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Insulin-like growth factor-binding protein 6

IGF-binding proteins prolong the half-life of the IGFs and have been shown to either inhibit or stimulate the growth promoting effects of the IGFs on cell culture. They alter the interaction of IGFs with their cell surface receptors. Activates the MAPK signaling pathway and induces cell migration.

AlphaFold DB , UniProt , Accession G7N736, Species MACMU (Macaca mulatta, Rhesus macaque), Gene IGFBP6, Length 239 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
1M45.6Very low56.8Low238 Ų238134.5 Ų134.5100%1.17269%0.685SS**  0140.80-65.8112.3150.200109.2
2T45.9Very low57.6Low118 Ų118132.6 Ų132.672%0.72468%0.677SS**  trans-132.7103.3-179.835.60000110.3Y4T2-Y4 VanDerWaalsContact C-N 3.26Å; T2-Y4 PolarHBondContact O-N 3.34Å
3P55.1Low58Low107 Ų107130.5 Ų130.570%0.69567%0.667SS**G310 helixtrans-73.9-9.6-167.828.6-35.6000115.1R5P3-R5 VanDerWaalsContact C-N 3.3Å; P3-R5 PolarHBondContact O-N 3.33Å; P3-R5 VanDerWaalsContact O-N 3.16Å
4Y55.5Low58.5Low186 Ų186125.6 Ų125.673%0.72966%0.656SS**G310 helixtrans-77.53.7-166.4-67.7-77.4000116.7T2T2-Y4 VanDerWaalsContact C-N 3.26Å; T2-Y4 PolarHBondContact O-N 3.34Å
5R58.8Low58.7Low218 Ų218124.9 Ų124.982%0.82365%0.652SS**G310 helixtrans-92.3-14.4-173.4-68.7-68.7178.5171.2-2.8115.8P3P3-R5 VanDerWaalsContact C-N 3.3Å; P3-R5 PolarHBondContact O-N 3.33Å; P3-R5 VanDerWaalsContact O-N 3.16Å
6L55.3Low58.9Low132 Ų132124.9 Ų124.969%0.69165%0.653SS**SBendtrans-99.8-9.8-179.7-66.8173.5000114.4P9L6-P9 WeakPolarHBondContact O-CD 3.03Å; L6-P9 WeakPolarHBondContact O-CG 3.28Å
7L54.9Low58.9Low113 Ų113126.1 Ų126.159%0.59266%0.659SS**Hα-helixtrans-68.5-43-178.9-147.8132.9000114.4L11L7-L11 HydrophobicContact CD2-CD1 4.42Å; L7-L11 PolarHBondContact O-N 2.75Å
8P62.3Low58.6Low76 Ų76123.5 Ų123.549%0.49466%0.659SS.*Hα-helixtrans-62.2-44.9179.416.1-24.7000116.6L10 L11 L12P8-L10 PolarHBondContact O-N 2.87Å; P8-L11 PolarHBondContact O-N 2.83Å; P8-L12 PolarHBondContact O-N 2.99Å; P8-L12 VanDerWaalsContact O-N 3.16Å
9P63.5Low58Low71 Ų71121.1 Ų121.146%0.46166%0.658SS.*Hα-helixtrans-67.3-33.9-17824.9-35000113.5L6 L11 L12 L13L6-P9 WeakPolarHBondContact O-CD 3.03Å; L6-P9 WeakPolarHBondContact O-CG 3.28Å; P9-L11 VanDerWaalsContact C-N 3.33Å; P9-L11 PolarHBondContact O-N 2.78Å; P9-L12 PolarHBondContact O-N 2.83Å; P9-L13 PolarHBondContact O-N 2.03Å
10L63.7Low57.8Low120 Ų120120.4 Ų120.463%0.62866%0.662SS**Hα-helixtrans-65.6-37.5176-72.3170.1000112P8 L13 A14P8-L10 PolarHBondContact O-N 2.87Å; L10-L13 PolarHBondContact O-N 3.14Å; L10-A14 PolarHBondContact O-N 3.13Å
11L64.7Low57.3Low101 Ų101120.7 Ų120.753%0.52967%0.67SS.*Hα-helixtrans-68.7-38.6178.6-143.5162.1000111.3L7 P8 P9 A14 L15L7-L11 HydrophobicContact CD2-CD1 4.42Å; L7-L11 PolarHBondContact O-N 2.75Å; P8-L11 PolarHBondContact O-N 2.83Å; P9-L11 VanDerWaalsContact C-N 3.33Å; P9-L11 PolarHBondContact O-N 2.78Å; L11-A14 PolarHBondContact O-N 3.09Å; L11-L15 HydrophobicContact CD2-CD1 4.05Å; L11-L15 WeakPolarHBondContact O-CG 3.01Å; L11-L15 PolarHBondContact O-N 2.86Å; L11-L15 VanDerWaalsContact O-N 3.14Å
12L65.4Low57.7Low111 Ų111112.8 Ų112.858%0.58165%0.65SS**Hα-helixtrans-62.1-42170.4-94.1155.4000112.9P8 P9 L15 L16P8-L12 PolarHBondContact O-N 2.99Å; P8-L12 VanDerWaalsContact O-N 3.16Å; P9-L12 PolarHBondContact O-N 2.83Å; L12-L15 PolarHBondContact O-N 2.81Å; L12-L16 PolarHBondContact O-N 3.48Å
13L63.6Low58.1Low106 Ų106110.3 Ų110.356%0.55565%0.647SS**Hα-helixtrans-65.9-39.4178.9-15377.1000112P9 L10 L16 L17P9-L13 PolarHBondContact O-N 2.03Å; L10-L13 PolarHBondContact O-N 3.14Å; L13-L16 PolarHBondContact O-N 2.84Å; L13-L17 PolarHBondContact O-N 2.98Å
14A64.8Low58.4Low62 Ų62110 Ų11051%0.51265%0.654SS.*Hα-helixtrans-64.7-37.5175.200000112.8L10 L11 L17 A18L10-A14 PolarHBondContact O-N 3.13Å; L11-A14 PolarHBondContact O-N 3.09Å; A14-L17 PolarHBondContact O-N 3.43Å; A14-A18 PolarHBondContact O-N 3.4Å
15L61.6Low58.8Low114 Ų114108.1 Ų108.160%0.59766%0.656SS**Hα-helixtrans-64.3-38.6175-80.4162000112.6L11 L12 A18L11-L15 HydrophobicContact CD2-CD1 4.05Å; L11-L15 WeakPolarHBondContact O-CG 3.01Å; L11-L15 PolarHBondContact O-N 2.86Å; L11-L15 VanDerWaalsContact O-N 3.14Å; L12-L15 PolarHBondContact O-N 2.81Å; L15-A18 PolarHBondContact O-N 2.75Å
16L61.3Low58.9Low126 Ų126102.9 Ų102.966%0.6666%0.659SS**Hα-helixtrans-67.5-39.4176.9-72.5164.2000112.2L12 L13 A18 A19L12-L16 PolarHBondContact O-N 3.48Å; L13-L16 PolarHBondContact O-N 2.84Å; L16-A18 VanDerWaalsContact C-N 3.27Å; L16-A18 PolarHBondContact O-N 2.87Å; L16-A19 WeakPolarHBondContact O-CB 3.49Å; L16-A19 PolarHBondContact O-N 2.92Å
17L59.8Low59.8Low145 Ų145107 Ų10776%0.75967%0.665SS**Hα-helixtrans-69.1-21.8178.2-74.8163.5000113.7L13 A14 A19L13-L17 PolarHBondContact O-N 2.98Å; A14-L17 PolarHBondContact O-N 3.43Å; L17-A19 VanDerWaalsContact C-N 3.32Å
18A52.7Low60.6Low79 Ų79107.2 Ų107.265%0.65368%0.675SS**THydrogen-bonded Turntrans-78.9-12.9175.800000113.8A14 L15 L16 S20A14-A18 PolarHBondContact O-N 3.4Å; L15-A18 PolarHBondContact O-N 2.75Å; L16-A18 VanDerWaalsContact C-N 3.27Å; L16-A18 PolarHBondContact O-N 2.87Å; A18-S20 PolarHBondContact O-N 3.08Å
19A47.6Very low61.2Low78 Ų78109.8 Ų109.865%0.64569%0.692SS**  trans-80.652.9-174.200000113.5L16 L17 P21L16-A19 WeakPolarHBondContact O-CB 3.49Å; L16-A19 PolarHBondContact O-N 2.92Å; L17-A19 VanDerWaalsContact C-N 3.32Å; A19-P21 WeakPolarHBondContact O-CD 3.02Å
20S54.6Low61Low106 Ų106109.7 Ų109.774%0.74170%0.703SS**  trans-82.3114.6173.2-162.10000110A18 G22A18-S20 PolarHBondContact O-N 3.08Å; S20-G22 PolarHBondContact O-N 2.04Å
21P47.1Very low60.9Low127 Ų127110.8 Ų110.883%0.82572%0.719SS**  trans-79.168.3-172.733.1-36.2000111.9A19 G23A19-P21 WeakPolarHBondContact O-CD 3.02Å; P21-G23 PolarHBondContact O-N 3.49Å
22G52.9Low60.5Low73 Ų73108.6 Ų108.675%0.75372%0.721SS**  trans-70.562.9176.100000113.4S20 A24S20-G22 PolarHBondContact O-N 2.04Å; G22-A24 PolarHBondContact O-N 3.25Å
23G54.3Low59.8Low65 Ų65113.4 Ų113.467%0.6774%0.741SS**  trans-65.996.5-179.800000112.4P21 L25P21-G23 PolarHBondContact O-N 3.49Å; G23-L25 VanDerWaalsContact C-N 3.33Å; G23-L25 PolarHBondContact O-N 3.07Å
24A62.2Low59.1Low101 Ų101111.1 Ų111.184%0.83574%0.743SS**  trans-7184.317700000111.4G22 A26G22-A24 PolarHBondContact O-N 3.25Å; A24-A26 PolarHBondContact O-N 2.88Å
25L63.5Low58.4Low147 Ų147115 Ų11577%0.7776%0.76SS**  trans-57.3119.8176.3-69.9174000111.1G23 R27G23-L25 VanDerWaalsContact C-N 3.33Å; G23-L25 PolarHBondContact O-N 3.07Å; L25-R27 PolarHBondContact O-N 2.79Å
26A61.7Low57.8Low107 Ų107114.8 Ų114.888%0.88476%0.756SS**  trans-69.191.6174.300000110.2A24A24-A26 PolarHBondContact O-N 2.88Å
27R74.6Confident57.3Low220 Ų220113.8 Ų113.883%0.8377%0.766SS**PPolyproline II helixtrans-72.9137.2171.3-76.1-178.4159.5103.3-4.6110.4L25L25-R27 PolarHBondContact O-N 2.79Å
28C71.7Confident56.8Low116 Ų116110.4 Ų110.478%0.78477%0.765SS**PPolyproline II helixtrans-59.4143.5160.9-61.70000109.4G30C28-G30 PolarHBondContact O-N 2.89Å
29P73.9Confident56.1Low131 Ų131110.9 Ų110.985%0.85176%0.763SS**PPolyproline II helixtrans-62.1120.5165.727.9-32.4000108.2
30G60.5Low56.1Low68 Ų68114.1 Ų114.170%0.70178%0.777SS**PPolyproline II helixtrans-70.5160.1174.700000111.5C28 G32C28-G30 PolarHBondContact O-N 2.89Å; G30-G32 PolarHBondContact O-N 3.28Å; G30-G32 VanDerWaalsContact O-N 3.07Å
31C61Low56Low143 Ų143111.8 Ų111.897%0.96677%0.771SS**  trans-69.8101.5166.3-63.90000108.5
32G56.4Low55.9Low56 Ų56107.9 Ų107.958%0.57775%0.753SS**  trans-79.1174.9167.900000111.4G30 G34G30-G32 PolarHBondContact O-N 3.28Å; G30-G32 VanDerWaalsContact O-N 3.07Å; G32-G34 PolarHBondContact O-N 3.19Å
33Q50.8Low55.4Low212 Ų212109 Ų10999%0.99175%0.748SS**SBendtrans-69.576164.9-77.290.115.200111
34G48.4Very low54.8Low58 Ų58111.4 Ų111.460%0.59875%0.75SS**SBendtrans-139.7142.1166.800000108.5G32G32-G34 PolarHBondContact O-N 3.19Å
35V49.4Very low54.8Low143 Ų143116.1 Ų116.187%0.86775%0.754SS**  trans-48.7140-173.6177.10000111.9A37V35-A37 PolarHBondContact O-N 3.08Å
36Q50.5Low54Low110 Ų110117.6 Ų117.651%0.51476%0.758SS.*  trans-67.645.5-173-57.1-174.91600115.2G38 C43Q36-G38 PolarHBondContact O-N 2.87Å; Q36-C43 PolarHBondContact NE2-SG 2.9Å; Q36-C43 VanDerWaalsContact NE2-SG 3.43Å
37A49.9Very low53.5Low105 Ų105121.8 Ų121.887%0.86876%0.759SS**THydrogen-bonded Turntrans-73.961.7178.400000112.1V35V35-A37 PolarHBondContact O-N 3.08Å
38G48.4Very low52.4Low73 Ų73119.5 Ų119.575%0.75376%0.763SS**THydrogen-bonded Turntrans-167.8-23-177.100000116.2Q36Q36-G38 PolarHBondContact O-N 2.87Å
39C39Very low51.4Low89 Ų89117.3 Ų117.360%0.60176%0.76SS**  trans-105.5126.2176.6-67.20000110.4G41C39-G41 PolarHBondContact O-N 3.42Å
40P48.4Very low49.9Very low146 Ų146114.2 Ų114.295%0.94875%0.752SS**SBendtrans-79.561.9176.734.6-35.6000110.5
41G52.4Low49.4Very low58 Ų58117.1 Ų117.160%0.59876%0.762SS**SBendtrans165.870.9-168.800000108.8C39C39-G41 PolarHBondContact O-N 3.42Å
42G44.2Very low48.5Very low44 Ų44115.8 Ų115.845%0.45475%0.751SS.*  trans-73.2155.217100000110.6V44G42-V44 PolarHBondContact O-N 3.34Å
43C41.6Very low48Very low97 Ų97117.9 Ų117.966%0.65576%0.763SS**  trans-64.5101.1176.6-490000110Q36Q36-C43 PolarHBondContact NE2-SG 2.9Å; Q36-C43 VanDerWaalsContact NE2-SG 3.43Å
