A0A093HP11_STRCA Loading...

Follistatin

AlphaFold DB , UniProt , Accession A0A093HP11, Species STRCA (Struthio camelus australis), Gene n/a, Length 343 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
1M46Very low49.7Very low242 Ų242150.2 Ų150.2100%1.19275%0.746SS**  099.30-69.2-175.1174.400107.9
2L34.9Very low50.4Low183 Ų183147.5 Ų147.596%0.95874%0.735SS**  trans-121.4121.1173.1-120.488.2000110.2
3N39.3Very low51Low151 Ų151145.2 Ų145.281%0.80773%0.726SS**  trans-65.7119.4-173.1-155.30.7000109.8R5N3-R5 PolarHBondContact O-N 3.01Å
4R47.6Very low51.5Low240 Ų240142.1 Ų142.191%0.90671%0.712SS**  trans-74.387.8-177-152.8178.6-170.4-165.72.8109V6R4-V6 PolarHBondContact O-N 3.22Å
5R52.3Low52.1Low227 Ų227140.2 Ų140.286%0.85770%0.702SS**  trans-65.2109.6169.4-80.8-177.8177.8176.6-0.6108.8N3 H7N3-R5 PolarHBondContact O-N 3.01Å; R5-H7 PolarHBondContact O-N 3.13Å
6V52.1Low52.4Low99 Ų99140.1 Ų140.160%0.670%0.696SS**  trans-66.4117.7163.51800000107R4 L11R4-V6 PolarHBondContact O-N 3.22Å; V6-L11 HydrophobicContact CG1-CD1 3.92Å
7H50.7Low52.5Low140 Ų140137.9 Ų137.965%0.64869%0.687SS**  trans-71.3132.5178.3-98.9-25.7000110.5R5 G9 M10R5-H7 PolarHBondContact O-N 3.13Å; H7-G9 PolarHBondContact O-N 3.07Å; H7-G9 VanDerWaalsContact O-N 3.12Å; H7-M10 PolarHBondContact O-N 2.93Å
8P55.1Low52.6Low99 Ų99135.1 Ų135.164%0.64368%0.682SS**Hα-helixtrans-58.2-28178.2-8.412.6000113M10 L12P8-M10 VanDerWaalsContact C-N 3.32Å; P8-M10 PolarHBondContact O-N 3.37Å; P8-L12 PolarHBondContact O-N 3.29Å
9G55.6Low52.5Low42 Ų42136.1 Ų136.143%0.43368%0.683SS.*Hα-helixtrans-68-25.2177.100000114.5H7 L13H7-G9 PolarHBondContact O-N 3.07Å; H7-G9 VanDerWaalsContact O-N 3.12Å; G9-L13 WeakPolarHBondContact O-CB 3.24Å; G9-L13 PolarHBondContact O-N 3.45Å
10M56.7Low52.3Low122 Ų122137.2 Ų137.260%0.60168%0.684SS**Hα-helixtrans-79.7-31.1180-159.4168.981.600111.9H7 P8 L14H7-M10 PolarHBondContact O-N 2.93Å; P8-M10 VanDerWaalsContact C-N 3.32Å; P8-M10 PolarHBondContact O-N 3.37Å; M10-L14 PolarHBondContact O-N 2.99Å
11L57.1Low52Low107 Ų107138 Ų13856%0.5669%0.687SS**Hα-helixtrans-70.1-40.1169.5-114.492.7000111.4V6 L14 M15V6-L11 HydrophobicContact CG1-CD1 3.92Å; L11-L14 PolarHBondContact O-N 3.17Å; L11-M15 WeakPolarHBondContact O-CB 3.41Å; L11-M15 WeakPolarHBondContact O-CG 3.38Å; L11-M15 PolarHBondContact O-N 2.62Å
12L57.9Low51.9Low118 Ų118133.1 Ų133.162%0.61867%0.666SS**Hα-helixtrans-65.6-37.7176.6-81.8158.4000112.1P8 M15 F16P8-L12 PolarHBondContact O-N 3.29Å; L12-M15 PolarHBondContact O-N 3.47Å; L12-F16 WeakPolarHBondContact O-CB 3.03Å; L12-F16 PolarHBondContact O-N 2.72Å
13L58.5Low52.3Low118 Ų118130.6 Ų130.662%0.61865%0.653SS**Hα-helixtrans-67.6-38.4175.6-128.4112.6000112.7G9 F16 L17G9-L13 WeakPolarHBondContact O-CB 3.24Å; G9-L13 PolarHBondContact O-N 3.45Å; L13-F16 PolarHBondContact O-N 3.18Å; L13-L17 HydrophobicContact CD2-CD1 4.27Å; L13-L17 WeakPolarHBondContact O-CB 3.34Å; L13-L17 WeakPolarHBondContact O-CD1 3.5Å; L13-L17 WeakPolarHBondContact O-CG 3.49Å; L13-L17 PolarHBondContact O-N 2.91Å
14L57.5Low52.5Low102 Ų102131.5 Ų131.553%0.53465%0.653SS.*Hα-helixtrans-68.5-38.6174.1-81.8161.3000111.8M10 L11 L17 C18M10-L14 PolarHBondContact O-N 2.99Å; L11-L14 PolarHBondContact O-N 3.17Å; L14-L17 PolarHBondContact O-N 2.97Å; L14-C18 WeakPolarHBondContact O-CB 3.41Å; L14-C18 PolarHBondContact O-N 2.03Å; L14-C18 PolarHBondContact O-SG 3.19Å
15M60.2Low52.6Low113 Ų113125 Ų12556%0.55764%0.64SS**Hα-helixtrans-67.9-35.6173.4-68.2-79.3-76.300111.9L11 L12 C18 H19L11-M15 WeakPolarHBondContact O-CB 3.41Å; L11-M15 WeakPolarHBondContact O-CG 3.38Å; L11-M15 PolarHBondContact O-N 2.62Å; L12-M15 PolarHBondContact O-N 3.47Å; M15-C18 PolarHBondContact O-N 3.45Å; M15-H19 PolarHBondContact O-CD2 2.95Å; M15-H19 PolarHBondContact O-N 2.94Å
