 3.25Å; T131-H223 WeakPolarHBondContact CA-O 3.38Å; T131-H223 PolarHBondContact O-N 3.21Å; C132-H223 HydrophobicContact CB-CB 4.43Å; Q221-H223 PolarHBondContact O-CD2 3.06Å; Q221-H223 PolarHBondContact O-N 3.25Å
224F94.7Very high90Very high67 Ų6757.4 Ų57.429%0.29429%0.287SS..  trans-107.492.4172.1-179.5-102.6000108.6F129 R208 A211 Y227F129-F224 HydrophobicContact CB-CD2 4.09Å; F129-F224 HydrophobicContact CB-CE2 3.74Å; F129-F224 HydrophobicContact CB-CZ 4.43Å; F129-F224 HydrophobicContact CD1-CD2 4.36Å; F129-F224 AromaticContact CD1-CE2 3.83Å; F129-F224 HydrophobicContact CD1-CE2 3.83Å; F129-F224 AromaticContact CD2-CD2 3.62Å; F129-F224 HydrophobicContact CD2-CD2 3.62Å; F129-F224 AromaticContact CD2-CE2 3.92Å; F129-F224 HydrophobicContact CD2-CE2 3.92Å; F129-F224 HydrophobicContact CE1-CE2 4.37Å; F129-F224 HydrophobicContact CE2-CD2 4.06Å; F129-F224 HydrophobicContact CE2-CE2 4.46Å; F129-F224 AromaticContact CG-CD2 3.78Å; F129-F224 HydrophobicContact CG-CD2 3.78Å; F129-F224 AromaticContact CG-CE2 3.57Å; F129-F224 HydrophobicContact CG-CE2 3.57Å; R208-F224 HydrophobicContact CG-CD1 4.27Å; R208-F224 HydrophobicContact CG-CE1 3.89Å; R208-F224 HydrophobicContact CG-CE2 4.34Å; R208-F224 HydrophobicContact CG-CZ 3.9Å; A211-F224 HydrophobicContact CB-CB 4.06Å; A211-F224 HydrophobicContact CB-CD2 3.67Å; A211-F224 HydrophobicContact CB-CG 4.26Å; F224-Y227 HydrophobicContact CE1-CD2 4.35Å; F224-Y227 HydrophobicContact CE1-CG 4.19Å; F224-Y227 HydrophobicContact CE2-CD2 4.11Å; F224-Y227 AromaticContact CZ-CD2 3.45Å; F224-Y227 HydrophobicContact CZ-CD2 3.45Å; F224-Y227 VanDerWaalsContact CZ-CD2 3.45Å; F224-Y227 HydrophobicContact CZ-CE2 4.32Å; F224-Y227 AromaticContact CZ-CG 3.73Å; F224-Y227 HydrophobicContact CZ-CG 3.73Å
225A94.4Very high89.9Confident27 Ų2758.9 Ų58.922%0.22330%0.296CS..EExtended strand (participates in β ladder)trans-120.2166.9-177.200000112F129 N130 C132 Y227F129-A225 WeakPolarHBondContact CB-O 3.37Å; N130-A225 PolarHBondContact N-O 3.16Å; N130-A225 PolarHBondContact O-N 2.6Å; C132-A225 WeakPolarHBondContact SG-CB 2.99Å; A225-Y227 PolarHBondContact O-N 2.87Å
226D93.1Very high89.6Confident105 Ų10555 Ų5556%0.56128%0.279SS*.EExtended strand (participates in β ladder)trans49.536.1173.3-55.9-31.4000115.3N130 R228N130-D226 HydrophobicContact CB-CB 4.13Å; D226-R228 PolarHBondContact O-N 3.22Å
227Y94.3Very high89.4Confident42 Ų4253.5 Ų53.517%0.16527%0.272CS..EExtended strand (participates in β ladder)trans-64.7120.7178174.2-93.8000110.4T127 M128 F129 R204 F224 A225T127-Y227 HydrophobicContact CG2-CE2 3.7Å; T127-Y227 WeakPolarHBondContact CG2-OH 3.36Å; M128-Y227 CarbonylContact O-C 3.56Å; M128-Y227 WeakPolarHBondContact O-CA 3.19Å; F129-Y227 HydrophobicContact CB-CD2 4.42Å; R204-Y227 VanDerWaalsContact CA-OH 3.28Å; R204-Y227 WeakPolarHBondContact CA-OH 3.47Å; R204-Y227 HydrophobicContact CB-CE1 4.2Å; R204-Y227 HydrophobicContact CB-CE2 4.41Å; R204-Y227 WeakPolarHBondContact CB-OH 3.48Å; R204-Y227 HydrophobicContact CG-CE1 3.98Å; R204-Y227 HydrophobicContact CG-CE2 4.43Å; R204-Y227 PolarHBondContact N-OH 3.31Å; F224-Y227 HydrophobicContact CE1-CD2 4.35Å; F224-Y227 HydrophobicContact CE1-CG 4.19Å; F224-Y227 HydrophobicContact CE2-CD2 4.11Å; F224-Y227 AromaticContact CZ-CD2 3.45Å; F224-Y227 HydrophobicContact CZ-CD2 3.45Å; F224-Y227 VanDerWaalsContact CZ-CD2 3.45Å; F224-Y227 HydrophobicContact CZ-CE2 4.32Å; F224-Y227 AromaticContact CZ-CG 3.73Å; F224-Y227 HydrophobicContact CZ-CG 3.73Å; A225-Y227 PolarHBondContact O-N 2.87Å
228R92.3Very high89.2Confident139 Ų13953 Ų5353%0.52527%0.268SS..EExtended strand (participates in β ladder)trans-143.5150.217663.9-175.1-179.1-160.3-4.3112.1T127 M128 D226 T230T127-R228 CarbonylContact C-O 3.54Å; T127-R228 WeakPolarHBondContact CA-O 3.37Å; M128-R228 HydrophobicContact CB-CG 4.36Å; M128-R228 HydrophobicContact CE-CG 3.98Å; M128-R228 VanDerWaalsContact CE-NH2 3.27Å; M128-R228 PolarHBondContact N-O 3.42Å; M128-R228 PolarHBondContact O-N 2.93Å; M128-R228 PolarHBondContact SD-NE 2.85Å; M128-R228 PolarHBondContact SD-NH2 2.87Å; D226-R228 PolarHBondContact O-N 3.22Å; R228-T230 HydrophobicContact CG-CG2 4.44Å
229V89.9Confident89Confident31 Ų3157.5 Ų57.519%0.18830%0.299CS..EExtended strand (participates in β ladder)trans-80.1121.9168.3-176.10000108.1V125 T127 E200 I232V125-V229 HydrophobicContact CG1-CG1 3.9Å; T127-V229 HydrophobicContact CG2-CG2 4.21Å; E200-V229 HydrophobicContact CG-CG2 4.03Å; V229-I232 HydrophobicContact CG1-CD1 3.92Å; V229-I232 HydrophobicContact CG1-CG1 3.52Å