44V42.8Very low47.6Very low116 Ų116117.2 Ų117.270%0.70376%0.76SS**  trans-108108169.5-179.70000107.6G42 E46G42-V44 PolarHBondContact O-N 3.34Å; V44-E46 HydrophobicContact CG1-CB 4.26Å; V44-E46 HydrophobicContact CG1-CG 4.26Å
45E62.4Low47.4Very low199 Ų199117.1 Ų117.193%0.9376%0.759SS**  trans-86.697.8160.2-68.5-172.6106.400108
46E46.9Very low47.7Very low179 Ų179114.2 Ų114.284%0.83674%0.744SS**  trans-140.6155.1159.9-74.1-157.511800109.8V44V44-E46 HydrophobicContact CG1-CB 4.26Å; V44-E46 HydrophobicContact CG1-CG 4.26Å
47E51Low47.7Very low194 Ų194112.8 Ų112.891%0.90775%0.751SS**  trans-87.4159.7-169-66-171.882.600114.8
48D51.8Low48.2Very low172 Ų172116.9 Ų116.992%0.9275%0.752SS**  trans66.1165.1163-163.134.5000118.4
49G49.7Very low48.3Very low70 Ų70117.4 Ų117.472%0.72275%0.749SS**SBendtrans109.13.6152.400000119.3
50G41.9Very low49Very low67 Ų67121 Ų12169%0.69176%0.757SS**  trans125.4144.1160.100000117.3P52G50-P52 VanDerWaalsContact O-CD 3.28Å; G50-P52 WeakPolarHBondContact O-CD 3.28Å
51S51.2Low49.5Very low128 Ų128117 Ų11790%0.89574%0.742SS**PPolyproline II helixtrans-70.8118.6-168.5-51.90000114.9
52P42.1Very low50.5Low116 Ų116116.2 Ų116.275%0.75373%0.728SS**PPolyproline II helixtrans-76.2165.5159.7-7.727.5000110.4G50G50-P52 VanDerWaalsContact O-CD 3.28Å; G50-P52 WeakPolarHBondContact O-CD 3.28Å
53A44.5Very low52.7Low99 Ų99117.8 Ų117.882%0.81873%0.725SS**SBendtrans-58141168.400000110.5G55A53-G55 PolarHBondContact O-N 3.19Å
54Q43.1Very low55.1Low198 Ų198117 Ų11793%0.92571%0.709SS**  trans-65.387.5-163.8-167.4167.47.200113.3
55G43.6Very low57.5Low56 Ų56119.5 Ų119.558%0.57771%0.705SS**  trans-68.5165.2170.800000112.3A53 A57A53-G55 PolarHBondContact O-N 3.19Å; G55-A57 PolarHBondContact O-N 3.16Å
56C56.7Low59Low83 Ų83116 Ų11656%0.56169%0.689SS**  trans-74.365.6-177.5-57.60000112.8C62C56-C62 WeakPolarHBondContact CA-SG 3.49Å; C56-C62 HydrophobicContact CB-CB 3.73Å; C56-C62 WeakPolarHBondContact CB-SG 3.42Å; C56-C62 WeakPolarHBondContact SG-CB 3.41Å; C56-C62 CovalentContact SG-SG 2.03Å; C56-C62 PolarHBondContact SG-SG 3.35Å
57A50.2Low61.2Low80 Ų80109.4 Ų109.466%0.66167%0.669SS**  trans-62149.3169.300000111G55 A59G55-A57 PolarHBondContact O-N 3.16Å; A57-A59 VanDerWaalsContact C-N 3.31Å; A57-A59 PolarHBondContact O-N 2.87Å
58E60.8Low63.3Low190 Ų190104 Ų10489%0.88864%0.643SS**THydrogen-bonded Turntrans-83.958.3-155.7-65.1178101.900115.1
59A49.2Very low65.4Low84 Ų84101.6 Ų101.669%0.69463%0.627SS**THydrogen-bonded Turntrans-152.7108.9160.500000110.9A57 G61A57-A59 VanDerWaalsContact C-N 3.31Å; A57-A59 PolarHBondContact O-N 2.87Å; A59-G61 PolarHBondContact O-N 3.21Å
60E53.8Low67.6Low165 Ų16598.3 Ų98.377%0.77159%0.593SS**THydrogen-bonded Turntrans53.9-7174.6-66.3-127.2103.600118.9C62E60-C62 PolarHBondContact O-N 3.15Å; E60-C62 VanDerWaalsContact O-N 3.14Å
61G59.1Low70.1Confident61 Ų6195.7 Ų95.763%0.62957%0.566SS**THydrogen-bonded Turntrans-67.5-20.1-161.500000117.8A59A59-G61 PolarHBondContact O-N 3.21Å
62C74.9Confident72.2Confident43 Ų4393.9 Ų93.929%0.29155%0.549SS..THydrogen-bonded Turntrans-131.719.7-169.5-75.70000115.8C56 E60 P75C56-C62 WeakPolarHBondContact CA-SG 3.49Å; C56-C62 HydrophobicContact CB-CB 3.73Å; C56-C62 WeakPolarHBondContact CB-SG 3.42Å; C56-C62 WeakPolarHBondContact SG-CB 3.41Å; C56-C62 CovalentContact SG-SG 2.03Å; C56-C62 PolarHBondContact SG-SG 3.35Å; E60-C62 PolarHBondContact O-N 3.15Å; E60-C62 VanDerWaalsContact O-N 3.14Å; C62-P75 HydrophobicContact CB-CB 4.35Å; C62-P75 WeakPolarHBondContact O-CB 3.33Å
63L89.8Confident74.5Confident77 Ų7797.3 Ų97.340%0.40355%0.548SS..PPolyproline II helixtrans-89.3127.2171.4-66.9176000111.3N76 A78L63-N76 WeakPolarHBondContact CA-O 3.35Å; L63-N76 HydrophobicContact CD2-CB 4.39Å; L63-A78 HydrophobicContact CB-CB 4.02Å
64R91.1Very high76.7Confident81 Ų8194.4 Ų94.431%0.30652%0.521SS..BIsolated β-bridgetrans-73.1126.4177.5-67.6-72.6174.1132-13.4110.3Q68 E69 P75 N76 C77 A78 C103R64-Q68 HydrophobicContact CB-CB 4.42Å; R64-E69 PolarHBondContact NH1-O 3.44Å; R64-P75 WeakPolarHBondContact CG-O 3.34Å; R64-N76 PolarHBondContact N-O 2.03Å; R64-C77 CarbonylContact O-C 3.57Å; R64-C77 WeakPolarHBondContact O-CA 3.34Å; R64-A78 PolarHBondContact O-N 2.7Å; R64-C103 WeakPolarHBondContact CB-SG 3.42Å
65R92.8Very high79Confident168 Ų16887.4 Ų87.463%0.63449%0.492SS*.PPolyproline II helixtrans-78.2166.7-178.8-59.7-179.9-178.2-103.5-8.2111.1G67 Q68 C103R65-G67 PolarHBondContact O-N 3.44Å; R65-Q68 HydrophobicContact CB-CG 4.11Å; R65-Q68 VanDerWaalsContact O-CB 3.28Å; R65-Q68 WeakPolarHBondContact O-CB 3.33Å; R65-Q68 PolarHBondContact O-N 2.91Å; R65-Q68 VanDerWaalsContact O-N 3.09Å; R65-C103 WeakPolarHBondContact O-CB 3.49Å
66E94.9Very high81.3Confident125 Ų12590.9 Ų90.958%0.58450%0.498SS*.THydrogen-bonded Turntrans-54.8139.1177.8-167.3176.1176.900111.6Q68 L81 C103 P105E66-Q68 PolarHBondContact O-N 2.79Å; E66-Q68 VanDerWaalsContact O-N 3.13Å; E66-L81 HydrophobicContact CB-CD1 4.02Å; E66-L81 HydrophobicContact CB-CD2 4.11Å; E66-L81 HydrophobicContact CG-CD2 4.13Å; E66-L81 VanDerWaalsContact N-CD1 3.33Å; E66-C103 CarbonylContact C-O 3.06Å; E66-C103 WeakPolarHBondContact CA-O 3.44Å; E66-P105 WeakPolarHBondContact OE1-CD 3.26Å; E66-P105 WeakPolarHBondContact OE1-CG 3.07Å
67G93.5Very high83.1Confident40 Ų4087.9 Ų87.941%0.41248%0.477SS..THydrogen-bonded Turntrans73.5-12.1-176.400000115.8R65 R102 C103R65-G67 PolarHBondContact O-N 3.44Å; G67-R102 WeakPolarHBondContact O-CD 3.36Å; G67-C103 PolarHBondContact N-O 3.47Å
68Q94.8Very high85.1Confident81 Ų8185.4 Ų85.438%0.37946%0.457SS..  trans-70.6149.9177.3-66.9-171.4-21.500112.3R64 R65 E66 R102 C103R64-Q68 HydrophobicContact CB-CB 4.42Å; R65-Q68 HydrophobicContact CB-CG 4.11Å; R65-Q68 VanDerWaalsContact O-CB 3.28Å; R65-Q68 WeakPolarHBondContact O-CB 3.33Å; R65-Q68 PolarHBondContact O-N 2.91Å; R65-Q68 VanDerWaalsContact O-N 3.09Å; E66-Q68 PolarHBondContact O-N 2.79Å; E66-Q68 VanDerWaalsContact O-N 3.13Å; Q68-R102 WeakPolarHBondContact O-CA 3.46Å; Q68-C103 PolarHBondContact O-N 2.73Å; Q68-C103 VanDerWaalsContact O-N 3.08Å
69E95.8Very high86.6Confident121 Ų12184.5 Ų84.557%0.56546%0.457SS*.EExtended strand (participates in β ladder)trans-62.9138.6176.3-69.6-177.5123.200112.3R64 G101R64-E69 PolarHBondContact NH1-O 3.44Å; E69-G101 CarbonylContact C-O 3.46Å; E69-G101 VanDerWaalsContact CA-O 3.26Å; E69-G101 WeakPolarHBondContact CA-O 3.02Å
70C95.8Very high88.6Confident1 Ų183.3 Ų83.31%0.00745%0.453CS..EExtended strand (participates in β ladder)trans-153.1164.5-175.965.90000112.6T74 C83 G99 G101 R102 C103C70-T74 WeakPolarHBondContact CA-OG1 3.5Å; C70-C83 HydrophobicContact CB-CB 3.95Å; C70-C83 WeakPolarHBondContact CB-SG 3.03Å; C70-C83 PolarHBondContact O-SG 3.21Å; C70-C83 WeakPolarHBondContact SG-CA 3.28Å; C70-C83 WeakPolarHBondContact SG-CB 3.45Å; C70-C83 CovalentContact SG-SG 2.03Å; C70-C83 PolarHBondContact SG-SG 3.33Å; C70-G99 PolarHBondContact N-O 2.89Å; C70-G99 CarbonylContact O-C 3.5Å; C70-G99 WeakPolarHBondContact O-CA 3.29Å; C70-G99 VanDerWaalsContact O-O 3.08Å; C70-G101 PolarHBondContact N-O 2.79Å; C70-G101 VanDerWaalsContact O-CA 3.32Å; C70-G101 WeakPolarHBondContact O-CA 3.48Å; C70-G101 PolarHBondContact O-N 3.18Å; C70-R102 VanDerWaalsContact SG-CA 3.55Å; C70-R102 PolarHBondContact SG-N 2.79Å; C70-R102 VanDerWaalsContact SG-N 3.44Å; C70-C103 PolarHBondContact SG-N 3.07Å; C70-C103 VanDerWaalsContact SG-N 3.44Å
71G94.8Very high90.6Very high13 Ų1377.1 Ų77.113%0.13443%0.425CS..  trans-178.4-172.2178.200000113.6Y73 T74 L96G71-Y73 PolarHBondContact O-N 3.22Å; G71-Y73 VanDerWaalsContact O-N 3.15Å; G71-T74 PolarHBondContact N-OG1 3.41Å; G71-T74 PolarHBondContact O-N 3.05Å; G71-T74 PolarHBondContact O-OG1 3.37Å; G71-L96 CarbonylContact C-O 3.59Å; G71-L96 WeakPolarHBondContact CA-O 3.37Å
72V94.9Very high92.3Very high89 Ų8979.5 Ų79.554%0.53942%0.42SS..THydrogen-bonded Turntrans-61-27.3-174-178.70000113.1L96 L97V72-L96 HydrophobicContact CG2-CB 4.31Å; V72-L96 PolarHBondContact N-O 3.17Å; V72-L97 HydrophobicContact CB-CD2 4.04Å; V72-L97 HydrophobicContact CG1-CD2 4.19Å; V72-L97 HydrophobicContact CG2-CD2 3.92Å; V72-L97 HydrophobicContact CG2-CG 4.29Å
73Y91.1Very high93.3Very high188 Ų18879.3 Ų79.374%0.73742%0.418SS*.THydrogen-bonded Turntrans-116.712.6-177.8-53.1-64.1000113.4G71 L97G71-Y73 PolarHBondContact O-N 3.22Å; G71-Y73 VanDerWaalsContact O-N 3.15Å; Y73-L97 HydrophobicContact CE2-CD2 3.69Å
74T90.2Very high93.7Very high38 Ų3877.8 Ų77.823%0.23341%0.409CS..SBendtrans-93.3165.6172.672.30000110.4C70 G71C70-T74 WeakPolarHBondContact CA-OG1 3.5Å; G71-T74 PolarHBondContact N-OG1 3.41Å; G71-T74 PolarHBondContact O-N 3.05Å; G71-T74 PolarHBondContact O-OG1 3.37Å
75P91.4Very high93.9Very high51 Ų5175.8 Ų75.833%0.33141%0.407SS..PPolyproline II helixtrans-56151.5161.8-21.733.6000111.5C62 R64C62-P75 HydrophobicContact CB-CB 4.35Å; C62-P75 WeakPolarHBondContact O-CB 3.33Å; R64-P75 WeakPolarHBondContact CG-O 3.34Å
76N92.3Very high94Very high130 Ų13070.1 Ų70.170%0.69539%0.392SS*.PPolyproline II helixtrans-66.6156.2-176.2-69.8-55.6000112.4L63 R64L63-N76 WeakPolarHBondContact CA-O 3.35Å; L63-N76 HydrophobicContact CD2-CB 4.39Å; R64-N76 PolarHBondContact N-O 2.03Å