16F56.9Low52.8Low139 Ų139118.8 Ų118.861%0.6163%0.627SS**Hα-helixtrans-70.3-37.3174.7-135.5-96.8000112.2L12 L13 H19 F20L12-F16 WeakPolarHBondContact O-CB 3.03Å; L12-F16 PolarHBondContact O-N 2.72Å; L13-F16 PolarHBondContact O-N 3.18Å; F16-H19 PolarHBondContact O-N 3.34Å; F16-F20 HydrophobicContact CD1-CD2 4.05Å; F16-F20 HydrophobicContact CD1-CE2 4.16Å; F16-F20 HydrophobicContact CE1-CD2 4.2Å; F16-F20 AromaticContact CE1-CE2 3.84Å; F16-F20 HydrophobicContact CE1-CE2 3.84Å; F16-F20 PolarHBondContact O-N 3.2Å; F16-F20 VanDerWaalsContact O-N 3.09Å
17L54.8Low53.2Low103 Ų103119.6 Ų119.654%0.53962%0.624SS.*Hα-helixtrans-69.9-36.2173.4-79160.8000112L13 L14 H19 F20 M21L13-L17 HydrophobicContact CD2-CD1 4.27Å; L13-L17 WeakPolarHBondContact O-CB 3.34Å; L13-L17 WeakPolarHBondContact O-CD1 3.5Å; L13-L17 WeakPolarHBondContact O-CG 3.49Å; L13-L17 PolarHBondContact O-N 2.91Å; L14-L17 PolarHBondContact O-N 2.97Å; L17-H19 VanDerWaalsContact C-N 3.32Å; L17-F20 PolarHBondContact O-N 3.15Å; L17-M21 PolarHBondContact O-N 3.29Å; L17-M21 VanDerWaalsContact O-N 3.1Å
18C54.5Low54.7Low87 Ų87114.9 Ų114.959%0.58861%0.609SS**Hα-helixtrans-69.1-27.6171.6-71.90000113L14 M15L14-C18 WeakPolarHBondContact O-CB 3.41Å; L14-C18 PolarHBondContact O-N 2.03Å; L14-C18 PolarHBondContact O-SG 3.19Å; M15-C18 PolarHBondContact O-N 3.45Å
19H50.3Low56.4Low153 Ų153110.2 Ų110.271%0.70858%0.579SS**Hα-helixtrans-80.4-16.1171.7-81.9-58.3000113.9M15 F16 L17M15-H19 PolarHBondContact O-CD2 2.95Å; M15-H19 PolarHBondContact O-N 2.94Å; F16-H19 PolarHBondContact O-N 3.34Å; L17-H19 VanDerWaalsContact C-N 3.32Å
20F48.3Very low58.2Low159 Ų159108.7 Ų108.770%0.69756%0.561SS**Hα-helixtrans-97-9.6175.4-104.4-85.4000114F16 L17 D22F16-F20 HydrophobicContact CD1-CD2 4.05Å; F16-F20 HydrophobicContact CD1-CE2 4.16Å; F16-F20 HydrophobicContact CE1-CD2 4.2Å; F16-F20 AromaticContact CE1-CE2 3.84Å; F16-F20 HydrophobicContact CE1-CE2 3.84Å; F16-F20 PolarHBondContact O-N 3.2Å; F16-F20 VanDerWaalsContact O-N 3.09Å; L17-F20 PolarHBondContact O-N 3.15Å; F20-D22 PolarHBondContact O-N 3.33Å
21M45.8Very low60.1Low153 Ų153103 Ų10375%0.75453%0.533SS*.  trans-77.471.7158.3-66-172.374.800107.5L17 D23L17-M21 PolarHBondContact O-N 3.29Å; L17-M21 VanDerWaalsContact O-N 3.1Å; M21-D23 PolarHBondContact O-N 2.95Å
22D44.3Very low61.9Low140 Ų14097.9 Ų97.975%0.74951%0.506SS*.  trans-56.3110.4160.1-153.110000105.1F20 Q24F20-D22 PolarHBondContact O-N 3.33Å; D22-Q24 PolarHBondContact O-N 3.25Å
23D42Very low63.8Low130 Ų13094.4 Ų94.470%0.69549%0.488SS*.  trans-63.287.1178.9-161.515.8000105.7M21 T25M21-D23 PolarHBondContact O-N 2.95Å; D23-T25 PolarHBondContact O-N 2.87Å
24Q44.6Very low65.5Low171 Ų17194.8 Ų94.880%0.79948%0.481SS*.  trans-66.378.4162.6-74.5-147.9-11.200106D22 V26D22-Q24 PolarHBondContact O-N 3.25Å; Q24-V26 PolarHBondContact O-N 2.99Å
25T50.3Low67.3Low102 Ų10292.4 Ų92.463%0.62647%0.467SS*.  trans-55.395.6160.647.50000105.3D23 Q27D23-T25 PolarHBondContact O-N 2.87Å; T25-Q27 PolarHBondContact O-N 3.28Å
26V55.7Low68.9Low98 Ų9887.9 Ų87.959%0.59445%0.448SS*.  trans-59.5107.2171177.90000104.7Q24 A28Q24-V26 PolarHBondContact O-N 2.99Å; V26-A28 VanDerWaalsContact C-N 3.33Å; V26-A28 PolarHBondContact O-N 3.37Å
27Q61.2Low70.5Confident115 Ų11592 Ų9254%0.53747%0.466SS..  trans-5898.3177.7-87.4165.4-35.400108.4T25 G29 S50 E66T25-Q27 PolarHBondContact O-N 3.28Å; Q27-G29 PolarHBondContact O-N 2.9Å; Q27-S50 WeakPolarHBondContact O-CA 3.41Å; Q27-E66 PolarHBondContact NE2-OE1 3.21Å
28A80.6Confident72.3Confident41 Ų4191.4 Ų91.434%0.33946%0.463SS..  trans-80101.8179.700000108.2V26V26-A28 VanDerWaalsContact C-N 3.33Å; V26-A28 PolarHBondContact O-N 3.37Å
29G91.1Very high74.2Confident1 Ų188.6 Ų88.61%0.0145%0.449CS..EExtended strand (participates in β ladder)trans-106.4-171.3177.900000112.7Q27 D48 L49 T65Q27-G29 PolarHBondContact O-N 2.9Å; G29-D48 PolarHBondContact O-N 3.13Å; G29-L49 CarbonylContact C-O 3Å; G29-L49 WeakPolarHBondContact CA-O 3.4Å; G29-L49 PolarHBondContact N-O 3.11Å; G29-L49 PolarHBondContact O-N 3.36Å; G29-T65 CarbonylContact C-O 3.42Å; G29-T65 VanDerWaalsContact CA-O 3.22Å; G29-T65 WeakPolarHBondContact CA-O 3.39Å