230T88.2Confident88.8Confident25 Ų2560.9 Ų60.915%0.15331%0.31CS..EExtended strand (participates in β ladder)trans-92.5-38.6-177.656.90000112.8V126 M128 R228 K290V126-T230 VanDerWaalsContact CG1-OG1 3.27Å; V126-T230 WeakPolarHBondContact CG1-OG1 3.32Å; V126-T230 PolarHBondContact O-N 2.75Å; V126-T230 PolarHBondContact O-OG1 2.78Å; M128-T230 HydrophobicContact CB-CG2 3.36Å; M128-T230 HydrophobicContact CG-CG2 4.36Å; M128-T230 HydrophobicContact SD-CG2 4.38Å; R228-T230 HydrophobicContact CG-CG2 4.44Å; T230-K290 WeakPolarHBondContact O-CE 3.44Å; T230-K290 WeakPolarHBondContact O-CG 3.48Å
231N86.5Confident88.5Confident56 Ų5659.8 Ų59.830%0.29931%0.309SS..EExtended strand (participates in β ladder)trans-153.3146.2-178.9-167.111.5000109V126 G288V126-N231 HydrophobicContact CB-CB 4.22Å; V126-N231 HydrophobicContact CG2-CB 4.46Å; V126-N231 PolarHBondContact N-O 2.82Å; V126-N231 PolarHBondContact O-N 2.86Å; N231-G288 WeakPolarHBondContact OD1-CA 3.28Å; N231-G288 PolarHBondContact OD1-N 2.83Å
232I86.9Confident88.1Confident5 Ų556.3 Ų56.33%0.02629%0.293CS..EExtended strand (participates in β ladder)trans-127.2140.2169.4-51.5170.5000107Y6 Y7 I122 N124 V125 V229 G288Y6-I232 VanDerWaalsContact CB-CD1 3.47Å; Y6-I232 HydrophobicContact CD1-CD1 4.33Å; Y6-I232 HydrophobicContact CG-CD1 3.84Å; Y7-I232 HydrophobicContact CE2-CB 3.9Å; Y7-I232 HydrophobicContact CE2-CD1 4.31Å; Y7-I232 HydrophobicContact CE2-CG2 3.39Å; Y7-I232 VanDerWaalsContact OH-C 3.29Å; Y7-I232 WeakPolarHBondContact OH-CB 3.22Å; Y7-I232 WeakPolarHBondContact OH-CG2 3.04Å; Y7-I232 PolarHBondContact OH-O 3.22Å; Y7-I232 VanDerWaalsContact OH-O 3.06Å; I122-I232 HydrophobicContact CD1-CG2 4.45Å; I122-I232 HydrophobicContact CG2-CG2 3.99Å; N124-I232 WeakPolarHBondContact O-CA 3.46Å; V125-I232 HydrophobicContact CG1-CG1 4.32Å; V125-I232 HydrophobicContact CG2-CG2 4.08Å; V229-I232 HydrophobicContact CG1-CD1 3.92Å; V229-I232 HydrophobicContact CG1-CG1 3.52Å; I232-G288 PolarHBondContact O-N 3.45Å
233M86.2Confident87.7Confident67 Ų6764.6 Ų64.633%0.3332%0.324SS..EExtended strand (participates in β ladder)trans-118.1122.4176.1-176.1-178.2-69.800108.6R123 N124 T285 I286 T287R123-M233 PolarHBondContact N-O 2.87Å; N124-M233 HydrophobicContact CB-CB 4.11Å; N124-M233 PolarHBondContact N-O 3.38Å; N124-M233 PolarHBondContact O-N 3.48Å; M233-T285 HydrophobicContact CG-CG2 4.03Å; M233-T285 HydrophobicContact SD-CG2 4.37Å; M233-I286 WeakPolarHBondContact CA-O 3.41Å; M233-T287 HydrophobicContact CE-CG2 3.92Å; M233-T287 HydrophobicContact CG-CG2 4.13Å
234A86.7Confident87.4Confident0 Ų059.7 Ų59.70%030%0.301CS..EExtended strand (participates in β ladder)trans-120.3151.9173.800000110.1Y7 L120 R121 I286Y7-A234 HydrophobicContact CE2-CB 4.24Å; L120-A234 HydrophobicContact CD2-CB 4.04Å; L120-A234 HydrophobicContact CG-CB 4.28Å; R121-A234 CarbonylContact O-C 3.57Å; R121-A234 VanDerWaalsContact O-CA 3.32Å; R121-A234 WeakPolarHBondContact O-CA 3.47Å; A234-I286 HydrophobicContact CB-CB 4.43Å; A234-I286 PolarHBondContact N-O 2.79Å; A234-I286 PolarHBondContact O-N 2.73Å
235T87.4Confident86.9Confident31 Ų3165.9 Ų65.919%0.1932%0.323CS..EExtended strand (participates in β ladder)trans-123.8141.3173.956.70000109.5R121 R123 I284 T285R121-T235 PolarHBondContact N-O 2.9Å; R121-T235 PolarHBondContact O-N 2.9Å; R123-T235 HydrophobicContact CG-CG2 3.54Å; R123-T235 WeakPolarHBondContact CG-OG1 3.36Å; R123-T235 PolarHBondContact NE-OG1 3.25Å; T235-I284 CarbonylContact C-O 3.3Å; T235-I284 WeakPolarHBondContact CA-O 3.3Å; T235-T285 HydrophobicContact CG2-CG2 4.41Å
236C85.6Confident86.3Confident5 Ų569.5 Ų69.53%0.03434%0.335CS..EExtended strand (participates in β ladder)trans-131.7145.6177.7157.30000108.1I118 I284I118-C236 HydrophobicContact CG2-CB 4.37Å; I118-C236 WeakPolarHBondContact CG2-SG 3.22Å; C236-I284 HydrophobicContact CB-CB 4.37Å; C236-I284 PolarHBondContact N-O 3.06Å; C236-I284 PolarHBondContact O-N 3.21Å
237K84.5Confident85.7Confident151 Ų15165.1 Ų65.166%0.65731%0.312SS*.EExtended strand (participates in β ladder)trans-124.5124.8172.4-172.4177.4-179.4-177.60109.2