77C94.2Very high93.7Very high19 Ų1972 Ų7213%0.12840%0.4CS..BIsolated β-bridgetrans-65.5153.4165.6-570000111.6R64 L81 C83 C103R64-C77 CarbonylContact O-C 3.57Å; R64-C77 WeakPolarHBondContact O-CA 3.34Å; C77-L81 HydrophobicContact CB-CB 3.7Å; C77-C83 PolarHBondContact SG-N 2.71Å; C77-C103 VanDerWaalsContact CA-SG 3.52Å; C77-C103 HydrophobicContact CB-CB 3.7Å; C77-C103 WeakPolarHBondContact CB-SG 3.32Å; C77-C103 WeakPolarHBondContact SG-CA 3.36Å; C77-C103 WeakPolarHBondContact SG-CB 3.13Å; C77-C103 CovalentContact SG-SG 2.04Å; C77-C103 PolarHBondContact SG-SG 2.91Å
78A92.3Very high93.5Very high28 Ų2877.8 Ų77.823%0.23142%0.422CS..PPolyproline II helixtrans-62.8164.9175.400000112.7L63 R64 G80 L81L63-A78 HydrophobicContact CB-CB 4.02Å; R64-A78 PolarHBondContact O-N 2.7Å; A78-G80 PolarHBondContact O-N 2.94Å; A78-L81 HydrophobicContact CB-CD1 4.08Å; A78-L81 WeakPolarHBondContact O-CB 3.03Å; A78-L81 PolarHBondContact O-N 3.34Å
79L91.7Very high93.3Very high171 Ų17175.2 Ų75.290%0.89541%0.411SS*.THydrogen-bonded Turntrans-55.6134.3179.7-62.5175.5000111.1L81L79-L81 VanDerWaalsContact C-N 3.3Å
80G92.4Very high93.1Very high59 Ų5978.8 Ų78.861%0.60843%0.428SS*.THydrogen-bonded Turntrans84.3-7.8-174.200000115.2A78 A106A78-G80 PolarHBondContact O-N 2.94Å; G80-A106 WeakPolarHBondContact O-CB 2.99Å; G80-A106 PolarHBondContact O-N 2.93Å
81L94.6Very high93.1Very high36 Ų3680.6 Ų80.619%0.18844%0.443CS..EExtended strand (participates in β ladder)trans-107150.3177.7-56.3177.2000112E66 C77 A78 L79 C103 L104 P105E66-L81 HydrophobicContact CB-CD1 4.02Å; E66-L81 HydrophobicContact CB-CD2 4.11Å; E66-L81 HydrophobicContact CG-CD2 4.13Å; E66-L81 VanDerWaalsContact N-CD1 3.33Å; C77-L81 HydrophobicContact CB-CB 3.7Å; A78-L81 HydrophobicContact CB-CD1 4.08Å; A78-L81 WeakPolarHBondContact O-CB 3.03Å; A78-L81 PolarHBondContact O-N 3.34Å; L79-L81 VanDerWaalsContact C-N 3.3Å; L81-C103 HydrophobicContact CB-CB 4.28Å; L81-C103 HydrophobicContact CD1-CB 4.12Å; L81-L104 CarbonylContact C-O 3.33Å; L81-L104 VanDerWaalsContact CA-O 3.28Å; L81-L104 WeakPolarHBondContact CA-O 3.42Å; L81-P105 HydrophobicContact CD2-CG 4.37Å
82Q95.6Very high93.1Very high111 Ų11182.8 Ų82.852%0.51945%0.454SS..EExtended strand (participates in β ladder)trans-133.2134.9175.6-179.2170.176.400110.8H84 L104 A106Q82-H84 PolarHBondContact O-N 3.04Å; Q82-H84 PolarHBondContact O-ND1 3.01Å; Q82-H84 PolarHBondContact OE1-CE1 3.45Å; Q82-L104 PolarHBondContact N-O 2.92Å; Q82-L104 PolarHBondContact O-N 3.17Å; Q82-L104 VanDerWaalsContact O-N 3.07Å; Q82-A106 HydrophobicContact CB-CB 4.22Å
83C96.3Very high93.1Very high38 Ų3885.1 Ų85.126%0.25746%0.463SS..EExtended strand (participates in β ladder)trans-69.7113.3178.2-169.40000110.9C70 C77 L96C70-C83 HydrophobicContact CB-CB 3.95Å; C70-C83 WeakPolarHBondContact CB-SG 3.03Å; C70-C83 PolarHBondContact O-SG 3.21Å; C70-C83 WeakPolarHBondContact SG-CA 3.28Å; C70-C83 WeakPolarHBondContact SG-CB 3.45Å; C70-C83 CovalentContact SG-SG 2.03Å; C70-C83 PolarHBondContact SG-SG 3.33Å; C77-C83 PolarHBondContact SG-N 2.71Å; C83-L96 VanDerWaalsContact SG-CD2 3.59Å
84H97.1Very high93.3Very high46 Ų4684.5 Ų84.521%0.21346%0.46CS..EExtended strand (participates in β ladder)trans-106.4147.9176.1-82.767.2000110.9Q82 G101 R102 L104Q82-H84 PolarHBondContact O-N 3.04Å; Q82-H84 PolarHBondContact O-ND1 3.01Å; Q82-H84 PolarHBondContact OE1-CE1 3.45Å; H84-G101 CarbonylContact O-C 3.51Å; H84-G101 WeakPolarHBondContact O-CA 3.47Å; H84-R102 PolarHBondContact N-O 2.85Å; H84-R102 PolarHBondContact O-N 2.93Å; H84-L104 HydrophobicContact CB-CD1 3.84Å; H84-L104 HydrophobicContact CB-CG 4.28Å
85P96.6Very high93.6Very high39 Ų3982.7 Ų82.725%0.25345%0.448SS..  trans-66.1163.4165.932.5-34.7000110.3P92 L96P85-P92 HydrophobicContact CB-CB 3.71Å; P85-P92 HydrophobicContact CG-CB 3.85Å; P85-L96 HydrophobicContact CB-CD1 4.46Å; P85-L96 HydrophobicContact CB-CG 4.24Å
86P93.9Very high93.8Very high49 Ų4981.7 Ų81.732%0.31844%0.44SS..  trans-60.9139.9165.5-12.226.7000109.7D88 D89 R100P86-D88 VanDerWaalsContact C-N 3.31Å; P86-D88 PolarHBondContact O-N 3.31Å; P86-D89 HydrophobicContact CB-CB 4.12Å; P86-D89 HydrophobicContact CG-CB 4.17Å; P86-D89 PolarHBondContact O-N 3.35Å; P86-R100 WeakPolarHBondContact CG-O 3.27Å
87E88.3Confident94Very high163 Ų16379.7 Ų79.776%0.76243%0.429SS*.THydrogen-bonded Turntrans-67.5-30.6-170.1-60.3-166111.800113.1
88D88.7Confident94Very high162 Ų16284.1 Ų84.187%0.86645%0.451SS*.THydrogen-bonded Turntrans-99.822.8178.5-47.2-75.5000114P86P86-D88 VanDerWaalsContact C-N 3.31Å; P86-D88 PolarHBondContact O-N 3.31Å
89D91Very high94.2Very high28 Ų2883.6 Ų83.615%0.1545%0.448CS..  trans-89.1116.3-180-161.1-75.7000112.3P86 A91 P92 R100P86-D89 HydrophobicContact CB-CB 4.12Å; P86-D89 HydrophobicContact CG-CB 4.17Å; P86-D89 PolarHBondContact O-N 3.35Å; D89-A91 PolarHBondContact O-N 2.84Å; D89-A91 VanDerWaalsContact OD1-C 3.24Å; D89-A91 WeakPolarHBondContact OD1-CA 3.32Å; D89-A91 PolarHBondContact OD1-N 3.2Å; D89-P92 WeakPolarHBondContact O-CD 3.45Å; D89-P92 VanDerWaalsContact O-CG 3.27Å; D89-P92 WeakPolarHBondContact O-CG 2.98Å; D89-R100 IonicContact OD1-NH1 3.93Å; D89-R100 IonicContact OD2-CZ 3.17Å; D89-R100 IonicContact OD2-NH1 2.7Å; D89-R100 PolarHBondContact OD2-NH1 3.44Å; D89-R100 IonicContact OD2-NH2 2.71Å; D89-R100 PolarHBondContact OD2-NH2 2.85Å
90E92.8Very high94.4Very high195 Ų19580.7 Ų80.791%0.91143%0.425SS*.SBendtrans-57.2-14.9177.3-67.3-73.6101.300114.5
91A94.4Very high94.6Very high40 Ų4077.9 Ų77.933%0.33140%0.396SS..  trans-135.767.4178.100000112.6D89 L93 R94 A95D89-A91 PolarHBondContact O-N 2.84Å; D89-A91 VanDerWaalsContact OD1-C 3.24Å; D89-A91 WeakPolarHBondContact OD1-CA 3.32Å; D89-A91 PolarHBondContact OD1-N 3.2Å; A91-L93 VanDerWaalsContact C-N 3.35Å; A91-L93 PolarHBondContact O-N 2.98Å; A91-L93 VanDerWaalsContact O-N 3.16Å; A91-R94 HydrophobicContact CB-CB 3.79Å; A91-R94 CarbonylContact O-C 3.55Å; A91-R94 WeakPolarHBondContact O-CA 3.24Å; A91-R94 WeakPolarHBondContact O-CB 3.4Å; A91-R94 PolarHBondContact O-N 2.92Å; A91-A95 PolarHBondContact O-N 3.49Å
92P94.9Very high94.7Very high58 Ų5883.4 Ų83.438%0.37742%0.415SS..Hα-helixtrans-56.3-41.9-169-26.335.2000114.4P85 D89 R94 A95 L96P85-P92 HydrophobicContact CB-CB 3.71Å; P85-P92 HydrophobicContact CG-CB 3.85Å; D89-P92 WeakPolarHBondContact O-CD 3.45Å; D89-P92 VanDerWaalsContact O-CG 3.27Å; D89-P92 WeakPolarHBondContact O-CG 2.98Å; P92-R94 VanDerWaalsContact C-N 3.32Å; P92-R94 PolarHBondContact O-N 3.16Å; P92-A95 WeakPolarHBondContact O-CB 3.46Å; P92-A95 PolarHBondContact O-N 3.17Å; P92-L96 WeakPolarHBondContact O-CG 3.49Å; P92-L96 PolarHBondContact O-N 2.9Å
93L95.8Very high94.8Very high138 Ų13878.1 Ų78.172%0.72339%0.39SS*.Hα-helixtrans-66.1-33.9176.5-63.8177.6000112.3A91 L97A91-L93 VanDerWaalsContact C-N 3.35Å; A91-L93 PolarHBondContact O-N 2.98Å; A91-L93 VanDerWaalsContact O-N 3.16Å; L93-L97 WeakPolarHBondContact O-CD1 3.34Å; L93-L97 VanDerWaalsContact O-CG 3.29Å; L93-L97 WeakPolarHBondContact O-CG 3.49Å; L93-L97 PolarHBondContact O-N 3.06Å
94R95.4Very high94.8Very high175 Ų17579.2 Ų79.266%0.6639%0.393SS*.Hα-helixtrans-73.2-38.1176.1-167.1-178.5178.898.30.1110.8A91 P92 L97 L98A91-R94 HydrophobicContact CB-CB 3.79Å; A91-R94 CarbonylContact O-C 3.55Å; A91-R94 WeakPolarHBondContact O-CA 3.24Å; A91-R94 WeakPolarHBondContact O-CB 3.4Å; A91-R94 PolarHBondContact O-N 2.92Å; P92-R94 VanDerWaalsContact C-N 3.32Å; P92-R94 PolarHBondContact O-N 3.16Å; R94-L97 PolarHBondContact O-N 3.21Å; R94-L98 HydrophobicContact CG-CD1 4.05Å; R94-L98 WeakPolarHBondContact O-CB 3.38Å; R94-L98 VanDerWaalsContact O-CG 3.24Å; R94-L98 WeakPolarHBondContact O-CG 3.5Å; R94-L98 PolarHBondContact O-N 2.88Å
95A95.1Very high94.6Very high0 Ų080.3 Ų80.30%040%0.404CS..Hα-helixtrans-58.3-47.3171.800000111.4A91 P92 L98 G99 R100A91-A95 PolarHBondContact O-N 3.49Å; P92-A95 WeakPolarHBondContact O-CB 3.46Å; P92-A95 PolarHBondContact O-N 3.17Å; A95-L98 CarbonylContact O-C 3Å; A95-L98 PolarHBondContact O-N 2.99Å; A95-L98 VanDerWaalsContact O-N 3.17Å; A95-G99 PolarHBondContact O-N 3.29Å; A95-R100 HydrophobicContact CB-CB 4.17Å; A95-R100 WeakPolarHBondContact O-CB 3.17Å; A95-R100 PolarHBondContact O-N 3.46Å
96L96.3Very high94.2Very high31 Ų3180.7 Ų80.716%0.16241%0.411CS..Hα-helixtrans-64.9-37.8176.5-71.6172.2000113.5G71 V72 C83 P85 P92 L98 G99G71-L96 CarbonylContact C-O 3.59Å; G71-L96 WeakPolarHBondContact CA-O 3.37Å; V72-L96 HydrophobicContact CG2-CB 4.31Å; V72-L96 PolarHBondContact N-O 3.17Å; C83-L96 VanDerWaalsContact SG-CD2 3.59Å; P85-L96 HydrophobicContact CB-CD1 4.46Å; P85-L96 HydrophobicContact CB-CG 4.24Å; P92-L96 WeakPolarHBondContact O-CG 3.49Å; P92-L96 PolarHBondContact O-N 2.9Å; L96-L98 PolarHBondContact O-N 2.81Å; L96-G99 PolarHBondContact O-N 3.11Å
97L95.9Very high93.6Very high87 Ų8788.2 Ų88.246%0.45543%0.433SS..Hα-helixtrans-66.8-26.9173.9-74.4164.6000112.7V72 Y73 L93 R94V72-L97 HydrophobicContact CB-CD2 4.04Å; V72-L97 HydrophobicContact CG1-CD2 4.19Å; V72-L97 HydrophobicContact CG2-CD2 3.92Å; V72-L97 HydrophobicContact CG2-CG 4.29Å; Y73-L97 HydrophobicContact CE2-CD2 3.69Å; L93-L97 WeakPolarHBondContact O-CD1 3.34Å; L93-L97 VanDerWaalsContact O-CG 3.29Å; L93-L97 WeakPolarHBondContact O-CG 3.49Å; L93-L97 PolarHBondContact O-N 3.06Å; R94-L97 PolarHBondContact O-N 3.21Å