30K94.3Very high76.4Confident10 Ų1084.8 Ų84.84%0.04343%0.428CS..EExtended strand (participates in β ladder)trans-112.9136.8178.3-57.2-170.8-160.6-66.90110.8W32 L44 T47 W64 T65 D68 V69 L74K30-W32 HydrophobicContact CB-CZ2 4.19Å; K30-W32 PolarHBondContact O-NE1 2.95Å; K30-L44 HydrophobicContact CB-CD1 3.81Å; K30-L44 HydrophobicContact CD-CD1 4.15Å; K30-L44 HydrophobicContact CG-CD1 4.38Å; K30-T47 HydrophobicContact CD-CG2 4.21Å; K30-T47 HydrophobicContact CG-CG2 4.24Å; K30-W64 WeakPolarHBondContact O-CA 3.44Å; K30-T65 PolarHBondContact N-O 2.04Å; K30-T65 PolarHBondContact O-N 2.78Å; K30-D68 IonicContact NZ-OD1 3.59Å; K30-V69 PolarHBondContact NZ-O 3.2Å; K30-L74 HydrophobicContact CD-CD1 4.03Å; K30-L74 HydrophobicContact CD-CD2 4.14Å
31C95.7Very high78.7Confident2 Ų277.2 Ų77.21%0.01440%0.395CS..EExtended strand (participates in β ladder)trans-103.9136.4-179-164.90000110.9Y45 K46 L49 C54C31-Y45 WeakPolarHBondContact O-CB 3.38Å; C31-Y45 PolarHBondContact O-N 3.47Å; C31-K46 HydrophobicContact CB-CB 4.37Å; C31-K46 PolarHBondContact N-O 3.49Å; C31-K46 PolarHBondContact O-N 3.42Å; C31-L49 HydrophobicContact CB-CD1 4.03Å; C31-C54 WeakPolarHBondContact CA-SG 3.32Å; C31-C54 HydrophobicContact CB-CB 3.67Å; C31-C54 WeakPolarHBondContact CB-SG 3.44Å; C31-C54 VanDerWaalsContact SG-CA 3.52Å; C31-C54 WeakPolarHBondContact SG-CB 2.99Å; C31-C54 CovalentContact SG-SG 2.04Å; C31-C54 PolarHBondContact SG-SG 3.01Å
32W96.3Very high81Confident0 Ų071.7 Ų71.70%037%0.368CS..EExtended strand (participates in β ladder)trans-128143.8-168.2-54.789.5000111.2K30 C41 L44 T62 S63 T65 L74 M78 A84K30-W32 HydrophobicContact CB-CZ2 4.19Å; K30-W32 PolarHBondContact O-NE1 2.95Å; W32-C41 HydrophobicContact CB-CB 3.99Å; W32-C41 HydrophobicContact CD2-CB 3.6Å; W32-C41 HydrophobicContact CE3-CB 4.2Å; W32-C41 HydrophobicContact CG-CB 3.48Å; W32-C41 VanDerWaalsContact CG-CB 3.48Å; W32-L44 HydrophobicContact CD2-CD1 4.36Å; W32-L44 HydrophobicContact CE3-CB 4.05Å; W32-L44 HydrophobicContact CE3-CD1 4.32Å; W32-L44 HydrophobicContact CH2-CD1 4.24Å; W32-L44 HydrophobicContact CZ2-CD1 4.24Å; W32-L44 HydrophobicContact CZ3-CB 3.86Å; W32-L44 HydrophobicContact CZ3-CD1 4.25Å; W32-T62 WeakPolarHBondContact O-CA 3.5Å; W32-S63 WeakPolarHBondContact CB-O 3.41Å; W32-S63 PolarHBondContact N-O 2.91Å; W32-S63 PolarHBondContact O-N 3.39Å; W32-T65 PolarHBondContact NE1-OG1 3.24Å; W32-L74 HydrophobicContact CH2-CD1 3.51Å; W32-L74 HydrophobicContact CH2-CG 4.43Å; W32-L74 HydrophobicContact CZ2-CD1 3.89Å; W32-M78 HydrophobicContact CH2-SD 4.01Å; W32-M78 HydrophobicContact CZ3-CE 4.44Å; W32-M78 HydrophobicContact CZ3-CG 4.47Å; W32-M78 HydrophobicContact CZ3-SD 3.55Å; W32-M78 VanDerWaalsContact CZ3-SD 3.55Å; W32-A84 HydrophobicContact CH2-CB 3.52Å; W32-A84 HydrophobicContact CZ2-CB 3.28Å; W32-A84 HydrophobicContact CZ3-CB 4.38Å
33L96.1Very high83.4Confident46 Ų4668 Ų6824%0.24135%0.35CS..EExtended strand (participates in β ladder)trans-75.6-24.3-178.6-64.7-173.2000113.4Q42 V43 Y45 R59 T61L33-Q42 PolarHBondContact N-O 3.42Å; L33-V43 HydrophobicContact CB-CB 4.06Å; L33-V43 HydrophobicContact CB-CG1 4.14Å; L33-V43 HydrophobicContact CD1-CB 4.44Å; L33-V43 HydrophobicContact CD1-CG1 3.61Å; L33-V43 HydrophobicContact CG-CB 4.42Å; L33-V43 HydrophobicContact CG-CG1 4.01Å; L33-V43 PolarHBondContact N-O 3.37Å; L33-Y45 HydrophobicContact CD2-CD1 4.46Å; L33-Y45 HydrophobicContact CD2-CD2 3.72Å; L33-Y45 HydrophobicContact CD2-CG 3.69Å; L33-Y45 HydrophobicContact CG-CG 4.49Å; L33-R59 PolarHBondContact O-NH1 2.94Å; L33-T61 CarbonylContact C-O 3.59Å; L33-T61 CarbonylContact O-C 3.53Å; L33-T61 WeakPolarHBondContact O-CB 3.39Å; L33-T61 PolarHBondContact O-OG1 3.48Å