238L81.8Confident85.1Confident7 Ų764.1 Ų64.14%0.03731%0.312CS..  trans-85151.2174.1-57.2180000110.4I16 I118 F240 I242 G282 I284I16-L238 HydrophobicContact CG2-CD1 4.32Å; I16-L238 HydrophobicContact CG2-CD2 3.66Å; I118-L238 HydrophobicContact CD1-CD2 4.04Å; I118-L238 HydrophobicContact CG1-CD2 4.18Å; I118-L238 HydrophobicContact CG2-CD2 4.27Å; L238-F240 HydrophobicContact CB-CE1 4.46Å; L238-F240 HydrophobicContact CB-CE2 4.42Å; L238-F240 HydrophobicContact CB-CZ 4.32Å; L238-F240 HydrophobicContact CD1-CE2 3.86Å; L238-F240 HydrophobicContact CD1-CZ 3.9Å; L238-F240 PolarHBondContact O-N 3.46Å; L238-I242 HydrophobicContact CD1-CD1 3.61Å; L238-I242 HydrophobicContact CD1-CG1 4.24Å; L238-G282 WeakPolarHBondContact CB-O 3.44Å; L238-G282 PolarHBondContact N-O 3.38Å; L238-I284 HydrophobicContact CD1-CD1 3.79Å; L238-I284 HydrophobicContact CG-CD1 4.08Å
239P84.2Confident84.8Confident126 Ų12662.5 Ų62.582%0.81832%0.318SS*.SBendtrans-77.60.7178.231.2-33.5000113.6
240F83Confident84.5Confident88 Ų8865.2 Ų65.239%0.38633%0.331SS..SBendtrans-135.3158.7-178.554.5-99000111.8V20 L238 I242 G282V20-F240 HydrophobicContact CG2-CZ 3.81Å; L238-F240 HydrophobicContact CB-CE1 4.46Å; L238-F240 HydrophobicContact CB-CE2 4.42Å; L238-F240 HydrophobicContact CB-CZ 4.32Å; L238-F240 HydrophobicContact CD1-CE2 3.86Å; L238-F240 HydrophobicContact CD1-CZ 3.9Å; L238-F240 PolarHBondContact O-N 3.46Å; F240-I242 HydrophobicContact CE2-CG1 4.31Å; F240-G282 WeakPolarHBondContact O-CA 3.37Å
241A83Confident84.4Confident78 Ų7867.2 Ų67.265%0.64534%0.338SS*.  trans-78.9148.3175.200000111.7A280A241-A280 CarbonylContact C-O 3.38Å; A241-A280 VanDerWaalsContact CA-O 3.3Å; A241-A280 WeakPolarHBondContact CA-O 3.4Å; A241-A280 WeakPolarHBondContact CB-O 3.1Å
242I81.4Confident84.4Confident17 Ų1769.2 Ų69.29%0.08735%0.354CS..  trans-108.4129.1179.5-62.5170.2000109.6L238 F240 I244 L247 I278 A280L238-I242 HydrophobicContact CD1-CD1 3.61Å; L238-I242 HydrophobicContact CD1-CG1 4.24Å; F240-I242 HydrophobicContact CE2-CG1 4.31Å; I242-I244 VanDerWaalsContact C-N 3.31Å; I242-I244 HydrophobicContact CG2-CG1 4.27Å; I242-I244 PolarHBondContact O-N 3.01Å; I242-L247 HydrophobicContact CG2-CD2 4.4Å; I242-I278 HydrophobicContact CB-CG2 4.49Å; I242-I278 HydrophobicContact CD1-CG2 3.47Å; I242-I278 VanDerWaalsContact CD1-CG2 3.47Å; I242-I278 HydrophobicContact CG2-CG2 4.32Å; I242-A280 PolarHBondContact N-O 3.23Å
243R84.8Confident84.3Confident178 Ų17878.2 Ų78.267%0.67239%0.393SS*.  trans-76.781.4170.5-65.9-177.3-177.8179.5-0.6110N36 R245 Q246 L247N36-R243 PolarHBondContact O-NH2 3.19Å; R243-R245 VanDerWaalsContact C-N 3.32Å; R243-R245 PolarHBondContact O-N 3.15Å; R243-Q246 HydrophobicContact CB-CB 4.25Å; R243-Q246 PolarHBondContact O-N 2.92Å; R243-L247 PolarHBondContact O-N 3.43Å
244I85.6Confident84.1Confident8 Ų878.6 Ų78.64%0.04139%0.393CS..Hα-helixtrans-57-40.9-174.4-70.4-177.8000113.4I242 Q246 L247 A248 Y257 L265 I278 H279 A280I242-I244 VanDerWaalsContact C-N 3.31Å; I242-I244 HydrophobicContact CG2-CG1 4.27Å; I242-I244 PolarHBondContact O-N 3.01Å; I244-Q246 VanDerWaalsContact C-N 3.31Å; I244-Q246 PolarHBondContact O-N 2.96Å; I244-L247 WeakPolarHBondContact O-CB 3.48Å; I244-L247 PolarHBondContact O-N 2.92Å; I244-A248 PolarHBondContact O-N 3.26Å; I244-Y257 HydrophobicContact CG2-CD1 4.15Å; I244-Y257 HydrophobicContact CG2-CD2 3.43Å; I244-Y257 VanDerWaalsContact CG2-CD2 3.43Å; I244-Y257 HydrophobicContact CG2-CE1 4.22Å; I244-Y257 HydrophobicContact CG2-CE2 3.51Å; I244-Y257 HydrophobicContact CG2-CG 3.76Å; I244-L265 HydrophobicContact CG2-CB 3.45Å; I244-L265 VanDerWaalsContact CG2-CB 3.45Å; I244-L265 HydrophobicContact CG2-CD1 3.75Å; I244-L265 HydrophobicContact CG2-CG 4.27Å; I244-I278 VanDerWaalsContact CD1-O 3.3Å; I244-I278 WeakPolarHBondContact CD1-O 3.49Å; I244-H279 VanDerWaalsContact CD1-C 3.45Å; I244-A280 HydrophobicContact CD1-CB 3.94Å; I244-A280 HydrophobicContact CG1-CB 4.32Å
245R84.8Confident84Confident197 Ų19779.1 Ų79.174%0.74340%0.397SS*.Hα-helixtrans-60.2-43.2-179-68.4-176.3-173.9-176.10.7111.7R243 A248 V249 Y257R243-R245 VanDerWaalsContact C-N 3.32Å; R243-R245 PolarHBondContact O-N 3.15Å; R245-A248 WeakPolarHBondContact O-CB 3.47Å; R245-A248 PolarHBondContact O-N 3.39Å; R245-V249 WeakPolarHBondContact O-CG2 3.39Å; R245-V249 PolarHBondContact O-N 3.41Å; R245-Y257 HydrophobicContact CG-CE1 3.87Å