98L96.1Very high92.4Very high113 Ų11384.4 Ų84.459%0.59243%0.429SS*.THydrogen-bonded Turntrans-92.44.9178.1-67.1171.6000114R94 A95 L96 R100R94-L98 HydrophobicContact CG-CD1 4.05Å; R94-L98 WeakPolarHBondContact O-CB 3.38Å; R94-L98 VanDerWaalsContact O-CG 3.24Å; R94-L98 WeakPolarHBondContact O-CG 3.5Å; R94-L98 PolarHBondContact O-N 2.88Å; A95-L98 CarbonylContact O-C 3Å; A95-L98 PolarHBondContact O-N 2.99Å; A95-L98 VanDerWaalsContact O-N 3.17Å; L96-L98 PolarHBondContact O-N 2.81Å; L98-R100 VanDerWaalsContact C-N 3.3Å; L98-R100 HydrophobicContact CB-CG 4.37Å; L98-R100 PolarHBondContact O-N 3.18Å
99G95.4Very high90.6Very high16 Ų1682.2 Ų82.217%0.16542%0.423CS..THydrogen-bonded Turntrans75.611.3-179.700000115.4C70 A95 L96C70-G99 PolarHBondContact N-O 2.89Å; C70-G99 CarbonylContact O-C 3.5Å; C70-G99 WeakPolarHBondContact O-CA 3.29Å; C70-G99 VanDerWaalsContact O-O 3.08Å; A95-G99 PolarHBondContact O-N 3.29Å; L96-G99 PolarHBondContact O-N 3.11Å
100R96.9Very high88.4Confident111 Ų11185.9 Ų85.942%0.41946%0.458SS..  trans-87.85.8-176.6-68.3177.254.7-111.9-10.9114.5P86 D89 A95 L98P86-R100 WeakPolarHBondContact CG-O 3.27Å; D89-R100 IonicContact OD1-NH1 3.93Å; D89-R100 IonicContact OD2-CZ 3.17Å; D89-R100 IonicContact OD2-NH1 2.7Å; D89-R100 PolarHBondContact OD2-NH1 3.44Å; D89-R100 IonicContact OD2-NH2 2.71Å; D89-R100 PolarHBondContact OD2-NH2 2.85Å; A95-R100 HydrophobicContact CB-CB 4.17Å; A95-R100 WeakPolarHBondContact O-CB 3.17Å; A95-R100 PolarHBondContact O-N 3.46Å; L98-R100 VanDerWaalsContact C-N 3.3Å; L98-R100 HydrophobicContact CB-CG 4.37Å; L98-R100 PolarHBondContact O-N 3.18Å
101G96.2Very high86.1Confident0 Ų083 Ų830%045%0.453CS..EExtended strand (participates in β ladder)trans-72.8173.4170.200000111.7E69 C70 H84E69-G101 CarbonylContact C-O 3.46Å; E69-G101 VanDerWaalsContact CA-O 3.26Å; E69-G101 WeakPolarHBondContact CA-O 3.02Å; C70-G101 PolarHBondContact N-O 2.79Å; C70-G101 VanDerWaalsContact O-CA 3.32Å; C70-G101 WeakPolarHBondContact O-CA 3.48Å; C70-G101 PolarHBondContact O-N 3.18Å; H84-G101 CarbonylContact O-C 3.51Å; H84-G101 WeakPolarHBondContact O-CA 3.47Å
102R96.9Very high83.7Confident152 Ų15285 Ų8557%0.57447%0.47SS*.EExtended strand (participates in β ladder)trans-128.8145170.8-69.5-174.9178.8176.1-0.2112.1G67 Q68 C70 H84 L104G67-R102 WeakPolarHBondContact O-CD 3.36Å; Q68-R102 WeakPolarHBondContact O-CA 3.46Å; C70-R102 VanDerWaalsContact SG-CA 3.55Å; C70-R102 PolarHBondContact SG-N 2.79Å; C70-R102 VanDerWaalsContact SG-N 3.44Å; H84-R102 PolarHBondContact N-O 2.85Å; H84-R102 PolarHBondContact O-N 2.93Å; R102-L104 HydrophobicContact CB-CD2 4.43Å; R102-L104 PolarHBondContact O-N 2.82Å
103C96.6Very high81.3Confident0 Ų090.8 Ų90.80%049%0.492CS..EExtended strand (participates in β ladder)trans-72.7109.5171.4-650000109.7R64 R65 E66 G67 Q68 C70 C77 L81R64-C103 WeakPolarHBondContact CB-SG 3.42Å; R65-C103 WeakPolarHBondContact O-CB 3.49Å; E66-C103 CarbonylContact C-O 3.06Å; E66-C103 WeakPolarHBondContact CA-O 3.44Å; G67-C103 PolarHBondContact N-O 3.47Å; Q68-C103 PolarHBondContact O-N 2.73Å; Q68-C103 VanDerWaalsContact O-N 3.08Å; C70-C103 PolarHBondContact SG-N 3.07Å; C70-C103 VanDerWaalsContact SG-N 3.44Å; C77-C103 VanDerWaalsContact CA-SG 3.52Å; C77-C103 HydrophobicContact CB-CB 3.7Å; C77-C103 WeakPolarHBondContact CB-SG 3.32Å; C77-C103 WeakPolarHBondContact SG-CA 3.36Å; C77-C103 WeakPolarHBondContact SG-CB 3.13Å; C77-C103 CovalentContact SG-SG 2.04Å; C77-C103 PolarHBondContact SG-SG 2.91Å; L81-C103 HydrophobicContact CB-CB 4.28Å; L81-C103 HydrophobicContact CD1-CB 4.12Å
104L95.7Very high78.2Confident60 Ų6092.4 Ų92.431%0.31450%0.496SS..EExtended strand (participates in β ladder)trans-113.3158.2176.6-59.4-177.3000110L81 Q82 H84 R102 A106L81-L104 CarbonylContact C-O 3.33Å; L81-L104 VanDerWaalsContact CA-O 3.28Å; L81-L104 WeakPolarHBondContact CA-O 3.42Å; Q82-L104 PolarHBondContact N-O 2.92Å; Q82-L104 PolarHBondContact O-N 3.17Å; Q82-L104 VanDerWaalsContact O-N 3.07Å; H84-L104 HydrophobicContact CB-CD1 3.84Å; H84-L104 HydrophobicContact CB-CG 4.28Å; R102-L104 HydrophobicContact CB-CD2 4.43Å; R102-L104 PolarHBondContact O-N 2.82Å; L104-A106 PolarHBondContact O-N 3.37Å
105P94.9Very high75.3Confident69 Ų6991 Ų9145%0.44850%0.501SS..EExtended strand (participates in β ladder)trans-52.3128171.5-27.136.3000111.5E66 L81 R107E66-P105 WeakPolarHBondContact OE1-CD 3.26Å; E66-P105 WeakPolarHBondContact OE1-CG 3.07Å; L81-P105 HydrophobicContact CD2-CG 4.37Å; P105-R107 PolarHBondContact O-N 3.12Å
106A87.8Confident73.2Confident48 Ų4894.8 Ų94.840%0.39753%0.526SS..PPolyproline II helixtrans-62.8120.7173.200000108.3G80 Q82 L104 A108G80-A106 WeakPolarHBondContact O-CB 2.99Å; G80-A106 PolarHBondContact O-N 2.93Å; Q82-A106 HydrophobicContact CB-CB 4.22Å; L104-A106 PolarHBondContact O-N 3.37Å; A106-A108 PolarHBondContact O-N 2.04Å; A106-A108 VanDerWaalsContact O-N 3.08Å
107R80.4Confident70.3Confident207 Ų207102.5 Ų102.578%0.78156%0.558SS**PPolyproline II helixtrans-55.7119.6-178.9-66.6-175.2-177.4-171.21109P105P105-R107 PolarHBondContact O-N 3.12Å
108A63.3Low67.4Low83 Ų83106.3 Ų106.369%0.68657%0.574SS**PPolyproline II helixtrans-56.9145.4175.800000110A106 A110A106-A108 PolarHBondContact O-N 2.04Å; A106-A108 VanDerWaalsContact O-N 3.08Å; A108-A110 PolarHBondContact O-N 2.74Å
109P51.8Low64.7Low115 Ų115107.1 Ų107.175%0.74759%0.588SS**PPolyproline II helixtrans-58.3126.917226-33.5000108.7V111P109-V111 PolarHBondContact O-N 2.99Å
110A44.6Very low61.7Low105 Ų105114 Ų11487%0.86861%0.614SS**  trans-70.191.5-173.400000111.3A108A108-A110 PolarHBondContact O-N 2.74Å
111V44.5Very low58.8Low134 Ų134115.9 Ų115.981%0.81263%0.632SS**  trans-68.9126.7155.2-173.40000106.5P109P109-V111 PolarHBondContact O-N 2.99Å
112A44.4Very low55.9Low83 Ų83123.2 Ų123.269%0.68667%0.666SS**  trans-81.4146.7-177.200000111.7
113E43.3Very low52.7Low180 Ų180120.6 Ų120.684%0.84168%0.677SS**  trans60.6139.7-179.2-45.1-63.667.200114.2
114E31.2Very low49.6Very low172 Ų172124.4 Ų124.480%0.80472%0.716SS**  cis-148.8156.920.3-170.5-168.3105.300110.4
115N35Very low46.6Very low146 Ų146129 Ų12978%0.78175%0.746SS**  trans-122.7133.3161.4-161.4-96.2000105.9
116P50Low43.5Very low79 Ų79129.2 Ų129.251%0.51376%0.762SS.*  -158.5156.162.440.7-19.6000119.2
117K35.2Very low40.9Very low192 Ų192138.5 Ų138.584%0.83579%0.787SS**  179.5137.5106.1-97.6161.3-172.7171.10116.6
118E35.5Very low39.1Very low168 Ų168133.2 Ų133.279%0.78578%0.779SS**  trans-35.5147161.1178.91748200117
119S38.7Very low37.7Very low129 Ų129138.6 Ų138.690%0.90279%0.79SS**  trans-150.1137.8154.7-790000109.8
120K33.1Very low37Very low160 Ų160140.7 Ų140.770%0.69680%0.795SS**  trans-138120.3-158.8170.5-169.8172.2-177.90112.7
121L36.3Very low36.7Very low152 Ų152140.5 Ų140.580%0.79679%0.793SS**  trans-152.5105156.1-137.161.1000106.3
122Q35.9Very low36.4Very low153 Ų153141.4 Ų141.472%0.71579%0.794SS**  48.8136.193.4-60.1-176.966.900113.3
123A28.9Very low36Very low97 Ų97148.8 Ų148.880%0.80280%0.804SS**  cis167.7140.2-14.100000103.5
124G31Very low35.4Very low80 Ų80150.6 Ų150.683%0.82580%0.803SS**  trans-153.4121.6178.500000111.3
125T32.9Very low35.5Very low156 Ų156148.1 Ų148.196%0.95780%0.795SS**  trans-101.9132.5-165.2-48.80000111.8
126G28.9Very low35.8Very low75 Ų75150.8 Ų150.877%0.77380%0.803SS**  trans-169.3106.7174.600000114.5
127R34.3Very low35.4Very low243 Ų243155.1 Ų155.192%0.91782%0.816SS**  trans-165.9160171.1-132.9-168.2175.4-177.4-1.1108.2
128P41.9Very low35.5Very low96 Ų96154.6 Ų154.662%0.62381%0.814SS**  cis-114.9177.1-21.540.5-28.9000111.9
129Q33.8Very low35.9Very low196 Ų196154.3 Ų154.392%0.91682%0.818SS**  trans-142.3122.8150.3-73.5-162.3-1.100111.1
130D37.6Very low35.9Very low158 Ų158153.2 Ų153.285%0.84581%0.808SS**  trans-90.4137.5169.1-76.8-84.5000110.6
131A37.8Very low35.9Very low101 Ų101148.6 Ų148.684%0.83581%0.806SS**  trans-14979.6173.100000112R133A131-R133 PolarHBondContact O-N 3.18Å
132N39.2Very low35.7Very low154 Ų154147.9 Ų147.982%0.82481%0.808SS**  trans-63.7121.3170.8170.44000111.1R134N132-R134 PolarHBondContact OD1-N 2.96Å
133R35.8Very low35.8Very low238 Ų238145.5 Ų145.590%0.89881%0.808SS**  trans-145.179158.9-142.3171.5-170-175.41.7116.4A131A131-R133 PolarHBondContact O-N 3.18Å
134R31.4Very low36Very low217 Ų217146.8 Ų146.882%0.81981%0.806SS**  54.3102.8126.3-162.9-180-150.1-163.47.8119.1N132N132-R134 PolarHBondContact OD1-N 2.96Å
135N32.2Very low36.4Very low120 Ų120149.2 Ų149.264%0.64281%0.805SS**  trans38.7117.3132.7-175.98.2000119.2Q137N135-Q137 PolarHBondContact OD1-N 3.14Å
136Q40.6Very low36.9Very low202 Ų202147.2 Ų147.294%0.94480%0.795SS**  trans-13786.1142.5-118.8178.9112.400112.3
137Q43.3Very low37.2Very low171 Ų171148.3 Ų148.380%0.79979%0.791SS**  trans-70.3126170.4-176.5161.418.300110.9N135N135-Q137 PolarHBondContact OD1-N 3.14Å
138K36.6Very low37.8Very low181 Ų181145.5 Ų145.579%0.78779%0.788SS**  trans-147.670.8171.6-160.6177-179.2-179.90114.1
139N44.4Very low38Very low161 Ų161145.8 Ų145.886%0.86179%0.79SS**  trans-96.6132.9144.4-82.66.5000108.3
140P37.5Very low38.8Very low106 Ų106144.3 Ų144.369%0.68879%0.788SS**  trans-113.1143.2147.3-2.523.7000111.3
141G33.6Very low39.2Very low64 Ų64142 Ų14266%0.6679%0.785SS**  trans-82.1-155152.400000110.4
142T32.1Very low39.8Very low137 Ų137142.3 Ų142.384%0.8479%0.787SS**  cis-171159.40.8-4.10000107.2
143S39Very low40.4Very low102 Ų102138.1 Ų138.171%0.71378%0.78SS**  cis-120.9-110.33.1-60.50000111.4