34R95Very high85.9Confident126 Ų12665.2 Ų65.248%0.47533%0.334SS..EExtended strand (participates in β ladder)trans-154.2149-179.369.3-175.9-169.8-169.4-0.3113.9Q42 V43 T61R34-Q42 HydrophobicContact CG-CB 4.09Å; R34-Q42 PolarHBondContact N-O 2.79Å; R34-Q42 PolarHBondContact O-N 2.77Å; R34-V43 HydrophobicContact CG-CG2 4.46Å; R34-T61 VanDerWaalsContact CA-O 3.24Å; R34-T61 WeakPolarHBondContact CA-O 3.32Å
35Q94.9Very high88.2Confident51 Ų5163.4 Ų63.424%0.23832%0.321CS..EExtended strand (participates in β ladder)trans-89.4124158.8-172.8179.36600109.6G39 R40 C87Q35-G39 WeakPolarHBondContact CG-O 3.47Å; Q35-G39 PolarHBondContact NE2-O 2.87Å; Q35-G39 VanDerWaalsContact NE2-O 3.08Å; Q35-R40 CarbonylContact C-O 3.39Å; Q35-R40 WeakPolarHBondContact CA-O 3.41Å; Q35-C87 PolarHBondContact NE2-O 3.38Å
36A93.4Very high90.2Very high19 Ų1963.5 Ų63.516%0.15731%0.313CS..  trans-72.9170176.300000112.2N38 G39 R40 Q42A36-N38 VanDerWaalsContact CB-OD1 3.22Å; A36-N38 WeakPolarHBondContact CB-OD1 3.39Å; A36-N38 PolarHBondContact O-N 3.47Å; A36-G39 PolarHBondContact O-N 3.45Å; A36-R40 PolarHBondContact N-O 2.9Å; A36-Q42 VanDerWaalsContact CB-CD 3.5Å; A36-Q42 HydrophobicContact CB-CG 3.98Å
37K91.5Very high91.9Very high226 Ų22661.5 Ų61.598%0.98330%0.301SS*.THydrogen-bonded Turntrans-60.4-28.9-178.7-67.4-177.6-178.6175.80113G39K37-G39 PolarHBondContact O-N 2.91Å
38N93.1Very high93.3Very high89 Ų8960.9 Ų60.948%0.47630%0.301SS..THydrogen-bonded Turntrans-77.23.417565-3.1000113.5A36 R40 G82A36-N38 VanDerWaalsContact CB-OD1 3.22Å; A36-N38 WeakPolarHBondContact CB-OD1 3.39Å; A36-N38 PolarHBondContact O-N 3.47Å; N38-R40 VanDerWaalsContact C-N 3.28Å; N38-R40 PolarHBondContact O-N 3.19Å; N38-R40 WeakPolarHBondContact OD1-CB 3.28Å; N38-R40 PolarHBondContact OD1-N 3.34Å; N38-G82 PolarHBondContact ND2-O 3.09Å; N38-G82 VanDerWaalsContact ND2-O 3.15Å
39G92.8Very high93.8Very high28 Ų2860.4 Ų60.429%0.28929%0.293SS..SBendtrans81.5-0.9-179.500000114.7Q35 A36 K37 C87Q35-G39 WeakPolarHBondContact CG-O 3.47Å; Q35-G39 PolarHBondContact NE2-O 2.87Å; Q35-G39 VanDerWaalsContact NE2-O 3.08Å; A36-G39 PolarHBondContact O-N 3.45Å; K37-G39 PolarHBondContact O-N 2.91Å; G39-C87 VanDerWaalsContact O-CB 3.26Å; G39-C87 WeakPolarHBondContact O-CB 3.44Å
40R96.3Very high93.9Very high73 Ų7361.2 Ų61.228%0.27530%0.298SS..  trans-89.2152.1-179.2-68.1178.3170.1-110.10.8112.5Q35 A36 N38 N81 G83 A84Q35-R40 CarbonylContact C-O 3.39Å; Q35-R40 WeakPolarHBondContact CA-O 3.41Å; A36-R40 PolarHBondContact N-O 2.9Å; N38-R40 VanDerWaalsContact C-N 3.28Å; N38-R40 PolarHBondContact O-N 3.19Å; N38-R40 WeakPolarHBondContact OD1-CB 3.28Å; N38-R40 PolarHBondContact OD1-N 3.34Å; R40-N81 WeakPolarHBondContact CD-O 3.39Å; R40-N81 PolarHBondContact NE-O 2.76Å; R40-G83 WeakPolarHBondContact CD-O 3.36Å; R40-G83 PolarHBondContact NH1-O 2.73Å; R40-A84 WeakPolarHBondContact CA-O 3.43Å; R40-A84 VanDerWaalsContact CB-O 3.31Å; R40-A84 WeakPolarHBondContact CB-O 3.43Å
41C96.8Very high93.9Very high0 Ų065.1 Ų65.10%032%0.315CS..EExtended strand (participates in β ladder)trans-80.7136.2179.8-92.20000110.4W32 S63 T65 G83 A84 C87W32-C41 HydrophobicContact CB-CB 3.99Å; W32-C41 HydrophobicContact CD2-CB 3.6Å; W32-C41 HydrophobicContact CE3-CB 4.2Å; W32-C41 HydrophobicContact CG-CB 3.48Å; W32-C41 VanDerWaalsContact CG-CB 3.48Å; C41-S63 WeakPolarHBondContact SG-CB 3.31Å; C41-T65 HydrophobicContact CB-CG2 4.03Å; C41-G83 CarbonylContact O-C 3.59Å; C41-G83 VanDerWaalsContact O-CA 3.24Å; C41-G83 WeakPolarHBondContact O-CA 3.04Å; C41-A84 HydrophobicContact CB-CB 4.08Å; C41-A84 PolarHBondContact N-O 2.99Å; C41-A84 PolarHBondContact O-N 3.25Å; C41-C87 WeakPolarHBondContact CA-SG 3Å; C41-C87 HydrophobicContact CB-CB 3.64Å; C41-C87 WeakPolarHBondContact CB-SG 3Å; C41-C87 PolarHBondContact N-SG 3.48Å; C41-C87 VanDerWaalsContact SG-CA 3.55Å; C41-C87 WeakPolarHBondContact SG-CB 3.34Å; C41-C87 CovalentContact SG-SG 2.03Å; C41-C87 PolarHBondContact SG-SG 3.43Å