246Q83.2Confident84.1Confident104 Ų10479.6 Ų79.649%0.48640%0.402SS..Hα-helixtrans-64.3-45.7176.9-169.861.444.500110.6R243 I244 A248 V249 D250R243-Q246 HydrophobicContact CB-CB 4.25Å; R243-Q246 PolarHBondContact O-N 2.92Å; I244-Q246 VanDerWaalsContact C-N 3.31Å; I244-Q246 PolarHBondContact O-N 2.96Å; Q246-A248 PolarHBondContact O-N 3.46Å; Q246-V249 PolarHBondContact O-N 2.84Å; Q246-D250 PolarHBondContact NE2-OD1 3.31Å; Q246-D250 PolarHBondContact O-N 3.01Å
247L80.1Confident84.3Confident12 Ų1282.1 Ų82.16%0.06341%0.411CS..Hα-helixtrans-58.5-35.4177.6-172.571000112.7L19 I242 R243 I244 F251 L265 W267 I278L19-L247 HydrophobicContact CD2-CD1 3.49Å; L19-L247 VanDerWaalsContact CD2-CD1 3.49Å; L19-L247 HydrophobicContact CD2-CD2 3.69Å; L19-L247 HydrophobicContact CD2-CG 4.18Å; I242-L247 HydrophobicContact CG2-CD2 4.4Å; R243-L247 PolarHBondContact O-N 3.43Å; I244-L247 WeakPolarHBondContact O-CB 3.48Å; I244-L247 PolarHBondContact O-N 2.92Å; L247-F251 HydrophobicContact CD1-CD2 3.65Å; L247-F251 HydrophobicContact CD1-CE2 3.84Å; L247-F251 HydrophobicContact CG-CD2 4.43Å; L247-F251 PolarHBondContact O-N 3.45Å; L247-F251 VanDerWaalsContact O-N 3.16Å; L247-L265 HydrophobicContact CB-CD1 4.27Å; L247-L265 HydrophobicContact CD2-CD1 4.04Å; L247-L265 HydrophobicContact CD2-CD2 4.15Å; L247-L265 HydrophobicContact CG-CD1 4.23Å; L247-W267 HydrophobicContact CD1-CZ3 4.14Å; L247-W267 HydrophobicContact CD2-CE3 4.44Å; L247-W267 HydrophobicContact CG-CZ3 4.27Å; L247-I278 HydrophobicContact CD2-CD1 4.08Å
248A82.2Confident84.5Confident21 Ų2180 Ų8017%0.17440%0.403CS..Hα-helixtrans-66.5-38.9176.600000112.8I244 R245 Q246 S255 Y257 L265I244-A248 PolarHBondContact O-N 3.26Å; R245-A248 WeakPolarHBondContact O-CB 3.47Å; R245-A248 PolarHBondContact O-N 3.39Å; Q246-A248 PolarHBondContact O-N 3.46Å; A248-S255 WeakPolarHBondContact CA-OG 3.35Å; A248-Y257 HydrophobicContact CB-CD1 4.47Å; A248-Y257 HydrophobicContact CB-CG 4.46Å; A248-L265 HydrophobicContact CB-CD1 3.95Å
249V85.4Confident84.9Confident106 Ų10682.8 Ų82.864%0.64242%0.422SS*.Hα-helixtrans-72.4-40.1178.4174.70000111R245 Q246R245-V249 WeakPolarHBondContact O-CG2 3.39Å; R245-V249 PolarHBondContact O-N 3.41Å; Q246-V249 PolarHBondContact O-N 2.84Å
250D84.1Confident85.2Confident87 Ų8785.2 Ų85.247%0.46542%0.423SS..Hα-helixtrans-71.3-32.2-177.4-61.9-15.7000112.3Q246Q246-D250 PolarHBondContact NE2-OD1 3.31Å; Q246-D250 PolarHBondContact O-N 3.01Å
251F84.9Confident85.4Confident68 Ų6888.2 Ų88.230%0.29844%0.442SS..  trans-128.764-175.2-59.4-81.1000113L247 K253 E254 S255 W267L247-F251 HydrophobicContact CD1-CD2 3.65Å; L247-F251 HydrophobicContact CD1-CE2 3.84Å; L247-F251 HydrophobicContact CG-CD2 4.43Å; L247-F251 PolarHBondContact O-N 3.45Å; L247-F251 VanDerWaalsContact O-N 3.16Å; F251-K253 PolarHBondContact O-N 2.81Å; F251-E254 PolarHBondContact O-N 2.7Å; F251-S255 WeakPolarHBondContact O-CB 3.41Å; F251-S255 PolarHBondContact O-N 2.81Å; F251-S255 PolarHBondContact O-OG 2.93Å; F251-W267 HydrophobicContact CB-CH2 3.75Å; F251-W267 HydrophobicContact CB-CZ3 3.64Å; F251-W267 AromaticContact CD1-CH2 3.84Å; F251-W267 HydrophobicContact CD1-CH2 3.84Å; F251-W267 HydrophobicContact CD1-CZ3 4.48Å; F251-W267 AromaticContact CD2-CH2 3.92Å; F251-W267 HydrophobicContact CD2-CH2 3.92Å; F251-W267 AromaticContact CD2-CZ3 3.86Å; F251-W267 HydrophobicContact CD2-CZ3 3.86Å; F251-W267 HydrophobicContact CE1-CH2 4.42Å; F251-W267 HydrophobicContact CE2-CH2 4.49Å; F251-W267 AromaticContact CG-CH2 3.55Å; F251-W267 HydrophobicContact CG-CH2 3.55Å; F251-W267 AromaticContact CG-CZ3 3.74Å; F251-W267 HydrophobicContact CG-CZ3 3.74Å
252P86.3Confident85.6Confident98 Ų9885.8 Ų85.864%0.63642%0.42SS*.THydrogen-bonded Turntrans-68.3-18.7-174.828-35.5000113.6
253K86.4Confident85.9Confident193 Ų19390.2 Ų90.284%0.83945%0.448SS*.THydrogen-bonded Turntrans-79.5-44.6-179.9-65.8-177.8-179.8179.40111.9F251F251-K253 PolarHBondContact O-N 2.81Å
254E81.2Confident86.1Confident75 Ų7581.8 Ų81.835%0.3542%0.417SS..THydrogen-bonded Turntrans-91-23.8-176.6-59.685.217200112.5F251 W267 R268F251-E254 PolarHBondContact O-N 2.7Å; E254-W267 HydrophobicContact CB-CD2 4.21Å; E254-W267 HydrophobicContact CB-CH2 4.08Å; E254-W267 HydrophobicContact CB-CZ2 3.74Å; E254-W267 HydrophobicContact CB-CZ3 4.45Å; E254-W267 HydrophobicContact CG-CZ2 4.17Å; E254-W267 CarbonylContact O-C 3.57Å; E254-W267 WeakPolarHBondContact O-CA 3.14Å; E254-R268 PolarHBondContact O-N 3.42Å