144T32.9Very low41Very low125 Ų125133.8 Ų133.877%0.76778%0.78SS**  cis-153.4128.31.9-55.70000110
145T39.5Very low42Very low131 Ų131131.2 Ų131.280%0.80478%0.777SS**  trans-87.6149.5176.3-32.40000111.6
146P42.5Very low42.8Very low113 Ų113132.2 Ų132.273%0.73478%0.782SS**  trans-137.3124.9130.624.7-6000114.9
147S34.7Very low43.7Very low99 Ų99128 Ų12869%0.69277%0.77SS**  trans58109.8134.1-51.50000122.6
148Q47.1Very low45.1Very low184 Ų184128.7 Ų128.786%0.8677%0.774SS**  trans69.5161.9144-83.9-179.1-101.300120.5
149P46.3Very low47.1Very low101 Ų101124 Ų12466%0.65676%0.755SS**  cis-117.6175.6-15.524-3000113.1S151P149-S151 PolarHBondContact O-N 3.44Å
150N51.5Low49.3Very low166 Ų166116.7 Ų116.789%0.88872%0.718SS**  trans-62.1132.7170.3-67.4-35.2000111.3
151S44.8Very low52.1Low110 Ų110114 Ų11477%0.76970%0.701SS**  trans-125.196.7159.1-720000108.9P149P149-S151 PolarHBondContact O-N 3.44Å
152A50Low55.1Low107 Ų107110.9 Ų110.988%0.88467%0.669SS**  trans-67.6141.1165.400000109
153G53.5Low58.2Low65 Ų65109.2 Ų109.267%0.6765%0.647SS**  trans110.746.2-175.600000114.8Q155G153-Q155 PolarHBondContact O-N 3.38Å
154V47.3Very low60.8Low148 Ų148112.3 Ų112.390%0.89764%0.643SS**  trans-59.4123.6150.4178.90000106.3D156V154-D156 PolarHBondContact O-N 2.75Å; V154-D156 VanDerWaalsContact O-N 3.11Å
155Q53.7Low63.7Low163 Ų163109.5 Ų109.576%0.76262%0.622SS**  trans-75.5103.5-160-72.7-164.190.600113.3G153 T157G153-Q155 PolarHBondContact O-N 3.38Å; Q155-T157 PolarHBondContact O-N 2.81Å
156D49.3Very low66.3Low140 Ų140104.6 Ų104.675%0.74959%0.59SS**THydrogen-bonded Turntrans-75.662169.2-160.4-26.2000111.1V154V154-D156 PolarHBondContact O-N 2.75Å; V154-D156 VanDerWaalsContact O-N 3.11Å
157T57.9Low68.7Low113 Ų113101.9 Ų101.969%0.69357%0.57SS**THydrogen-bonded Turntrans-136.6-4.317933.90000113.8Q155 M159Q155-T157 PolarHBondContact O-N 2.81Å; T157-M159 PolarHBondContact O-N 2.97Å
158E72.9Confident71.4Confident187 Ų187100.6 Ų100.687%0.87456%0.561SS**  trans-76.2-11.7170.4-152.3-178.2124.400112.5G160E158-G160 PolarHBondContact O-N 2.9Å
159M79.3Confident73.5Confident81 Ų8192.1 Ų92.140%0.39952%0.521SS..  trans-82.2103.3-170.9-155.775.7-79.100113.9T157 R163 R164T157-M159 PolarHBondContact O-N 2.97Å; M159-R163 HydrophobicContact CE-CB 3.84Å; M159-R163 HydrophobicContact CE-CG 3.6Å; M159-R163 HydrophobicContact CG-CB 4.07Å; M159-R163 HydrophobicContact CG-CG 3.88Å; M159-R163 HydrophobicContact SD-CB 4.09Å; M159-R163 HydrophobicContact SD-CG 3.42Å; M159-R163 WeakPolarHBondContact SD-CG 3.25Å; M159-R164 HydrophobicContact CB-CG 4.05Å; M159-R164 HydrophobicContact CG-CG 3.96Å; M159-R164 VanDerWaalsContact O-CD 3.25Å; M159-R164 WeakPolarHBondContact O-CD 3.42Å; M159-R164 WeakPolarHBondContact O-CG 3.37Å
160G91Very high75.5Confident8 Ų890.7 Ų90.78%0.08251%0.508CS..  trans-56.5159.7-177.700000116E158 C162 R163 R164 G193E158-G160 PolarHBondContact O-N 2.9Å; G160-C162 PolarHBondContact O-N 3.3Å; G160-R163 PolarHBondContact O-N 3.46Å; G160-R164 PolarHBondContact O-N 2.04Å; G160-R164 VanDerWaalsContact O-N 3.12Å; G160-G193 CarbonylContact C-O 3.52Å; G160-G193 WeakPolarHBondContact CA-O 3.4Å
161P95.6Very high77.2Confident49 Ų4989.3 Ų89.332%0.31850%0.496SS..Hα-helixtrans-68.4-26.3-165.527.5-36.2000114.9F194 Y195P161-F194 HydrophobicContact CG-CD1 3.88Å; P161-F194 HydrophobicContact CG-CE1 4.03Å; P161-Y195 HydrophobicContact CB-CE2 4.38Å
162C96.9Very high79Confident0 Ų089 Ų890%048%0.482CS..Hα-helixtrans-73.7-40.9172.1-175.70000110.9G160 H165 L166 C189 G193 F194 Y195G160-C162 PolarHBondContact O-N 3.3Å; C162-H165 WeakPolarHBondContact O-CB 3.47Å; C162-H165 PolarHBondContact O-N 3.05Å; C162-L166 PolarHBondContact O-N 2.84Å; C162-C189 HydrophobicContact CB-CB 3.76Å; C162-C189 WeakPolarHBondContact CB-SG 3.48Å; C162-C189 PolarHBondContact O-SG 3.4Å; C162-C189 VanDerWaalsContact O-SG 3.37Å; C162-C189 WeakPolarHBondContact SG-CA 3.42Å; C162-C189 WeakPolarHBondContact SG-CB 3.38Å; C162-C189 CovalentContact SG-SG 2.04Å; C162-C189 PolarHBondContact SG-SG 2.98Å; C162-G193 WeakPolarHBondContact CA-O 3.4Å; C162-G193 WeakPolarHBondContact CB-O 3.49Å; C162-G193 PolarHBondContact N-O 3.38Å; C162-F194 WeakPolarHBondContact CB-O 3.43Å; C162-Y195 VanDerWaalsContact CA-CE2 3.48Å; C162-Y195 HydrophobicContact CB-CD1 3.83Å; C162-Y195 HydrophobicContact CB-CD2 3.53Å; C162-Y195 HydrophobicContact CB-CE1 3.98Å; C162-Y195 HydrophobicContact CB-CE2 3.71Å; C162-Y195 HydrophobicContact CB-CG 3.61Å; C162-Y195 WeakPolarHBondContact SG-CD1 3.34Å
163R95.9Very high80.3Confident101 Ų10187 Ų8738%0.38146%0.457SS..Hα-helixtrans-68.6-43.5-176.1-174.760.5-160.2-130.89.1111.6M159 G160 H165 L166 D167 G193M159-R163 HydrophobicContact CE-CB 3.84Å; M159-R163 HydrophobicContact CE-CG 3.6Å; M159-R163 HydrophobicContact CG-CB 4.07Å; M159-R163 HydrophobicContact CG-CG 3.88Å; M159-R163 HydrophobicContact SD-CB 4.09Å; M159-R163 HydrophobicContact SD-CG 3.42Å; M159-R163 WeakPolarHBondContact SD-CG 3.25Å; G160-R163 PolarHBondContact O-N 3.46Å; R163-H165 PolarHBondContact O-N 3.27Å; R163-L166 WeakPolarHBondContact O-CA 3.06Å; R163-L166 WeakPolarHBondContact O-CB 3.06Å; R163-L166 PolarHBondContact O-N 3.11Å; R163-D167 WeakPolarHBondContact CG-OD2 3.21Å; R163-D167 IonicContact CZ-OD1 3.51Å; R163-D167 VanDerWaalsContact CZ-OD1 3.28Å; R163-D167 IonicContact CZ-OD2 3.28Å; R163-D167 VanDerWaalsContact NE-CG 3.29Å; R163-D167 IonicContact NE-OD1 3.77Å; R163-D167 PolarHBondContact NE-OD1 2.83Å; R163-D167 IonicContact NE-OD2 3.47Å; R163-D167 PolarHBondContact NE-OD2 3.36Å; R163-D167 IonicContact NH2-OD1 2.68Å; R163-D167 PolarHBondContact NH2-OD1 2.95Å; R163-D167 IonicContact NH2-OD2 2.74Å; R163-D167 PolarHBondContact O-N 2.04Å; R163-D167 VanDerWaalsContact O-OD2 3.04Å; R163-G193 PolarHBondContact N-O 3.27Å
164R94.9Very high81.4Confident167 Ų16791.3 Ų91.363%0.6346%0.459SS*.Hα-helixtrans-57.2-34.6171.8-69.3-17861.2-101.3-6.5113.5M159 G160 S168M159-R164 HydrophobicContact CB-CG 4.05Å; M159-R164 HydrophobicContact CG-CG 3.96Å; M159-R164 VanDerWaalsContact O-CD 3.25Å; M159-R164 WeakPolarHBondContact O-CD 3.42Å; M159-R164 WeakPolarHBondContact O-CG 3.37Å; G160-R164 PolarHBondContact O-N 2.04Å; G160-R164 VanDerWaalsContact O-N 3.12Å; R164-S168 PolarHBondContact O-N 2.92Å
165H94.3Very high82.6Confident67 Ų6787.5 Ų87.531%0.3144%0.436SS..Hα-helixtrans-73.5-41.2173.1-179.9-166000111.8C162 R163 S168 V169 P187 Y195C162-H165 WeakPolarHBondContact O-CB 3.47Å; C162-H165 PolarHBondContact O-N 3.05Å; R163-H165 PolarHBondContact O-N 3.27Å; H165-S168 PolarHBondContact O-N 3.12Å; H165-V169 WeakPolarHBondContact O-CG2 3.39Å; H165-V169 PolarHBondContact O-N 3.35Å; H165-P187 HydrophobicContact CB-CG 4.47Å; H165-Y195 WeakPolarHBondContact CB-OH 3.44Å; H165-Y195 AromaticContact ND1-CE1 3.93Å; H165-Y195 AromaticContact ND1-CZ 3.82Å; H165-Y195 PolarHBondContact ND1-OH 3.34Å
166L93.9Very high83Confident27 Ų2786.4 Ų86.414%0.14143%0.431CS..Hα-helixtrans-58.4-49.2175.5179.958.6000111.7C162 R163 S168 V169 L170 V186 P187C162-L166 PolarHBondContact O-N 2.84Å; R163-L166 WeakPolarHBondContact O-CA 3.06Å; R163-L166 WeakPolarHBondContact O-CB 3.06Å; R163-L166 PolarHBondContact O-N 3.11Å; L166-S168 VanDerWaalsContact C-N 3.31Å; L166-S168 PolarHBondContact O-N 3.24Å; L166-V169 PolarHBondContact O-N 3.03Å; L166-L170 HydrophobicContact CD1-CD1 4.11Å; L166-L170 HydrophobicContact CD1-CG 4.12Å; L166-L170 HydrophobicContact CG-CD1 3.92Å; L166-L170 HydrophobicContact CG-CG 4.37Å; L166-L170 WeakPolarHBondContact O-CB 3.39Å; L166-L170 VanDerWaalsContact O-CG 3.29Å; L166-L170 WeakPolarHBondContact O-CG 3.4Å; L166-L170 PolarHBondContact O-N 2.89Å; L166-V186 HydrophobicContact CD1-CG1 3.5Å; L166-P187 HydrophobicContact CB-CG 3.96Å; L166-P187 HydrophobicContact CD1-CG 4.2Å
167D93Very high83.7Confident57 Ų5785.8 Ų85.831%0.30543%0.432SS..Hα-helixtrans-65.7-35.3-178.3-63-48.9000111.5R163 L170 Q171R163-D167 WeakPolarHBondContact CG-OD2 3.21Å; R163-D167 IonicContact CZ-OD1 3.51Å; R163-D167 VanDerWaalsContact CZ-OD1 3.28Å; R163-D167 IonicContact CZ-OD2 3.28Å; R163-D167 VanDerWaalsContact NE-CG 3.29Å; R163-D167 IonicContact NE-OD1 3.77Å; R163-D167 PolarHBondContact NE-OD1 2.83Å; R163-D167 IonicContact NE-OD2 3.47Å; R163-D167 PolarHBondContact NE-OD2 3.36Å; R163-D167 IonicContact NH2-OD1 2.68Å; R163-D167 PolarHBondContact NH2-OD1 2.95Å; R163-D167 IonicContact NH2-OD2 2.74Å; R163-D167 PolarHBondContact O-N 2.04Å; R163-D167 VanDerWaalsContact O-OD2 3.04Å; D167-L170 PolarHBondContact O-N 3.42Å; D167-Q171 WeakPolarHBondContact O-CB 3.11Å; D167-Q171 PolarHBondContact O-N 2.83Å
168S90.9Very high83.9Confident72 Ų7282.3 Ų82.350%0.50341%0.406SS..Hα-helixtrans-63.5-44170.9179.80000112.7R164 H165 L166 Q171 Q172R164-S168 PolarHBondContact O-N 2.92Å; H165-S168 PolarHBondContact O-N 3.12Å; L166-S168 VanDerWaalsContact C-N 3.31Å; L166-S168 PolarHBondContact O-N 3.24Å; S168-Q171 PolarHBondContact O-N 2.93Å; S168-Q172 PolarHBondContact O-N 3.21Å
169V90Very high83.3Confident6 Ų683.2 Ų83.24%0.03640%0.402CS..Hα-helixtrans-64.2-40.8175.1166.60000111.6H165 L166 Q172 L173 L184 V186H165-V169 WeakPolarHBondContact O-CG2 3.39Å; H165-V169 PolarHBondContact O-N 3.35Å; L166-V169 PolarHBondContact O-N 3.03Å; V169-Q172 PolarHBondContact O-N 3.18Å; V169-L173 HydrophobicContact CG1-CD1 4.03Å; V169-L173 WeakPolarHBondContact O-CG 3.04Å; V169-L173 PolarHBondContact O-N 3.28Å; V169-L184 HydrophobicContact CG1-CD1 4.22Å; V169-L184 HydrophobicContact CG1-CD2 3.96Å; V169-L184 HydrophobicContact CG2-CD2 4.43Å; V169-V186 HydrophobicContact CG1-CG2 4.28Å