42Q95.6Very high93.8Very high38 Ų3872.9 Ų72.918%0.17835%0.352CS..EExtended strand (participates in β ladder)trans-138.3156-178.7-68.6-172.7-12.500111.5L33 R34 A36 M78 G82L33-Q42 PolarHBondContact N-O 3.42Å; R34-Q42 HydrophobicContact CG-CB 4.09Å; R34-Q42 PolarHBondContact N-O 2.79Å; R34-Q42 PolarHBondContact O-N 2.77Å; A36-Q42 VanDerWaalsContact CB-CD 3.5Å; A36-Q42 HydrophobicContact CB-CG 3.98Å; Q42-M78 HydrophobicContact CB-CE 4.31Å; Q42-M78 HydrophobicContact CG-CE 4.4Å; Q42-G82 PolarHBondContact NE2-O 3.3Å
43V95.1Very high93.7Very high62 Ų6277.9 Ų77.938%0.37638%0.375SS..EExtended strand (participates in β ladder)trans6281.3-179.9-167.30000110.1L33 R34 Y45L33-V43 HydrophobicContact CB-CB 4.06Å; L33-V43 HydrophobicContact CB-CG1 4.14Å; L33-V43 HydrophobicContact CD1-CB 4.44Å; L33-V43 HydrophobicContact CD1-CG1 3.61Å; L33-V43 HydrophobicContact CG-CB 4.42Å; L33-V43 HydrophobicContact CG-CG1 4.01Å; L33-V43 PolarHBondContact N-O 3.37Å; R34-V43 HydrophobicContact CG-CG2 4.46Å; V43-Y45 PolarHBondContact O-N 2.81Å
44L93.8Very high93.6Very high71 Ų7176 Ų7637%0.37237%0.365SS..EExtended strand (participates in β ladder)trans-55.9129176-177.670.3000109.2K30 W32 T47 L74K30-L44 HydrophobicContact CB-CD1 3.81Å; K30-L44 HydrophobicContact CD-CD1 4.15Å; K30-L44 HydrophobicContact CG-CD1 4.38Å; W32-L44 HydrophobicContact CD2-CD1 4.36Å; W32-L44 HydrophobicContact CE3-CB 4.05Å; W32-L44 HydrophobicContact CE3-CD1 4.32Å; W32-L44 HydrophobicContact CH2-CD1 4.24Å; W32-L44 HydrophobicContact CZ2-CD1 4.24Å; W32-L44 HydrophobicContact CZ3-CB 3.86Å; W32-L44 HydrophobicContact CZ3-CD1 4.25Å; L44-T47 HydrophobicContact CD1-CG2 4.29Å; L44-T47 HydrophobicContact CD2-CG2 4.05Å; L44-L74 HydrophobicContact CD2-CD2 3.93Å
45Y92.3Very high93.6Very high133 Ų13371 Ų7152%0.52235%0.35SS..EExtended strand (participates in β ladder)trans-104.2-49.2179.8175.9-123.5000111.5C31 L33 V43C31-Y45 WeakPolarHBondContact O-CB 3.38Å; C31-Y45 PolarHBondContact O-N 3.47Å; L33-Y45 HydrophobicContact CD2-CD1 4.46Å; L33-Y45 HydrophobicContact CD2-CD2 3.72Å; L33-Y45 HydrophobicContact CD2-CG 3.69Å; L33-Y45 HydrophobicContact CG-CG 4.49Å; V43-Y45 PolarHBondContact O-N 2.81Å
46K92.6Very high93.6Very high105 Ų10577.3 Ų77.346%0.45738%0.376SS..EExtended strand (participates in β ladder)trans-151.3148.9-178-72.7-173.3176.9-172.10110.2C31 L49C31-K46 HydrophobicContact CB-CB 4.37Å; C31-K46 PolarHBondContact N-O 3.49Å; C31-K46 PolarHBondContact O-N 3.42Å; K46-L49 HydrophobicContact CB-CD1 3.49Å; K46-L49 VanDerWaalsContact CB-CD1 3.49Å; K46-L49 HydrophobicContact CB-CG 4.25Å; K46-L49 HydrophobicContact CD-CD1 3.77Å; K46-L49 HydrophobicContact CG-CD1 4.25Å
47T92Very high93.6Very high56 Ų5680 Ų8034%0.34439%0.391SS..EExtended strand (participates in β ladder)trans-104.7171.6170.657.60000110.1K30 L44 L49K30-T47 HydrophobicContact CD-CG2 4.21Å; K30-T47 HydrophobicContact CG-CG2 4.24Å; L44-T47 HydrophobicContact CD1-CG2 4.29Å; L44-T47 HydrophobicContact CD2-CG2 4.05Å; T47-L49 VanDerWaalsContact C-N 3.3Å; T47-L49 PolarHBondContact O-N 2.83Å
48D90Very high93.7Very high101 Ų10170.4 Ų70.454%0.5436%0.356SS..EExtended strand (participates in β ladder)trans58.541.7170.4-43.1-54.6000112.9G29G29-D48 PolarHBondContact O-N 3.13Å
49L91.6Very high93.8Very high31 Ų3170.9 Ų70.916%0.16235%0.351CS..EExtended strand (participates in β ladder)trans-121.8136.9179.4-71.1-179.6000111.4G29 C31 K46 T47 E53 W64G29-L49 CarbonylContact C-O 3Å; G29-L49 WeakPolarHBondContact CA-O 3.4Å; G29-L49 PolarHBondContact N-O 3.11Å; G29-L49 PolarHBondContact O-N 3.36Å; C31-L49 HydrophobicContact CB-CD1 4.03Å; K46-L49 HydrophobicContact CB-CD1 3.49Å; K46-L49 VanDerWaalsContact CB-CD1 3.49Å; K46-L49 HydrophobicContact CB-CG 4.25Å; K46-L49 HydrophobicContact CD-CD1 3.77Å; K46-L49 HydrophobicContact CG-CD1 4.25Å; T47-L49 VanDerWaalsContact C-N 3.3Å; T47-L49 PolarHBondContact O-N 2.83Å; L49-E53 HydrophobicContact CB-CB 4.46Å; L49-E53 HydrophobicContact CD2-CB 4.01Å; L49-W64 PolarHBondContact O-NE1 2.03Å