255S85Confident86.2Confident11 Ų1181.4 Ų81.48%0.07742%0.415CS..EExtended strand (participates in β ladder)trans-109.3145.7-175.179.80000113.5A248 F251 L266A248-S255 WeakPolarHBondContact CA-OG 3.35Å; F251-S255 WeakPolarHBondContact O-CB 3.41Å; F251-S255 PolarHBondContact O-N 2.81Å; F251-S255 PolarHBondContact O-OG 2.93Å; S255-L266 CarbonylContact C-O 3.59Å; S255-L266 WeakPolarHBondContact CA-O 3.34Å
256S88.6Confident86.4Confident42 Ų4274.4 Ų74.429%0.29439%0.391SS..EExtended strand (participates in β ladder)trans-137.3118.1174.11730000107.9L266S256-L266 PolarHBondContact N-O 2.8Å; S256-L266 PolarHBondContact O-N 3.07Å
257Y89.3Confident86.6Confident58 Ų5870.1 Ų70.123%0.22737%0.371CS..  trans-125.899.4-177.1-179.1-119.1000110.3I244 R245 A248 P259 L265I244-Y257 HydrophobicContact CG2-CD1 4.15Å; I244-Y257 HydrophobicContact CG2-CD2 3.43Å; I244-Y257 VanDerWaalsContact CG2-CD2 3.43Å; I244-Y257 HydrophobicContact CG2-CE1 4.22Å; I244-Y257 HydrophobicContact CG2-CE2 3.51Å; I244-Y257 HydrophobicContact CG2-CG 3.76Å; R245-Y257 HydrophobicContact CG-CE1 3.87Å; A248-Y257 HydrophobicContact CB-CD1 4.47Å; A248-Y257 HydrophobicContact CB-CG 4.46Å; Y257-P259 HydrophobicContact CE1-CB 4.36Å; Y257-P259 HydrophobicContact CE1-CG 4.19Å; Y257-P259 HydrophobicContact CE2-CB 4.39Å; Y257-P259 WeakPolarHBondContact O-CD 3.32Å; Y257-L265 HydrophobicContact CD2-CB 3.95Å; Y257-L265 HydrophobicContact CG-CB 4.44Å
258E90.4Very high86.8Confident105 Ų10576 Ų7649%0.49139%0.392SS..  trans-116.687.9177.6-65.5-61.3156.300108E260 L261 S262E258-E260 PolarHBondContact O-N 3.23Å; E258-L261 HydrophobicContact CB-CB 4.01Å; E258-L261 HydrophobicContact CB-CD1 3.99Å; E258-L261 HydrophobicContact CB-CG 4.12Å; E258-L261 HydrophobicContact CG-CD1 4.28Å; E258-L261 PolarHBondContact O-N 3.17Å; E258-S262 PolarHBondContact O-N 3.23Å
259P89.2Confident86.5Confident67 Ų6775.7 Ų75.744%0.43539%0.389SS..THydrogen-bonded Turntrans-59.7-28.8-174.822.5-32.5000113.1Y257 L261Y257-P259 HydrophobicContact CE1-CB 4.36Å; Y257-P259 HydrophobicContact CE1-CG 4.19Å; Y257-P259 HydrophobicContact CE2-CB 4.39Å; Y257-P259 WeakPolarHBondContact O-CD 3.32Å; P259-L261 VanDerWaalsContact C-N 3.29Å; P259-L261 PolarHBondContact O-N 3.3Å
260E89.9Confident86.1Confident176 Ų17679 Ų7982%0.82240%0.397SS*.THydrogen-bonded Turntrans-68.3-26.6175.8-57.6-56.7155.900113E258E258-E260 PolarHBondContact O-N 3.23Å
261L88.7Confident85.5Confident151 Ų15183.2 Ų83.279%0.79141%0.414SS*.THydrogen-bonded Turntrans-100.1-32.9179.3-61.5179.5000112.6E258 P259E258-L261 HydrophobicContact CB-CB 4.01Å; E258-L261 HydrophobicContact CB-CD1 3.99Å; E258-L261 HydrophobicContact CB-CG 4.12Å; E258-L261 HydrophobicContact CG-CD1 4.28Å; E258-L261 PolarHBondContact O-N 3.17Å; P259-L261 VanDerWaalsContact C-N 3.29Å; P259-L261 PolarHBondContact O-N 3.3Å
262S86.7Confident85Confident28 Ų2881.5 Ų81.520%0.19641%0.41CS..  trans-152.6129.2-173.31640000111.9E258 G264 R277E258-S262 PolarHBondContact O-N 3.23Å; S262-G264 PolarHBondContact O-N 2.92Å; S262-G264 PolarHBondContact OG-N 3.19Å; S262-G264 PolarHBondContact OG-O 2.85Å; S262-R277 PolarHBondContact OG-NE 2.93Å; S262-R277 PolarHBondContact OG-NH2 2.98Å
263V88.4Confident84.5Confident110 Ų11085.2 Ų85.267%0.66742%0.416SS*.SBendtrans-61.4-10.4174-620000115.5
264G87.8Confident84.3Confident1 Ų176.4 Ų76.41%0.0138%0.38CS..SBendtrans-130.4151.7-177.600000112S262 I278S262-G264 PolarHBondContact O-N 2.92Å; S262-G264 PolarHBondContact OG-N 3.19Å; S262-G264 PolarHBondContact OG-O 2.85Å; G264-I278 CarbonylContact C-O 3.56Å; G264-I278 WeakPolarHBondContact CA-O 3.34Å
265L87.7Confident84.4Confident0 Ų075.1 Ų75.10%038%0.377CS..EExtended strand (participates in β ladder)trans-74.2134.4175.7172157000110.3I244 L247 A248 Y257 W267 R277 I278I244-L265 HydrophobicContact CG2-CB 3.45Å; I244-L265 VanDerWaalsContact CG2-CB 3.45Å; I244-L265 HydrophobicContact CG2-CD1 3.75Å; I244-L265 HydrophobicContact CG2-CG 4.27Å; L247-L265 HydrophobicContact CB-CD1 4.27Å; L247-L265 HydrophobicContact CD2-CD1 4.04Å; L247-L265 HydrophobicContact CD2-CD2 4.15Å; L247-L265 HydrophobicContact CG-CD1 4.23Å; A248-L265 HydrophobicContact CB-CD1 3.95Å; Y257-L265 HydrophobicContact CD2-CB 3.95Å; Y257-L265 HydrophobicContact CG-CB 4.44Å; L265-W267 HydrophobicContact CD2-CB 3.99Å; L265-W267 HydrophobicContact CD2-CE3 4.3Å; L265-R277 CarbonylContact O-C 3.53Å; L265-R277 WeakPolarHBondContact O-CA 3.47Å; L265-I278 HydrophobicContact CD2-CB 4.46Å; L265-I278 HydrophobicContact CD2-CD1 4.01Å; L265-I278 PolarHBondContact N-O 2.73Å; L265-I278 PolarHBondContact O-N 2.92Å