170L88.4Confident82.3Confident71 Ų7182.7 Ų82.737%0.37242%0.418SS..Hα-helixtrans-65.5-40176.9-70.7172.2000111.8L166 D167 L173 Q174L166-L170 HydrophobicContact CD1-CD1 4.11Å; L166-L170 HydrophobicContact CD1-CG 4.12Å; L166-L170 HydrophobicContact CG-CD1 3.92Å; L166-L170 HydrophobicContact CG-CG 4.37Å; L166-L170 WeakPolarHBondContact O-CB 3.39Å; L166-L170 VanDerWaalsContact O-CG 3.29Å; L166-L170 WeakPolarHBondContact O-CG 3.4Å; L166-L170 PolarHBondContact O-N 2.89Å; D167-L170 PolarHBondContact O-N 3.42Å; L170-L173 HydrophobicContact CD2-CD1 4.43Å; L170-L173 PolarHBondContact O-N 2.85Å; L170-Q174 WeakPolarHBondContact O-CG 3Å; L170-Q174 PolarHBondContact O-N 3.41Å; L170-Q174 VanDerWaalsContact O-N 3.13Å
171Q87.5Confident80.7Confident137 Ų13786.7 Ų86.764%0.6445%0.45SS*.Hα-helixtrans-68.4-35175.2-172.2154.881.500112.2D167 S168 Q174D167-Q171 WeakPolarHBondContact O-CB 3.11Å; D167-Q171 PolarHBondContact O-N 2.83Å; S168-Q171 PolarHBondContact O-N 2.93Å; Q171-Q174 PolarHBondContact O-N 3.13Å
172Q82.6Confident79.1Confident103 Ų10391.2 Ų91.248%0.48147%0.467SS..Hα-helixtrans-65.5-38.8170.8-173175.9-1300112.1S168 V169 Q174 T175S168-Q172 PolarHBondContact O-N 3.21Å; V169-Q172 PolarHBondContact O-N 3.18Å; Q172-Q174 PolarHBondContact O-N 3.32Å; Q172-T175 WeakPolarHBondContact O-CB 3.09Å; Q172-T175 PolarHBondContact O-N 3.35Å; Q172-T175 VanDerWaalsContact O-N 3.1Å; Q172-T175 PolarHBondContact O-OG1 3.39Å
173L77.1Confident77.6Confident66 Ų6693.9 Ų93.935%0.34648%0.483SS..Hα-helixtrans-66-22.4175.3-76.3165.8000113.8V169 L170 T175 Y178 L184 V186V169-L173 HydrophobicContact CG1-CD1 4.03Å; V169-L173 WeakPolarHBondContact O-CG 3.04Å; V169-L173 PolarHBondContact O-N 3.28Å; L170-L173 HydrophobicContact CD2-CD1 4.43Å; L170-L173 PolarHBondContact O-N 2.85Å; L173-T175 VanDerWaalsContact C-N 3.26Å; L173-Y178 HydrophobicContact CD2-CD1 3.52Å; L173-Y178 HydrophobicContact CD2-CE1 4.14Å; L173-Y178 HydrophobicContact CD2-CG 3.94Å; L173-L184 HydrophobicContact CD1-CD1 4.35Å; L173-L184 HydrophobicContact CD2-CB 4.43Å; L173-L184 HydrophobicContact CD2-CD1 3.57Å; L173-L184 HydrophobicContact CG-CD1 3.67Å; L173-V186 HydrophobicContact CD1-CG2 4.26Å
174Q76.2Confident76.6Confident155 Ų15590.5 Ų90.572%0.72447%0.473SS*.THydrogen-bonded Turntrans-75.2-13.5173-71.9169.9-8.700113L170 Q171 Q172L170-Q174 WeakPolarHBondContact O-CG 3Å; L170-Q174 PolarHBondContact O-N 3.41Å; L170-Q174 VanDerWaalsContact O-N 3.13Å; Q171-Q174 PolarHBondContact O-N 3.13Å; Q172-Q174 PolarHBondContact O-N 3.32Å
175T73.8Confident76.2Confident67 Ų6784.6 Ų84.641%0.41145%0.451SS..SBendtrans-77.6138.4174.571.90000111Q172 L173 V177 Y178Q172-T175 WeakPolarHBondContact O-CB 3.09Å; Q172-T175 PolarHBondContact O-N 3.35Å; Q172-T175 VanDerWaalsContact O-N 3.1Å; Q172-T175 PolarHBondContact O-OG1 3.39Å; L173-T175 VanDerWaalsContact C-N 3.26Å; T175-V177 PolarHBondContact O-N 2.91Å; T175-Y178 PolarHBondContact O-N 3.11Å; T175-Y178 VanDerWaalsContact O-N 3.13Å
176E62.2Low76.1Confident140 Ų14084.4 Ų84.465%0.65445%0.454SS*.G310 helixtrans-62.7-19-172.7-55.6-154.710900114.1Y178 R179E176-Y178 PolarHBondContact O-N 2.89Å; E176-Y178 VanDerWaalsContact O-N 3.15Å; E176-R179 PolarHBondContact O-N 2.86Å; E176-R179 IonicContact OE1-CZ 2.85Å; E176-R179 IonicContact OE1-NH1 2.99Å; E176-R179 PolarHBondContact OE1-NH1 3.47Å; E176-R179 IonicContact OE1-NH2 3.8Å; E176-R179 PolarHBondContact OE1-NH2 2.94Å
177V64.3Low76.2Confident127 Ų12783.2 Ų83.277%0.7745%0.448SS*.G310 helixtrans-54.7-28.4174.8-174.50000112.4T175T175-V177 PolarHBondContact O-N 2.91Å
178Y61.8Low76.3Confident40 Ų4083.7 Ų83.716%0.15745%0.451CS..G310 helixtrans-91.29.1-171.7-131.7-85.4000116.2L173 T175 E176 G180 Q182 L184L173-Y178 HydrophobicContact CD2-CD1 3.52Å; L173-Y178 HydrophobicContact CD2-CE1 4.14Å; L173-Y178 HydrophobicContact CD2-CG 3.94Å; T175-Y178 PolarHBondContact O-N 3.11Å; T175-Y178 VanDerWaalsContact O-N 3.13Å; E176-Y178 PolarHBondContact O-N 2.89Å; E176-Y178 VanDerWaalsContact O-N 3.15Å; Y178-G180 PolarHBondContact O-N 2.92Å; Y178-Q182 HydrophobicContact CE1-CB 4.34Å; Y178-Q182 VanDerWaalsContact CE1-O 3.31Å; Y178-Q182 WeakPolarHBondContact CE1-O 3.36Å; Y178-Q182 HydrophobicContact CE2-CB 4.29Å; Y178-Q182 WeakPolarHBondContact OH-CB 3.25Å; Y178-Q182 PolarHBondContact OH-O 2.98Å; Y178-L184 HydrophobicContact CD1-CD1 4.18Å; Y178-L184 HydrophobicContact CD2-CD1 4.05Å; Y178-L184 HydrophobicContact CE1-CB 3.58Å; Y178-L184 HydrophobicContact CE1-CD1 3.87Å; Y178-L184 HydrophobicContact CE1-CG 3.93Å; Y178-L184 HydrophobicContact CE2-CB 4.46Å; Y178-L184 HydrophobicContact CE2-CD1 3.72Å; Y178-L184 HydrophobicContact CE2-CG 3.91Å; Y178-L184 HydrophobicContact CG-CD1 4.28Å; Y178-L184 VanDerWaalsContact CZ-CG 3.46Å; Y178-L184 WeakPolarHBondContact OH-CA 3.47Å; Y178-L184 VanDerWaalsContact OH-CB 3.31Å; Y178-L184 WeakPolarHBondContact OH-CB 3.28Å; Y178-L184 WeakPolarHBondContact OH-CG 3.45Å; Y178-L184 PolarHBondContact OH-N 3.23Å; Y178-L184 VanDerWaalsContact OH-N 3.08Å
179R60.6Low76.5Confident206 Ų20681.3 Ų81.378%0.77743%0.434SS*.SBendtrans-68.724.3-176.2-79-166.3177.4118.80.8117.1E176E176-R179 PolarHBondContact O-N 2.86Å; E176-R179 IonicContact OE1-CZ 2.85Å; E176-R179 IonicContact OE1-NH1 2.99Å; E176-R179 PolarHBondContact OE1-NH1 3.47Å; E176-R179 IonicContact OE1-NH2 3.8Å; E176-R179 PolarHBondContact OE1-NH2 2.94Å
180G56.6Low76.7Confident71 Ų7183 Ų8373%0.73244%0.442SS*.SBendtrans150.2-3.8162.500000118.7Y178Y178-G180 PolarHBondContact O-N 2.92Å
181A58.1Low76.9Confident92 Ų9288.4 Ų88.476%0.7647%0.465SS*.SBendtrans-84.8-17.1-166.600000116.6
182Q61.9Low77.1Confident143 Ų14389 Ų8967%0.66846%0.462SS*.SBendtrans-146.9155.4-168.4-70.3-176.610.800113.1Y178 L184Y178-Q182 HydrophobicContact CE1-CB 4.34Å; Y178-Q182 VanDerWaalsContact CE1-O 3.31Å; Y178-Q182 WeakPolarHBondContact CE1-O 3.36Å; Y178-Q182 HydrophobicContact CE2-CB 4.29Å; Y178-Q182 WeakPolarHBondContact OH-CB 3.25Å; Y178-Q182 PolarHBondContact OH-O 2.98Å; Q182-L184 PolarHBondContact O-N 3Å
183T65.7Low77.7Confident56 Ų5684.3 Ų84.334%0.34444%0.441SS..  trans-93.376.8-179.544.10000112.1Q204T183-Q204 HydrophobicContact CG2-CB 4.37Å; T183-Q204 HydrophobicContact CG2-CG 4.3Å
184L75Confident78.6Confident31 Ų3183.7 Ų83.716%0.16244%0.435CS..PPolyproline II helixtrans-58.9141.6175.8-123.7175.3000111.1V169 L173 Y178 Q182 S202V169-L184 HydrophobicContact CG1-CD1 4.22Å; V169-L184 HydrophobicContact CG1-CD2 3.96Å; V169-L184 HydrophobicContact CG2-CD2 4.43Å; L173-L184 HydrophobicContact CD1-CD1 4.35Å; L173-L184 HydrophobicContact CD2-CB 4.43Å; L173-L184 HydrophobicContact CD2-CD1 3.57Å; L173-L184 HydrophobicContact CG-CD1 3.67Å; Y178-L184 HydrophobicContact CD1-CD1 4.18Å; Y178-L184 HydrophobicContact CD2-CD1 4.05Å; Y178-L184 HydrophobicContact CE1-CB 3.58Å; Y178-L184 HydrophobicContact CE1-CD1 3.87Å; Y178-L184 HydrophobicContact CE1-CG 3.93Å; Y178-L184 HydrophobicContact CE2-CB 4.46Å; Y178-L184 HydrophobicContact CE2-CD1 3.72Å; Y178-L184 HydrophobicContact CE2-CG 3.91Å; Y178-L184 HydrophobicContact CG-CD1 4.28Å; Y178-L184 VanDerWaalsContact CZ-CG 3.46Å; Y178-L184 WeakPolarHBondContact OH-CA 3.47Å; Y178-L184 VanDerWaalsContact OH-CB 3.31Å; Y178-L184 WeakPolarHBondContact OH-CB 3.28Å; Y178-L184 WeakPolarHBondContact OH-CG 3.45Å; Y178-L184 PolarHBondContact OH-N 3.23Å; Y178-L184 VanDerWaalsContact OH-N 3.08Å; Q182-L184 PolarHBondContact O-N 3Å; L184-S202 PolarHBondContact O-OG 3.39Å
185Y86.7Confident79.5Confident43 Ų4377.6 Ų77.617%0.16941%0.406CS..PPolyproline II helixtrans-92.4119.8171.2158.3-118.5000108.9P187 Q199 C200 W212Y185-P187 HydrophobicContact CE1-CB 4.15Å; Y185-Q199 HydrophobicContact CE2-CB 4.09Å; Y185-Q199 WeakPolarHBondContact OH-CG 3.4Å; Y185-Q199 PolarHBondContact OH-NE2 2.68Å; Y185-C200 WeakPolarHBondContact CD2-O 3.22Å; Y185-W212 AromaticContact CD2-CH2 3.64Å; Y185-W212 HydrophobicContact CD2-CH2 3.64Å; Y185-W212 HydrophobicContact CD2-CZ2 4.09Å; Y185-W212 HydrophobicContact CE1-CZ2 4.31Å; Y185-W212 AromaticContact CE2-CH2 3.65Å; Y185-W212 HydrophobicContact CE2-CH2 3.65Å; Y185-W212 AromaticContact CE2-CZ2 3.68Å; Y185-W212 HydrophobicContact CE2-CZ2 3.68Å; Y185-W212 HydrophobicContact CG-CH2 4.22Å; Y185-W212 AromaticContact CZ-CZ2 3.79Å
186V92.4Very high80.5Confident62 Ų6280.9 Ų80.938%0.37641%0.411SS..PPolyproline II helixtrans-96.8117.4173.1-1800000108.3L166 V169 L173 N188L166-V186 HydrophobicContact CD1-CG1 3.5Å; V169-V186 HydrophobicContact CG1-CG2 4.28Å; L173-V186 HydrophobicContact CD1-CG2 4.26Å; V186-N188 PolarHBondContact O-N 2.96Å
187P94.9Very high81.9Confident3 Ų377.5 Ų77.52%0.01939%0.394CS..PPolyproline II helixtrans-72.4127.5-176.728.6-34.1000111.8H165 L166 Y185 Y195H165-P187 HydrophobicContact CB-CG 4.47Å; L166-P187 HydrophobicContact CB-CG 3.96Å; L166-P187 HydrophobicContact CD1-CG 4.2Å; Y185-P187 HydrophobicContact CE1-CB 4.15Å; P187-Y195 HydrophobicContact CB-CD1 4.44Å; P187-Y195 HydrophobicContact CB-CE1 3.95Å