50S93.4Very high93.9Very high18 Ų1870.9 Ų70.913%0.12634%0.344CS..  trans-61.8159163.866.90000111.1Q27 E52 E53 C54Q27-S50 WeakPolarHBondContact O-CA 3.41Å; S50-E52 PolarHBondContact O-N 3.17Å; S50-E53 WeakPolarHBondContact CB-OE2 3.46Å; S50-E53 PolarHBondContact N-OE2 3.04Å; S50-E53 PolarHBondContact O-N 3.21Å; S50-E53 WeakPolarHBondContact OG-CB 3.29Å; S50-E53 VanDerWaalsContact OG-CD 3.25Å; S50-E53 WeakPolarHBondContact OG-CG 3.45Å; S50-E53 PolarHBondContact OG-N 3.46Å; S50-E53 PolarHBondContact OG-OE2 3.28Å; S50-C54 PolarHBondContact O-N 3.3Å
51K93.6Very high93.8Very high92 Ų9270.1 Ų70.140%0.435%0.348SS..Hα-helixtrans-57-40.6174.1-174.8-180176.8-175.90111.3C54 C55 W64K51-C54 PolarHBondContact O-N 2.86Å; K51-C55 WeakPolarHBondContact O-CB 3.44Å; K51-C55 PolarHBondContact O-N 3.23Å; K51-C55 PolarHBondContact O-SG 3Å; K51-W64 HydrophobicContact CB-CD2 3.75Å; K51-W64 HydrophobicContact CB-CE3 3.98Å; K51-W64 HydrophobicContact CB-CG 4.17Å; K51-W64 HydrophobicContact CB-CH2 4.31Å; K51-W64 HydrophobicContact CB-CZ2 4.14Å; K51-W64 HydrophobicContact CB-CZ3 4.26Å; K51-W64 HydrophobicContact CD-CE3 4.14Å; K51-W64 HydrophobicContact CD-CZ3 4.39Å; K51-W64 HydrophobicContact CG-CB 4.44Å; K51-W64 HydrophobicContact CG-CD2 4.03Å; K51-W64 HydrophobicContact CG-CE3 4.03Å; K51-W64 HydrophobicContact CG-CG 4.23Å
52E93.3Very high93.8Very high166 Ų16670.4 Ų70.478%0.77635%0.35SS*.Hα-helixtrans-62.9-46.3-179.3-65.2177.4-177.500111.7S50 C55 K56S50-E52 PolarHBondContact O-N 3.17Å; E52-C55 CarbonylContact O-C 3.49Å; E52-C55 PolarHBondContact O-N 3.06Å; E52-K56 WeakPolarHBondContact O-CB 3.49Å; E52-K56 PolarHBondContact O-N 3.35Å
53E94.4Very high93.9Very high105 Ų10568.7 Ų68.749%0.49134%0.342SS..Hα-helixtrans-65-42.5177.6-69.3165.1130.500112.1L49 S50 C55L49-E53 HydrophobicContact CB-CB 4.46Å; L49-E53 HydrophobicContact CD2-CB 4.01Å; S50-E53 WeakPolarHBondContact CB-OE2 3.46Å; S50-E53 PolarHBondContact N-OE2 3.04Å; S50-E53 PolarHBondContact O-N 3.21Å; S50-E53 WeakPolarHBondContact OG-CB 3.29Å; S50-E53 VanDerWaalsContact OG-CD 3.25Å; S50-E53 WeakPolarHBondContact OG-CG 3.45Å; S50-E53 PolarHBondContact OG-N 3.46Å; S50-E53 PolarHBondContact OG-OE2 3.28Å; E53-C55 VanDerWaalsContact C-N 3.33Å; E53-C55 PolarHBondContact O-N 3.25Å
54C94.7Very high94Very high5 Ų566.1 Ų66.13%0.03433%0.326CS..Hα-helixtrans-61.9-41.2175.31770000111.9C31 S50 K51 S63 W64C31-C54 WeakPolarHBondContact CA-SG 3.32Å; C31-C54 HydrophobicContact CB-CB 3.67Å; C31-C54 WeakPolarHBondContact CB-SG 3.44Å; C31-C54 VanDerWaalsContact SG-CA 3.52Å; C31-C54 WeakPolarHBondContact SG-CB 2.99Å; C31-C54 CovalentContact SG-SG 2.04Å; C31-C54 PolarHBondContact SG-SG 3.01Å; S50-C54 PolarHBondContact O-N 3.3Å; K51-C54 PolarHBondContact O-N 2.86Å; C54-S63 PolarHBondContact SG-O 3.41Å; C54-W64 HydrophobicContact CB-CB 4.44Å; C54-W64 HydrophobicContact CB-CG 4.39Å
55C95.2Very high94.1Very high22 Ų2262.9 Ų62.915%0.14931%0.308CS..Hα-helixtrans-93.21.8-172.9-59.60000114.7K51 E52 E53 T57 C90 K91K51-C55 WeakPolarHBondContact O-CB 3.44Å; K51-C55 PolarHBondContact O-N 3.23Å; K51-C55 PolarHBondContact O-SG 3Å; E52-C55 CarbonylContact O-C 3.49Å; E52-C55 PolarHBondContact O-N 3.06Å; E53-C55 VanDerWaalsContact C-N 3.33Å; E53-C55 PolarHBondContact O-N 3.25Å; C55-T57 PolarHBondContact O-N 3.35Å; C55-C90 WeakPolarHBondContact CA-SG 3.38Å; C55-C90 HydrophobicContact CB-CB 3.5Å; C55-C90 WeakPolarHBondContact CB-SG 3.16Å; C55-C90 WeakPolarHBondContact SG-CA 3Å; C55-C90 WeakPolarHBondContact SG-CB 3.42Å; C55-C90 CovalentContact SG-SG 2.04Å; C55-C90 PolarHBondContact SG-SG 3.46Å; C55-K91 PolarHBondContact O-NZ 2.8Å