266L89.3Confident84.5Confident49 Ų4974.8 Ų74.826%0.25737%0.374SS..EExtended strand (participates in β ladder)trans-94.2112.5175.9-166.372.7000108.9S255 S256 T275S255-L266 CarbonylContact C-O 3.59Å; S255-L266 WeakPolarHBondContact CA-O 3.34Å; S256-L266 PolarHBondContact N-O 2.8Å; S256-L266 PolarHBondContact O-N 3.07Å; L266-T275 HydrophobicContact CD1-CG2 3.23Å; L266-T275 HydrophobicContact CD2-CG2 4.36Å; L266-T275 HydrophobicContact CG-CG2 3.77Å
267W86.6Confident84.6Confident15 Ų1577.3 Ų77.36%0.05738%0.377CS..EExtended strand (participates in β ladder)trans-102.5122.5174.8-177.1-72.9000109.7L19 L247 F251 E254 L265 T275 L276 I278L19-W267 HydrophobicContact CD2-CE3 4.09Å; L19-W267 HydrophobicContact CD2-CH2 4.27Å; L19-W267 HydrophobicContact CD2-CZ3 3.89Å; L247-W267 HydrophobicContact CD1-CZ3 4.14Å; L247-W267 HydrophobicContact CD2-CE3 4.44Å; L247-W267 HydrophobicContact CG-CZ3 4.27Å; F251-W267 HydrophobicContact CB-CH2 3.75Å; F251-W267 HydrophobicContact CB-CZ3 3.64Å; F251-W267 AromaticContact CD1-CH2 3.84Å; F251-W267 HydrophobicContact CD1-CH2 3.84Å; F251-W267 HydrophobicContact CD1-CZ3 4.48Å; F251-W267 AromaticContact CD2-CH2 3.92Å; F251-W267 HydrophobicContact CD2-CH2 3.92Å; F251-W267 AromaticContact CD2-CZ3 3.86Å; F251-W267 HydrophobicContact CD2-CZ3 3.86Å; F251-W267 HydrophobicContact CE1-CH2 4.42Å; F251-W267 HydrophobicContact CE2-CH2 4.49Å; F251-W267 AromaticContact CG-CH2 3.55Å; F251-W267 HydrophobicContact CG-CH2 3.55Å; F251-W267 AromaticContact CG-CZ3 3.74Å; F251-W267 HydrophobicContact CG-CZ3 3.74Å; E254-W267 HydrophobicContact CB-CD2 4.21Å; E254-W267 HydrophobicContact CB-CH2 4.08Å; E254-W267 HydrophobicContact CB-CZ2 3.74Å; E254-W267 HydrophobicContact CB-CZ3 4.45Å; E254-W267 HydrophobicContact CG-CZ2 4.17Å; E254-W267 CarbonylContact O-C 3.57Å; E254-W267 WeakPolarHBondContact O-CA 3.14Å; L265-W267 HydrophobicContact CD2-CB 3.99Å; L265-W267 HydrophobicContact CD2-CE3 4.3Å; W267-T275 CarbonylContact O-C 3.51Å; W267-T275 WeakPolarHBondContact O-CA 3.43Å; W267-L276 HydrophobicContact CB-CB 4.14Å; W267-L276 PolarHBondContact N-O 3.37Å; W267-L276 PolarHBondContact O-N 3.3Å; W267-I278 HydrophobicContact CB-CD1 4.05Å
268R84.2Confident84.5Confident135 Ų13574.6 Ų74.651%0.50937%0.366SS..EExtended strand (participates in β ladder)trans-103.8115.7177.1-64.7-174.8-179.397.2-4.9109E254E254-R268 PolarHBondContact O-N 3.42Å
269S77.4Confident84.5Confident15 Ų1571.4 Ų71.411%0.10535%0.352CS..EExtended strand (participates in β ladder)trans-96130.8170.71690000109P272 K273 A274S269-P272 CarbonylContact C-O 3.53Å; S269-P272 VanDerWaalsContact O-O 3.08Å; S269-P272 PolarHBondContact OG-O 2.85Å; S269-K273 WeakPolarHBondContact O-CA 3.3Å; S269-A274 PolarHBondContact N-O 3.31Å; S269-A274 PolarHBondContact O-N 3.34Å; S269-A274 VanDerWaalsContact O-N 3.16Å
270E76Confident84.3Confident174 Ų17470.8 Ų70.881%0.81335%0.352SS*.THydrogen-bonded Turntrans-79.4-38.6176.5-63-170.6162.700112.2P272 K273E270-P272 CarbonylContact O-C 3.59Å; E270-K273 PolarHBondContact O-N 3.42Å; E270-K273 VanDerWaalsContact O-N 3.14Å
271Q72.2Confident84.3Confident177 Ų17767 Ų6783%0.82734%0.341SS*.THydrogen-bonded Turntrans-133.9103.1-176.6-64.8-173.26.700111.7
272P73.2Confident83.9Confident32 Ų3259.8 Ų59.821%0.20830%0.303CS..THydrogen-bonded Turncis-69.7154.6-5.531.2-35.2000111.8S269 E270 A274 F291S269-P272 CarbonylContact C-O 3.53Å; S269-P272 VanDerWaalsContact O-O 3.08Å; S269-P272 PolarHBondContact OG-O 2.85Å; E270-P272 CarbonylContact O-C 3.59Å; P272-A274 PolarHBondContact O-N 3.35Å; P272-F291 HydrophobicContact CB-CZ 4.42Å
273K76.3Confident84Confident175 Ų17560.4 Ų60.476%0.76131%0.307SS*.THydrogen-bonded Turntrans-64.996.5174.2-171.8171.1-176.41680109.9S269 E270 G289S269-K273 WeakPolarHBondContact O-CA 3.3Å; E270-K273 PolarHBondContact O-N 3.42Å; E270-K273 VanDerWaalsContact O-N 3.14Å; K273-G289 PolarHBondContact O-N 3.04Å
274A81.5Confident84Confident9 Ų955.2 Ų55.27%0.07428%0.276CS..EExtended strand (participates in β ladder)trans-146148.1-176.900000110.2S269 P272 L276S269-A274 PolarHBondContact N-O 3.31Å; S269-A274 PolarHBondContact O-N 3.34Å; S269-A274 VanDerWaalsContact O-N 3.16Å; P272-A274 PolarHBondContact O-N 3.35Å; A274-L276 HydrophobicContact CB-CD1 4.35Å