188N95.4Very high83.2Confident67 Ų6778 Ų7836%0.35838%0.382SS..PPolyproline II helixtrans-82.5119174.8172.831.9000109.9V186 R196 R198 Q199V186-N188 PolarHBondContact O-N 2.96Å; N188-R196 PolarHBondContact O-N 3.1Å; N188-R196 WeakPolarHBondContact OD1-CD 3.08Å; N188-R198 PolarHBondContact ND2-O 3.15Å; N188-Q199 PolarHBondContact O-NE2 2.87Å; N188-Q199 PolarHBondContact O-OE1 3.17Å
189C96Very high84.6Confident22 Ų2276 Ų7615%0.14937%0.374CS..BIsolated β-bridgetrans-115.1157.7-173.6-49.80000112.4C162 F194 R196C162-C189 HydrophobicContact CB-CB 3.76Å; C162-C189 WeakPolarHBondContact CB-SG 3.48Å; C162-C189 PolarHBondContact O-SG 3.4Å; C162-C189 VanDerWaalsContact O-SG 3.37Å; C162-C189 WeakPolarHBondContact SG-CA 3.42Å; C162-C189 WeakPolarHBondContact SG-CB 3.38Å; C162-C189 CovalentContact SG-SG 2.04Å; C162-C189 PolarHBondContact SG-SG 2.98Å; C189-F194 CarbonylContact C-O 3.6Å; C189-F194 VanDerWaalsContact CA-O 3.25Å; C189-F194 WeakPolarHBondContact CA-O 3.49Å; C189-R196 WeakPolarHBondContact O-CD 3.26Å
190D94.1Very high86Confident41 Ų4168.3 Ų68.322%0.21935%0.351CS..  trans-85.9176.7168.374.712.7000112.2R192 G193 F194 R196D190-R192 PolarHBondContact O-N 3.21Å; D190-R192 VanDerWaalsContact O-N 3.17Å; D190-R192 WeakPolarHBondContact OD1-CA 3.42Å; D190-R192 WeakPolarHBondContact OD1-CB 3.49Å; D190-R192 PolarHBondContact OD1-N 3.42Å; D190-G193 PolarHBondContact O-N 3.29Å; D190-G193 PolarHBondContact OD1-N 3.28Å; D190-G193 VanDerWaalsContact OD1-N 3.12Å; D190-F194 PolarHBondContact N-O 2.84Å; D190-F194 PolarHBondContact OD1-N 3.18Å; D190-R196 HydrophobicContact CB-CG 4.15Å
191H92.1Very high87.5Confident184 Ų18471.2 Ų71.285%0.85234%0.34SS*.THydrogen-bonded Turntrans-67.8-9.4-179.264.1-95.9000113.9
192R91.1Very high88.8Confident151 Ų15169.3 Ų69.357%0.5732%0.321SS*.THydrogen-bonded Turntrans-101.46174.8-61.6-177.860.4176.5-3.5112.1D190 F194D190-R192 PolarHBondContact O-N 3.21Å; D190-R192 VanDerWaalsContact O-N 3.17Å; D190-R192 WeakPolarHBondContact OD1-CA 3.42Å; D190-R192 WeakPolarHBondContact OD1-CB 3.49Å; D190-R192 PolarHBondContact OD1-N 3.42Å; R192-F194 VanDerWaalsContact C-N 3.31Å; R192-F194 HydrophobicContact CB-CD2 3.76Å; R192-F194 HydrophobicContact CB-CE2 4.19Å; R192-F194 WeakPolarHBondContact O-CD2 3.29Å; R192-F194 PolarHBondContact O-N 3.45Å
193G94.9Very high89.8Confident4 Ų466.4 Ų66.44%0.04132%0.317CS..SBendtrans72.618-178.100000114.7G160 C162 R163 D190G160-G193 CarbonylContact C-O 3.52Å; G160-G193 WeakPolarHBondContact CA-O 3.4Å; C162-G193 WeakPolarHBondContact CA-O 3.4Å; C162-G193 WeakPolarHBondContact CB-O 3.49Å; C162-G193 PolarHBondContact N-O 3.38Å; R163-G193 PolarHBondContact N-O 3.27Å; D190-G193 PolarHBondContact O-N 3.29Å; D190-G193 PolarHBondContact OD1-N 3.28Å; D190-G193 VanDerWaalsContact OD1-N 3.12Å
194F96.2Very high90.6Very high53 Ų5370.7 Ų70.723%0.23233%0.333CS..PPolyproline II helixtrans-92.4163.5170.9-69.9-93000111P161 C162 C189 D190 R192 R216 M217P161-F194 HydrophobicContact CG-CD1 3.88Å; P161-F194 HydrophobicContact CG-CE1 4.03Å; C162-F194 WeakPolarHBondContact CB-O 3.43Å; C189-F194 CarbonylContact C-O 3.6Å; C189-F194 VanDerWaalsContact CA-O 3.25Å; C189-F194 WeakPolarHBondContact CA-O 3.49Å; D190-F194 PolarHBondContact N-O 2.84Å; D190-F194 PolarHBondContact OD1-N 3.18Å; R192-F194 VanDerWaalsContact C-N 3.31Å; R192-F194 HydrophobicContact CB-CD2 3.76Å; R192-F194 HydrophobicContact CB-CE2 4.19Å; R192-F194 WeakPolarHBondContact O-CD2 3.29Å; R192-F194 PolarHBondContact O-N 3.45Å; F194-R216 HydrophobicContact CB-CB 4.32Å; F194-R216 HydrophobicContact CD1-CB 4.15Å; F194-M217 HydrophobicContact CD1-SD 3.95Å; F194-M217 HydrophobicContact CE1-SD 4.02Å
195Y95.6Very high90.9Very high26 Ų2672.5 Ų72.510%0.10236%0.359CS..BIsolated β-bridgetrans-73.2136.5179.8-68.4-95.8000110.3P161 C162 H165 P187 R216 M217 G218P161-Y195 HydrophobicContact CB-CE2 4.38Å; C162-Y195 VanDerWaalsContact CA-CE2 3.48Å; C162-Y195 HydrophobicContact CB-CD1 3.83Å; C162-Y195 HydrophobicContact CB-CD2 3.53Å; C162-Y195 HydrophobicContact CB-CE1 3.98Å; C162-Y195 HydrophobicContact CB-CE2 3.71Å; C162-Y195 HydrophobicContact CB-CG 3.61Å; C162-Y195 WeakPolarHBondContact SG-CD1 3.34Å; H165-Y195 WeakPolarHBondContact CB-OH 3.44Å; H165-Y195 AromaticContact ND1-CE1 3.93Å; H165-Y195 AromaticContact ND1-CZ 3.82Å; H165-Y195 PolarHBondContact ND1-OH 3.34Å; P187-Y195 HydrophobicContact CB-CD1 4.44Å; P187-Y195 HydrophobicContact CB-CE1 3.95Å; Y195-R216 WeakPolarHBondContact CD2-O 3.15Å; Y195-R216 PolarHBondContact N-O 2.96Å; Y195-M217 WeakPolarHBondContact CD2-O 3.34Å; Y195-M217 VanDerWaalsContact CE2-O 3.22Å; Y195-M217 WeakPolarHBondContact CE2-O 3.2Å; Y195-G218 VanDerWaalsContact CG-CA 3.45Å
196R94.4Very high90.6Very high136 Ų13680 Ų8051%0.51340%0.396SS..PPolyproline II helixtrans-74.2146.9171.1-68.9-178.6119.7169.5-1.3109.5N188 C189 D190 R198 Q199 V214N188-R196 PolarHBondContact O-N 3.1Å; N188-R196 WeakPolarHBondContact OD1-CD 3.08Å; C189-R196 WeakPolarHBondContact O-CD 3.26Å; D190-R196 HydrophobicContact CB-CG 4.15Å; R196-R198 PolarHBondContact O-N 3.13Å; R196-Q199 PolarHBondContact O-OE1 2.93Å; R196-V214 WeakPolarHBondContact O-CG2 3.49Å
197K91.9Very high90Very high70 Ų7086.9 Ų86.930%0.30442%0.415SS..SBendtrans-54.4-19.6-176.9-86.6-163.2167.8-166.20115.5C213 V214 C233 P234 T235 G236K197-C213 CarbonylContact O-C 3.58Å; K197-C213 WeakPolarHBondContact O-CA 3.13Å; K197-V214 PolarHBondContact O-N 2.89Å; K197-C233 HydrophobicContact CB-CB 4.23Å; K197-C233 PolarHBondContact O-SG 2.71Å; K197-P234 PolarHBondContact NZ-O 3.16Å; K197-T235 VanDerWaalsContact NZ-C 3.34Å; K197-T235 PolarHBondContact NZ-O 3.16Å; K197-G236 PolarHBondContact NZ-O 3.2Å
198R90.9Very high89.5Confident136 Ų13696.3 Ų96.351%0.51345%0.45SS..EExtended strand (participates in β ladder)trans-127.9111.2-179.7-174.5175.262-154.3-3.7111N188 R196 C211N188-R198 PolarHBondContact ND2-O 3.15Å; R196-R198 PolarHBondContact O-N 3.13Å; R198-C211 HydrophobicContact CG-CB 4.36Å
199Q92.5Very high88.9Confident0 Ų093.6 Ų93.60%044%0.438CS..EExtended strand (participates in β ladder)trans-101.5155.7174.7-54.8-568100109.7Y185 N188 R196 C211 W212 V214Y185-Q199 HydrophobicContact CE2-CB 4.09Å; Y185-Q199 WeakPolarHBondContact OH-CG 3.4Å; Y185-Q199 PolarHBondContact OH-NE2 2.68Å; N188-Q199 PolarHBondContact O-NE2 2.87Å; N188-Q199 PolarHBondContact O-OE1 3.17Å; R196-Q199 PolarHBondContact O-OE1 2.93Å; Q199-C211 CarbonylContact O-C 3.5Å; Q199-C211 WeakPolarHBondContact O-CA 3.47Å; Q199-C211 VanDerWaalsContact O-CB 3.26Å; Q199-C211 WeakPolarHBondContact O-CB 3.42Å; Q199-W212 HydrophobicContact CB-CD2 4.24Å; Q199-W212 HydrophobicContact CB-CH2 4.3Å; Q199-W212 HydrophobicContact CB-CZ2 3.71Å; Q199-W212 PolarHBondContact N-O 3Å; Q199-W212 PolarHBondContact O-N 3.48Å; Q199-V214 HydrophobicContact CG-CG1 3.99Å; Q199-V214 HydrophobicContact CG-CG2 3.63Å
200C90Very high88.4Confident43 Ų4395.4 Ų95.429%0.29145%0.45SS..EExtended strand (participates in β ladder)trans-140.3147.2178.1-60.90000110.1Y185 P210 C211Y185-C200 WeakPolarHBondContact CD2-O 3.22Å; C200-P210 WeakPolarHBondContact CA-O 3.46Å; C200-C211 HydrophobicContact CB-CB 4.05Å; C200-C211 WeakPolarHBondContact CB-SG 3.45Å; C200-C211 WeakPolarHBondContact SG-CB 3.43Å; C200-C211 CovalentContact SG-SG 2.04Å; C200-C211 PolarHBondContact SG-SG 3.45Å
201R88.2Confident88.2Confident133 Ų13394.9 Ų94.950%0.50245%0.449SS..PPolyproline II helixtrans-78.7151.8166.1-105.6176.7156.4178.4-6.9110.5G209 P210 W212R201-G209 WeakPolarHBondContact O-CA 3.35Å; R201-P210 HydrophobicContact CB-CG 4.26Å; R201-P210 PolarHBondContact N-O 3.49Å; R201-W212 HydrophobicContact CB-CZ3 4.17Å; R201-W212 HydrophobicContact CG-CH2 4.18Å; R201-W212 HydrophobicContact CG-CZ3 4.03Å
202S84.1Confident88.1Confident52 Ų5288.2 Ų88.236%0.36442%0.416SS..PPolyproline II helixtrans-56.1145.2171.9-560000111.1L184L184-S202 PolarHBondContact O-OG 3.39Å
203S83.3Confident88.1Confident81 Ų8181.6 Ų81.657%0.56639%0.393SS*.PPolyproline II helixtrans-65.3140.9176.145.50000111.9R207S203-R207 CarbonylContact C-O 3.55Å; S203-R207 VanDerWaalsContact CA-O 3.3Å; S203-R207 WeakPolarHBondContact CA-O 3.37Å; S203-R207 WeakPolarHBondContact CB-O 3.3Å
204Q82Confident88Confident146 Ų14681.5 Ų81.568%0.68239%0.391SS*.BIsolated β-bridgetrans-10999.1175.4-169.1171.9-2.500108.7T183 Q206 R207T183-Q204 HydrophobicContact CG2-CB 4.37Å; T183-Q204 HydrophobicContact CG2-CG 4.3Å; Q204-Q206 PolarHBondContact O-N 2.72Å; Q204-R207 PolarHBondContact N-O 3.42Å; Q204-R207 PolarHBondContact O-N 3.08Å
205G81.5Confident87.8Confident70 Ų7080.6 Ų80.672%0.72239%0.389SS*.THydrogen-bonded Turntrans57.6-130.8-169.100000111.4R207G205-R207 PolarHBondContact O-N 3.35Å
206Q80.4Confident87.7Confident199 Ų19985.4 Ų85.493%0.9341%0.407SS*.THydrogen-bonded Turntrans-70.9-10.5179.9-66.6-66.2-44.800114.4Q204Q204-Q206 PolarHBondContact O-N 2.72Å
207R81.6Confident87.7Confident207 Ų20783.8 Ų83.878%0.78141%0.407SS*.BIsolated β-bridgetrans-93.7120.4-178.7-62.6-168.573.7173.21.9111.2S203 Q204 G205 G209S203-R207 CarbonylContact C-O 3.55Å; S203-R207 VanDerWaalsContact CA-O 3.3Å; S203-R207 WeakPolarHBondContact CA-O 3.37Å; S203-R207 WeakPolarHBondContact CB-O 3.3Å; Q204-R207 PolarHBondContact N-O 3.42Å; Q204-R207 PolarHBondContact O-N 3.08Å; G205-R207 PolarHBondContact O-N 3.35Å; R207-G209 PolarHBondContact O-N 2.81Å
208R82.6Confident87.7Confident201 Ų20181.6 Ų81.676%0.75840%0.404SS*.PPolyproline II helixtrans-54.4130.9166-176178.9-179.6162.83.8109.3