56K94.4Very high94.1Very high184 Ų18461.2 Ų61.280%0.831%0.306SS*.THydrogen-bonded Turntrans-58.8-28.9179.1-172173-178.1174.60113.8E52E52-K56 WeakPolarHBondContact O-CB 3.49Å; E52-K56 PolarHBondContact O-N 3.35Å
57T93.6Very high93.7Very high75 Ų7559 Ų5946%0.4630%0.297SS..SBendtrans-80.8155.1-179.669.40000112.2C55 R59 K91C55-T57 PolarHBondContact O-N 3.35Å; T57-R59 PolarHBondContact O-N 2.88Å; T57-K91 WeakPolarHBondContact O-CE 3.45Å; T57-K91 PolarHBondContact O-NZ 2.68Å
58G93Very high93.1Very high25 Ų2562 Ų6226%0.25831%0.311SS..  trans-74.34.3174.200000114.8L60 N96 D98G58-L60 PolarHBondContact O-N 2.84Å; G58-N96 VanDerWaalsContact CA-O 3.25Å; G58-N96 WeakPolarHBondContact CA-O 3.38Å; G58-D98 PolarHBondContact O-N 3.34Å
59R94.9Very high93Very high99 Ų9958.5 Ų58.537%0.37429%0.293SS..BIsolated β-bridgetrans-69.7117-172.7-175169.3-176.4-88.3-0.4111.5L33 T57 T61 T62L33-R59 PolarHBondContact O-NH1 2.94Å; T57-R59 PolarHBondContact O-N 2.88Å; R59-T61 PolarHBondContact NH1-OG1 2.76Å; R59-T61 PolarHBondContact O-N 2.91Å; R59-T62 WeakPolarHBondContact CB-OG1 3.47Å; R59-T62 WeakPolarHBondContact CG-OG1 3.43Å; R59-T62 PolarHBondContact NH1-OG1 2.04Å; R59-T62 PolarHBondContact O-N 3.22Å
60L94.9Very high92.8Very high27 Ų2761.7 Ų61.714%0.14131%0.31CS..THydrogen-bonded Turntrans-54.6-45.1-17317661.4000114.9G58 K91 V97 P113 C115G58-L60 PolarHBondContact O-N 2.84Å; L60-K91 HydrophobicContact CD1-CB 4.4Å; L60-V97 HydrophobicContact CB-CG1 3.96Å; L60-V97 HydrophobicContact CD1-CG1 4Å; L60-V97 HydrophobicContact CD1-CG2 4.11Å; L60-V97 HydrophobicContact CG-CG1 4.45Å; L60-P113 HydrophobicContact CD1-CB 3.62Å; L60-P113 HydrophobicContact CD1-CG 3.63Å; L60-C115 HydrophobicContact CD2-CB 4.16Å; L60-C115 VanDerWaalsContact CD2-SG 3.6Å
61T95.3Very high92.6Very high57 Ų5766.9 Ų66.935%0.3534%0.337SS..THydrogen-bonded Turntrans-89-6.5-168.159.40000113.8L33 R34 R59 S63L33-T61 CarbonylContact C-O 3.59Å; L33-T61 CarbonylContact O-C 3.53Å; L33-T61 WeakPolarHBondContact O-CB 3.39Å; L33-T61 PolarHBondContact O-OG1 3.48Å; R34-T61 VanDerWaalsContact CA-O 3.24Å; R34-T61 WeakPolarHBondContact CA-O 3.32Å; R59-T61 PolarHBondContact NH1-OG1 2.76Å; R59-T61 PolarHBondContact O-N 2.91Å; T61-S63 PolarHBondContact O-N 2.89Å; T61-S63 PolarHBondContact O-OG 2.94Å
62T96.6Very high92.5Very high6 Ų668.9 Ų68.94%0.03735%0.351CS..  trans-59.7138.4-178.1-570000110.4W32 R59 C90W32-T62 WeakPolarHBondContact O-CA 3.5Å; R59-T62 WeakPolarHBondContact CB-OG1 3.47Å; R59-T62 WeakPolarHBondContact CG-OG1 3.43Å; R59-T62 PolarHBondContact NH1-OG1 2.04Å; R59-T62 PolarHBondContact O-N 3.22Å; T62-C90 VanDerWaalsContact O-CB 3.27Å; T62-C90 WeakPolarHBondContact O-CB 3.3Å; T62-C90 PolarHBondContact O-N 3.03Å
63S96.8Very high92.5Very high2 Ų263.1 Ų63.11%0.01433%0.328CS..EExtended strand (participates in β ladder)trans-141160.7-177.9-54.90000109.6W32 C41 C54 T61 C87 I88W32-S63 WeakPolarHBondContact CB-O 3.41Å; W32-S63 PolarHBondContact N-O 2.91Å; W32-S63 PolarHBondContact O-N 3.39Å; C41-S63 WeakPolarHBondContact SG-CB 3.31Å; C54-S63 PolarHBondContact SG-O 3.41Å; T61-S63 PolarHBondContact O-N 2.89Å; T61-S63 PolarHBondContact O-OG 2.94Å; S63-C87 VanDerWaalsContact CB-SG 3.59Å; S63-I88 CarbonylContact C-O 3.57Å; S63-I88 VanDerWaalsContact CA-O 3.26Å; S63-I88 WeakPolarHBondContact CA-O 3.04Å; S63-I88 WeakPolarHBondContact CB-O 3.42Å