275T83.7Confident84.1Confident47 Ų4757 Ų5729%0.28829%0.286SS..EExtended strand (participates in β ladder)trans-116.9116.8178.8-56.20000108.3L266 W267 T287L266-T275 HydrophobicContact CD1-CG2 3.23Å; L266-T275 HydrophobicContact CD2-CG2 4.36Å; L266-T275 HydrophobicContact CG-CG2 3.77Å; W267-T275 CarbonylContact O-C 3.51Å; W267-T275 WeakPolarHBondContact O-CA 3.43Å; T275-T287 PolarHBondContact N-O 2.92Å; T275-T287 PolarHBondContact O-N 3.06Å; T275-T287 PolarHBondContact O-OG1 3.26Å; T275-T287 VanDerWaalsContact O-OG1 3.09Å
276L87.4Confident84Confident4 Ų457.1 Ų57.12%0.02129%0.287CS..EExtended strand (participates in β ladder)trans-101.5129.9177.4-66.676000108.3W267 A274 I284 T285 I286W267-L276 HydrophobicContact CB-CB 4.14Å; W267-L276 PolarHBondContact N-O 3.37Å; W267-L276 PolarHBondContact O-N 3.3Å; A274-L276 HydrophobicContact CB-CD1 4.35Å; L276-I284 HydrophobicContact CB-CG2 4.28Å; L276-I284 HydrophobicContact CD2-CG2 4.22Å; L276-T285 CarbonylContact C-O 3.42Å; L276-T285 WeakPolarHBondContact CA-O 3.37Å; L276-I286 HydrophobicContact CD2-CG1 4.35Å; L276-I286 HydrophobicContact CG-CG1 4.1Å; L276-I286 HydrophobicContact CG-CG2 4.29Å
277R89.9Confident83.8Confident96 Ų9656.8 Ų56.836%0.36229%0.287SS..EExtended strand (participates in β ladder)trans-103.7113.1170.5-170.5178.8-168.5174.72108.3S262 L265 I284 T285S262-R277 PolarHBondContact OG-NE 2.93Å; S262-R277 PolarHBondContact OG-NH2 2.98Å; L265-R277 CarbonylContact O-C 3.53Å; L265-R277 WeakPolarHBondContact O-CA 3.47Å; R277-I284 CarbonylContact O-C 3.55Å; R277-I284 WeakPolarHBondContact O-CA 3.45Å; R277-T285 PolarHBondContact N-O 3.31Å; R277-T285 PolarHBondContact O-N 2.76Å
278I88.1Confident83.2Confident0 Ų056.9 Ų56.90%029%0.293CS..EExtended strand (participates in β ladder)trans-104.2128.2-174.4-60.9166.5000108.7L19 I242 I244 L247 G264 L265 W267 I284L19-I278 HydrophobicContact CD1-CD1 3.61Å; L19-I278 HydrophobicContact CD2-CD1 4.33Å; I242-I278 HydrophobicContact CB-CG2 4.49Å; I242-I278 HydrophobicContact CD1-CG2 3.47Å; I242-I278 VanDerWaalsContact CD1-CG2 3.47Å; I242-I278 HydrophobicContact CG2-CG2 4.32Å; I244-I278 VanDerWaalsContact CD1-O 3.3Å; I244-I278 WeakPolarHBondContact CD1-O 3.49Å; L247-I278 HydrophobicContact CD2-CD1 4.08Å; G264-I278 CarbonylContact C-O 3.56Å; G264-I278 WeakPolarHBondContact CA-O 3.34Å; L265-I278 HydrophobicContact CD2-CB 4.46Å; L265-I278 HydrophobicContact CD2-CD1 4.01Å; L265-I278 PolarHBondContact N-O 2.73Å; L265-I278 PolarHBondContact O-N 2.92Å; W267-I278 HydrophobicContact CB-CD1 4.05Å; I278-I284 HydrophobicContact CG1-CD1 4.47Å; I278-I284 HydrophobicContact CG1-CG1 4.27Å; I278-I284 HydrophobicContact CG1-CG2 4.3Å; I278-I284 HydrophobicContact CG2-CG1 4.49Å
279H89.5Confident82.1Confident39 Ų3950.9 Ų50.918%0.18127%0.273CS..  trans-106.9149.4176.1-63.3-89.4000111I244 T281 G282 S283I244-H279 VanDerWaalsContact CD1-C 3.45Å; H279-T281 PolarHBondContact O-N 2.77Å; H279-T281 VanDerWaalsContact O-N 3.07Å; H279-G282 PolarHBondContact O-N 3.26Å; H279-S283 WeakPolarHBondContact CB-O 3.29Å; H279-S283 PolarHBondContact CD2-O 3.38Å; H279-S283 PolarHBondContact N-O 3.09Å
280A86.3Confident81Confident53 Ų5356.9 Ų56.944%0.43830%0.297SS..THydrogen-bonded Turntrans-60.9-25.5-175.600000111.9A241 I242 I244 G282A241-A280 CarbonylContact C-O 3.38Å; A241-A280 VanDerWaalsContact CA-O 3.3Å; A241-A280 WeakPolarHBondContact CA-O 3.4Å; A241-A280 WeakPolarHBondContact CB-O 3.1Å; I242-A280 PolarHBondContact N-O 3.23Å; I244-A280 HydrophobicContact CD1-CB 3.94Å; I244-A280 HydrophobicContact CG1-CB 4.32Å; A280-G282 PolarHBondContact O-N 3.27Å
281T88.5Confident79.9Confident96 Ų9652.9 Ų52.959%0.58928%0.277SS*.THydrogen-bonded Turntrans-69-3.9174.960.40000114.6H279 S283H279-T281 PolarHBondContact O-N 2.77Å; H279-T281 VanDerWaalsContact O-N 3.07Å; T281-S283 VanDerWaalsContact C-N 3.33Å; T281-S283 PolarHBondContact OG1-OG 3.46Å
282G82.3Confident78.5Confident0 Ų053.8 Ų53.80%028%0.281CS..SBendtrans84.24.8-174.400000114L238 F240 H279 A280L238-G282 WeakPolarHBondContact CB-O 3.44Å; L238-G282 PolarHBondContact N-O 3.38Å; F240-G282 WeakPolarHBondContact O-CA 3.37Å; H279-G282 PolarHBondContact O-N 3.26Å; A280-G282 PolarHBondContact O-N 3.27Å