209G83.8Confident87.8Confident10 Ų1082 Ų8210%0.10341%0.41CS..PPolyproline II helixtrans-67.1153.7177.500000112R201 R207R201-G209 WeakPolarHBondContact O-CA 3.35Å; R207-G209 PolarHBondContact O-N 2.81Å
210P86.1Confident87.6Confident61 Ų6186.6 Ų86.640%0.39644%0.439SS..PPolyproline II helixtrans-62.4148.8178.527.1-35000111.1C200 R201C200-P210 WeakPolarHBondContact CA-O 3.46Å; R201-P210 HydrophobicContact CB-CG 4.26Å; R201-P210 PolarHBondContact N-O 3.49Å
211C88.4Confident87.5Confident29 Ų2985.8 Ų85.820%0.19643%0.432CS..EExtended strand (participates in β ladder)trans-119.2144.7173.6-56.40000109.9R198 Q199 C200R198-C211 HydrophobicContact CG-CB 4.36Å; Q199-C211 CarbonylContact O-C 3.5Å; Q199-C211 WeakPolarHBondContact O-CA 3.47Å; Q199-C211 VanDerWaalsContact O-CB 3.26Å; Q199-C211 WeakPolarHBondContact O-CB 3.42Å; C200-C211 HydrophobicContact CB-CB 4.05Å; C200-C211 WeakPolarHBondContact CB-SG 3.45Å; C200-C211 WeakPolarHBondContact SG-CB 3.43Å; C200-C211 CovalentContact SG-SG 2.04Å; C200-C211 PolarHBondContact SG-SG 3.45Å
212W90Very high87Confident44 Ų4485.5 Ų85.517%0.16745%0.447CS..EExtended strand (participates in β ladder)trans-135.7166.1179.664.298.3000110.1Y185 Q199 R201Y185-W212 AromaticContact CD2-CH2 3.64Å; Y185-W212 HydrophobicContact CD2-CH2 3.64Å; Y185-W212 HydrophobicContact CD2-CZ2 4.09Å; Y185-W212 HydrophobicContact CE1-CZ2 4.31Å; Y185-W212 AromaticContact CE2-CH2 3.65Å; Y185-W212 HydrophobicContact CE2-CH2 3.65Å; Y185-W212 AromaticContact CE2-CZ2 3.68Å; Y185-W212 HydrophobicContact CE2-CZ2 3.68Å; Y185-W212 HydrophobicContact CG-CH2 4.22Å; Y185-W212 AromaticContact CZ-CZ2 3.79Å; Q199-W212 HydrophobicContact CB-CD2 4.24Å; Q199-W212 HydrophobicContact CB-CH2 4.3Å; Q199-W212 HydrophobicContact CB-CZ2 3.71Å; Q199-W212 PolarHBondContact N-O 3Å; Q199-W212 PolarHBondContact O-N 3.48Å; R201-W212 HydrophobicContact CB-CZ3 4.17Å; R201-W212 HydrophobicContact CG-CH2 4.18Å; R201-W212 HydrophobicContact CG-CZ3 4.03Å
213C91.7Very high86.2Confident13 Ų1387 Ų879%0.08847%0.47CS..EExtended strand (participates in β ladder)trans-101.8144.6-179.7-58.80000111.8K197 P220 L221 S224 C233K197-C213 CarbonylContact O-C 3.58Å; K197-C213 WeakPolarHBondContact O-CA 3.13Å; C213-P220 WeakPolarHBondContact O-CA 3.38Å; C213-L221 HydrophobicContact CB-CB 4.3Å; C213-L221 HydrophobicContact CB-CD1 4.03Å; C213-L221 HydrophobicContact CB-CG 4.34Å; C213-L221 PolarHBondContact O-N 3.44Å; C213-S224 PolarHBondContact N-OG 3.45Å; C213-C233 HydrophobicContact CB-CB 3.71Å; C213-C233 WeakPolarHBondContact CB-SG 3.42Å; C213-C233 WeakPolarHBondContact SG-CA 3.5Å; C213-C233 WeakPolarHBondContact SG-CB 3.37Å; C213-C233 CovalentContact SG-SG 2.04Å; C213-C233 PolarHBondContact SG-SG 3.42Å
214V92.8Very high85.1Confident1 Ų184.5 Ų84.51%0.00645%0.453CS..BIsolated β-bridgetrans-136.5160.9-179.5-60.40000112.9R196 K197 Q199 K219R196-V214 WeakPolarHBondContact O-CG2 3.49Å; K197-V214 PolarHBondContact O-N 2.89Å; Q199-V214 HydrophobicContact CG-CG1 3.99Å; Q199-V214 HydrophobicContact CG-CG2 3.63Å; V214-K219 CarbonylContact C-O 3.5Å; V214-K219 WeakPolarHBondContact CA-O 3.4Å; V214-K219 WeakPolarHBondContact CB-O 3.06Å
215D92.4Very high84.1Confident35 Ų3581.3 Ų81.319%0.18745%0.445CS..  trans-74.2177.3162.975.46.9000112.1M217 G218 K219 L221D215-M217 PolarHBondContact O-N 3.14Å; D215-M217 VanDerWaalsContact O-N 3.11Å; D215-M217 VanDerWaalsContact OD1-C 3.22Å; D215-M217 VanDerWaalsContact OD1-CA 3.28Å; D215-M217 WeakPolarHBondContact OD1-CA 3.33Å; D215-M217 WeakPolarHBondContact OD1-CB 3.31Å; D215-M217 PolarHBondContact OD1-N 3.33Å; D215-G218 PolarHBondContact O-N 3.44Å; D215-G218 VanDerWaalsContact O-N 3.11Å; D215-G218 PolarHBondContact OD1-N 3.48Å; D215-K219 PolarHBondContact N-O 3.35Å; D215-K219 PolarHBondContact OD1-N 3.18Å; D215-L221 HydrophobicContact CB-CD2 4.14Å
216R93Very high83Confident126 Ų12684.6 Ų84.648%0.47545%0.446SS..THydrogen-bonded Turntrans-62-16.4178.1-67.8-177.4-176.4-124.97.9114F194 Y195F194-R216 HydrophobicContact CB-CB 4.32Å; F194-R216 HydrophobicContact CD1-CB 4.15Å; Y195-R216 WeakPolarHBondContact CD2-O 3.15Å; Y195-R216 PolarHBondContact N-O 2.96Å
217M94Very high81.8Confident103 Ų10377.3 Ų77.351%0.50743%0.425SS..THydrogen-bonded Turntrans-102.31.8-178.9-8656.967.200112.3F194 Y195 D215F194-M217 HydrophobicContact CD1-SD 3.95Å; F194-M217 HydrophobicContact CE1-SD 4.02Å; Y195-M217 WeakPolarHBondContact CD2-O 3.34Å; Y195-M217 VanDerWaalsContact CE2-O 3.22Å; Y195-M217 WeakPolarHBondContact CE2-O 3.2Å; D215-M217 PolarHBondContact O-N 3.14Å; D215-M217 VanDerWaalsContact O-N 3.11Å; D215-M217 VanDerWaalsContact OD1-C 3.22Å; D215-M217 VanDerWaalsContact OD1-CA 3.28Å; D215-M217 WeakPolarHBondContact OD1-CA 3.33Å; D215-M217 WeakPolarHBondContact OD1-CB 3.31Å; D215-M217 PolarHBondContact OD1-N 3.33Å
218G92.6Very high80.3Confident24 Ų2473.4 Ų73.425%0.24742%0.419CS..SBendtrans88.75.8174.900000114.6Y195 D215Y195-G218 VanDerWaalsContact CG-CA 3.45Å; D215-G218 PolarHBondContact O-N 3.44Å; D215-G218 VanDerWaalsContact O-N 3.11Å; D215-G218 PolarHBondContact OD1-N 3.48Å
219K92.6Very high78.9Confident145 Ų14567.8 Ų67.863%0.6342%0.423SS*.PPolyproline II helixtrans-74132.1175.4-61.2-175.9176.3179.20109.9V214 D215V214-K219 CarbonylContact C-O 3.5Å; V214-K219 WeakPolarHBondContact CA-O 3.4Å; V214-K219 WeakPolarHBondContact CB-O 3.06Å; D215-K219 PolarHBondContact N-O 3.35Å; D215-K219 PolarHBondContact OD1-N 3.18Å
220P89.6Confident77.4Confident96 Ų9672 Ų7262%0.62345%0.451SS*.BIsolated β-bridgetrans-56.6139175.2-26.235.4000112.9C213C213-P220 WeakPolarHBondContact O-CA 3.38Å
221L87Confident76.2Confident26 Ų2673.3 Ų73.314%0.13646%0.462CS..PPolyproline II helixtrans-81.2137.7175.2-62.2-177.6000110.6C213 D215 G223 S224 P234C213-L221 HydrophobicContact CB-CB 4.3Å; C213-L221 HydrophobicContact CB-CD1 4.03Å; C213-L221 HydrophobicContact CB-CG 4.34Å; C213-L221 PolarHBondContact O-N 3.44Å; D215-L221 HydrophobicContact CB-CD2 4.14Å; L221-G223 PolarHBondContact O-N 3.32Å; L221-S224 PolarHBondContact O-N 3.4Å; L221-S224 PolarHBondContact O-OG 3.07Å; L221-P234 HydrophobicContact CD1-CG 4.1Å
222P76.7Confident75.4Confident126 Ų12677 Ų7782%0.81849%0.488SS*.THydrogen-bonded Turntrans-62.2136.7177.226.8-34.3000110.7S224P222-S224 PolarHBondContact O-N 3.03Å
223G67.3Low75Confident83 Ų8375.7 Ų75.786%0.85649%0.486SS*.THydrogen-bonded Turntrans80.82.9176.100000116.4L221 P225L221-G223 PolarHBondContact O-N 3.32Å; G223-P225 WeakPolarHBondContact O-CD 3.31Å
224S60.7Low74.2Confident29 Ų2978.5 Ų78.520%0.20350%0.504CS..  trans-77.6116.7166.472.10000109.9C213 L221 P222C213-S224 PolarHBondContact N-OG 3.45Å; L221-S224 PolarHBondContact O-N 3.4Å; L221-S224 PolarHBondContact O-OG 3.07Å; P222-S224 PolarHBondContact O-N 3.03Å
225P60.6Low72.9Confident80 Ų8085 Ų8552%0.51954%0.543SS..  trans-72.9140.3-17829.9-34.9000111.4G223 G227G223-P225 WeakPolarHBondContact O-CD 3.31Å; P225-G227 PolarHBondContact O-N 3.5Å
226D58.3Low71.5Confident139 Ų13985.6 Ų85.674%0.74356%0.558SS**THydrogen-bonded Turntrans-67.491.3175.1-77-59.7000111.8
227G55.8Low69.3Low46 Ų4684.9 Ų84.947%0.47457%0.572SS.*THydrogen-bonded Turntrans95.428.2158.100000118.4P225P225-G227 PolarHBondContact O-N 3.5Å
228N51.2Low67.2Low125 Ų12583.9 Ų83.967%0.66858%0.575SS**  trans-95.8130.3157.1-162.77000111.1S230N228-S230 VanDerWaalsContact C-N 3.32Å; N228-S230 PolarHBondContact O-N 3.32Å
229G53.3Low64.6Low82 Ų8290 Ų9085%0.84564%0.638SS**SBendtrans-82.111.5-159.900000117.2
230S50.8Low63.2Low99 Ų9987.2 Ų87.269%0.69264%0.639SS**  trans-139.750.3-162.456.60000115.3N228N228-S230 VanDerWaalsContact C-N 3.32Å; N228-S230 PolarHBondContact O-N 3.32Å
231S60.9Low61.8Low88 Ų8886.7 Ų86.762%0.61564%0.639SS**  trans-146.7142.6155.952.80000111.7
232S72.9Confident60.4Low106 Ų10690.1 Ų90.174%0.74167%0.667SS**PPolyproline II helixtrans-70.8137.1172-68.10000109.5
233C80.1Confident59.4Low18 Ų1888 Ų8812%0.12266%0.658CS.*PPolyproline II helixtrans-56.7135.1175.9-67.60000110.5K197 C213 T235K197-C233 HydrophobicContact CB-CB 4.23Å; K197-C233 PolarHBondContact O-SG 2.71Å; C213-C233 HydrophobicContact CB-CB 3.71Å; C213-C233 WeakPolarHBondContact CB-SG 3.42Å; C213-C233 WeakPolarHBondContact SG-CA 3.5Å; C213-C233 WeakPolarHBondContact SG-CB 3.37Å; C213-C233 CovalentContact SG-SG 2.04Å; C213-C233 PolarHBondContact SG-SG 3.42Å; C233-T235 PolarHBondContact O-N 3.45Å
234P75Confident58.9Low72 Ų7288.3 Ų88.347%0.46865%0.646SS.*PPolyproline II helixtrans-57.5137.5-167.220.4-32.6000112K197 L221K197-P234 PolarHBondContact NZ-O 3.16Å; L221-P234 HydrophobicContact CD1-CG 4.1Å
235T65.8Low58.8Low137 Ų13792.3 Ų92.384%0.8468%0.676SS**SBendtrans-70.7-35.5-171.8-47.20000112.4K197 C233K197-T235 VanDerWaalsContact NZ-C 3.34Å; K197-T235 PolarHBondContact NZ-O 3.16Å; C233-T235 PolarHBondContact O-N 3.45Å
236G62.6Low58.7Low48 Ų4893.1 Ų93.150%0.49569%0.687SS.*  trans-74.5-175.2-179.500000115.7K197K197-G236 PolarHBondContact NZ-O 3.2Å
237S48.5Very low58.7Low111 Ų11189.6 Ų89.678%0.77668%0.682SS**  trans57.761.7176.1-56.60000115.6
238S49.5Very low59Low81 Ų8193.3 Ų93.357%0.56670%0.7SS**  trans-115.699.5138.3-60.90000106.2
239G37.2Very low59.7Low152 Ų15290.4 Ų90.4100%1.56770%0.703SS**  trans-94.20165.100000110.1

Retrieved 239 of 239 residues in 1103.1 ms (Link to these results)