283S87.9Confident76.6Confident41 Ų4161.3 Ų61.329%0.28733%0.327SS..EExtended strand (participates in β ladder)trans-81.3132.4173.6-56.80000110.4H279 T281H279-S283 WeakPolarHBondContact CB-O 3.29Å; H279-S283 PolarHBondContact CD2-O 3.38Å; H279-S283 PolarHBondContact N-O 3.09Å; T281-S283 VanDerWaalsContact C-N 3.33Å; T281-S283 PolarHBondContact OG1-OG 3.46Å
284I88.6Confident76.6Confident2 Ų255.7 Ų55.71%0.0131%0.305CS..EExtended strand (participates in β ladder)trans-126.4126.5-178.2-56.5178.2000109.1I16 T235 C236 L238 L276 R277 I278 I286I16-I284 HydrophobicContact CG1-CD1 4.41Å; T235-I284 CarbonylContact C-O 3.3Å; T235-I284 WeakPolarHBondContact CA-O 3.3Å; C236-I284 HydrophobicContact CB-CB 4.37Å; C236-I284 PolarHBondContact N-O 3.06Å; C236-I284 PolarHBondContact O-N 3.21Å; L238-I284 HydrophobicContact CD1-CD1 3.79Å; L238-I284 HydrophobicContact CG-CD1 4.08Å; L276-I284 HydrophobicContact CB-CG2 4.28Å; L276-I284 HydrophobicContact CD2-CG2 4.22Å; R277-I284 CarbonylContact O-C 3.55Å; R277-I284 WeakPolarHBondContact O-CA 3.45Å; I278-I284 HydrophobicContact CG1-CD1 4.47Å; I278-I284 HydrophobicContact CG1-CG1 4.27Å; I278-I284 HydrophobicContact CG1-CG2 4.3Å; I278-I284 HydrophobicContact CG2-CG1 4.49Å; I284-I286 HydrophobicContact CG2-CG1 4.05Å
285T89.3Confident76.3Confident37 Ų3758.1 Ų58.123%0.22732%0.317CS..EExtended strand (participates in β ladder)trans-106.5122.7170.4-55.60000109.3M233 T235 L276 R277 T287M233-T285 HydrophobicContact CG-CG2 4.03Å; M233-T285 HydrophobicContact SD-CG2 4.37Å; T235-T285 HydrophobicContact CG2-CG2 4.41Å; L276-T285 CarbonylContact C-O 3.42Å; L276-T285 WeakPolarHBondContact CA-O 3.37Å; R277-T285 PolarHBondContact N-O 3.31Å; R277-T285 PolarHBondContact O-N 2.76Å; T285-T287 HydrophobicContact CG2-CG2 4.25Å
286I85.4Confident75.9Confident3 Ų358.7 Ų58.72%0.01532%0.319CS..EExtended strand (participates in β ladder)trans-104.8125-179.7-49.5179.9000107.2I12 L120 M233 A234 L276 I284I12-I286 HydrophobicContact CD1-CD1 4Å; I12-I286 HydrophobicContact CG1-CD1 4.49Å; I12-I286 HydrophobicContact CG2-CD1 3.57Å; L120-I286 HydrophobicContact CD1-CD1 4.2Å; M233-I286 WeakPolarHBondContact CA-O 3.41Å; A234-I286 HydrophobicContact CB-CB 4.43Å; A234-I286 PolarHBondContact N-O 2.79Å; A234-I286 PolarHBondContact O-N 2.73Å; L276-I286 HydrophobicContact CD2-CG1 4.35Å; L276-I286 HydrophobicContact CG-CG1 4.1Å; L276-I286 HydrophobicContact CG-CG2 4.29Å; I284-I286 HydrophobicContact CG2-CG1 4.05Å
287T84.9Confident75.2Confident42 Ų4261.9 Ų61.926%0.25834%0.337SS..EExtended strand (participates in β ladder)trans-126.4142.7175.656.80000109.7M233 T275 T285M233-T287 HydrophobicContact CE-CG2 3.92Å; M233-T287 HydrophobicContact CG-CG2 4.13Å; T275-T287 PolarHBondContact N-O 2.92Å; T275-T287 PolarHBondContact O-N 3.06Å; T275-T287 PolarHBondContact O-OG1 3.26Å; T275-T287 VanDerWaalsContact O-OG1 3.09Å; T285-T287 HydrophobicContact CG2-CG2 4.25Å
288G74.8Confident74.3Confident17 Ų1759.8 Ų59.818%0.17534%0.335CS..EExtended strand (participates in β ladder)trans98.4-166.4-172.500000112.5Y7 N231 I232Y7-G288 PolarHBondContact OH-O 2.86Å; N231-G288 WeakPolarHBondContact OD1-CA 3.28Å; N231-G288 PolarHBondContact OD1-N 2.83Å; I232-G288 PolarHBondContact O-N 3.45Å
289G60.4Low73.4Confident9 Ų963.8 Ų63.89%0.09336%0.357CS..  trans102.532.4-164.300000113.4K273 F291K273-G289 PolarHBondContact O-N 3.04Å; G289-F291 WeakPolarHBondContact O-CD2 3.4Å; G289-F291 PolarHBondContact O-N 3.47Å
290K55.5Low72.3Confident142 Ų14265.6 Ų65.662%0.61737%0.37SS*.  trans-65.5107.1159.1-75.9-171.1-179.71800107.1T230T230-K290 WeakPolarHBondContact O-CE 3.44Å; T230-K290 WeakPolarHBondContact O-CG 3.48Å
291F52Low71.2Confident90 Ų9066.5 Ų66.540%0.39537%0.365SS..  trans-77.9125.9159.9-70.6-92.9000106.4Y6 P272 G289 T293Y6-F291 WeakPolarHBondContact O-CE2 2.77Å; P272-F291 HydrophobicContact CB-CZ 4.42Å; G289-F291 WeakPolarHBondContact O-CD2 3.4Å; G289-F291 PolarHBondContact O-N 3.47Å; F291-T293 VanDerWaalsContact C-N 3.27Å; F291-T293 PolarHBondContact O-N 3.29Å
292H43.7Very low69.7Low195 Ų19564.1 Ų64.190%0.90335%0.346SS*.  trans-62.8102.9152.5-102.8-83.6000105
293T32Very low68.6Low191 Ų19169.9 Ų69.9100%1.17238%0.377SS*.  trans-74.10145.8-47.80000106.3F291F291-T293 VanDerWaalsContact C-N 3.27Å; F291-T293 PolarHBondContact O-N 3.29Å

Retrieved 293 of 293 residues in 769.9 ms (Link to these results)