64W96.9Very high92.3Very high9 Ų959 Ų593%0.03431%0.309CS..EExtended strand (participates in β ladder)trans-134.1150.5-173.7-179.385.4000110.7K30 L49 K51 C54 E66 I88K30-W64 WeakPolarHBondContact O-CA 3.44Å; L49-W64 PolarHBondContact O-NE1 2.03Å; K51-W64 HydrophobicContact CB-CD2 3.75Å; K51-W64 HydrophobicContact CB-CE3 3.98Å; K51-W64 HydrophobicContact CB-CG 4.17Å; K51-W64 HydrophobicContact CB-CH2 4.31Å; K51-W64 HydrophobicContact CB-CZ2 4.14Å; K51-W64 HydrophobicContact CB-CZ3 4.26Å; K51-W64 HydrophobicContact CD-CE3 4.14Å; K51-W64 HydrophobicContact CD-CZ3 4.39Å; K51-W64 HydrophobicContact CG-CB 4.44Å; K51-W64 HydrophobicContact CG-CD2 4.03Å; K51-W64 HydrophobicContact CG-CE3 4.03Å; K51-W64 HydrophobicContact CG-CG 4.23Å; C54-W64 HydrophobicContact CB-CB 4.44Å; C54-W64 HydrophobicContact CB-CG 4.39Å; W64-E66 HydrophobicContact CH2-CB 3.39Å; W64-E66 HydrophobicContact CH2-CG 3.68Å; W64-E66 HydrophobicContact CZ2-CB 4.19Å; W64-E66 HydrophobicContact CZ2-CG 4.44Å; W64-E66 HydrophobicContact CZ3-CB 3.64Å; W64-E66 HydrophobicContact CZ3-CG 4.33Å; W64-I88 HydrophobicContact CE3-CD1 3.83Å; W64-I88 HydrophobicContact CZ3-CD1 3.85Å; W64-I88 PolarHBondContact N-O 2.04Å; W64-I88 PolarHBondContact O-N 3.11Å
65T96.1Very high92.2Very high2 Ų264.7 Ų64.71%0.01233%0.333CS..EExtended strand (participates in β ladder)trans-132.3139.1171.355.80000109.3G29 K30 W32 C41 A84 P85G29-T65 CarbonylContact C-O 3.42Å; G29-T65 VanDerWaalsContact CA-O 3.22Å; G29-T65 WeakPolarHBondContact CA-O 3.39Å; K30-T65 PolarHBondContact N-O 2.04Å; K30-T65 PolarHBondContact O-N 2.78Å; W32-T65 PolarHBondContact NE1-OG1 3.24Å; C41-T65 HydrophobicContact CB-CG2 4.03Å; T65-A84 HydrophobicContact CG2-CB 4.2Å; T65-P85 WeakPolarHBondContact CG2-O 3.46Å
66E93.7Very high92.2Very high99 Ų9969.5 Ų69.546%0.46335%0.352SS..  trans-75.2-28.6-179.9-169.6174164.200113.4Q27 W64 D68Q27-E66 PolarHBondContact NE2-OE1 3.21Å; W64-E66 HydrophobicContact CH2-CB 3.39Å; W64-E66 HydrophobicContact CH2-CG 3.68Å; W64-E66 HydrophobicContact CZ2-CB 4.19Å; W64-E66 HydrophobicContact CZ2-CG 4.44Å; W64-E66 HydrophobicContact CZ3-CB 3.64Å; W64-E66 HydrophobicContact CZ3-CG 4.33Å; E66-D68 PolarHBondContact O-N 3.38Å
67E83.1Confident92.2Very high59 Ų5962.6 Ų62.628%0.27632%0.321SS..  trans-65.8117.1-169.1-68.5170.6173.700112.8V69 W77 P85 N86E67-V69 HydrophobicContact CB-CG1 4.26Å; E67-V69 PolarHBondContact O-N 3.38Å; E67-W77 HydrophobicContact CB-CH2 4.2Å; E67-W77 HydrophobicContact CB-CZ3 4.48Å; E67-W77 WeakPolarHBondContact OE2-CH2 3.3Å; E67-W77 VanDerWaalsContact OE2-CZ3 3.27Å; E67-W77 WeakPolarHBondContact OE2-CZ3 3.42Å; E67-P85 WeakPolarHBondContact OE2-CG 3.1Å; E67-N86 PolarHBondContact OE1-ND2 3.38Å
68D80.4Confident92.1Very high119 Ų11961.9 Ų61.964%0.63631%0.313SS*.  trans-85.693.3165.8-170.721.5000110K30 E66K30-D68 IonicContact NZ-OD1 3.59Å; E66-D68 PolarHBondContact O-N 3.38Å
69V86.5Confident92.2Very high27 Ų2765.5 Ų65.516%0.16433%0.325CS..  trans-111.9150.2175.5-64.20000111.7K30 E67 T73 L74 W77K30-V69 PolarHBondContact NZ-O 3.2Å; E67-V69 HydrophobicContact CB-CG1 4.26Å; E67-V69 PolarHBondContact O-N 3.38Å; V69-T73 HydrophobicContact CB-CG2 3.95Å; V69-T73 HydrophobicContact CG1-CG2 4.02Å; V69-T73 HydrophobicContact CG2-CG2 4.21Å; V69-L74 HydrophobicContact CG2-CB 4.22Å; V69-L74 HydrophobicContact CG2-CD1 4.22Å; V69-W77 HydrophobicContact CB-CH2 4.12Å; V69-W77 HydrophobicContact CB-CZ3 4.37Å; V69-W77 HydrophobicContact CG1-CH2 3.37Å; V69-W77 HydrophobicContact CG1-CZ2 4.05Å; V69-W77 HydrophobicContact CG1-CZ3 4.04Å; V69-W77 HydrophobicContact CG2-CE3 4.15Å; V69-W77 HydrophobicContact CG2-CH2 3.72Å; V69-W77 HydrophobicContact CG2-CZ3 3.47Å; V69-W77 VanDerWaalsContact CG2-CZ3 3.47Å
70N88.2Confident92.2Very high98 Ų9868 Ų6852%0.52434%0.339SS..  trans-63.8161.8172.367.131.6000112.5N72 T73 L74N70-N72 PolarHBondContact O-N 3.49Å; N70-N72 PolarHBondContact OD1-N 2.85Å; N70-T73 PolarHBondContact O-N 3Å; N70-T73 VanDerWaalsContact O-N 3.1Å; N70-T73 WeakPolarHBondContact OD1-CB 3.46Å; N70-T73 PolarHBondContact OD1-N 3.36Å; N70-T73 PolarHBondContact OD1-OG1 2.91Å; N70-L74 PolarHBondContact O-N 2.04Å
71D88.9Confident92.1Very high127 Ų12769.9 Ų69.968%0.67935%0.35SS*.Hα-helixtrans-59.9-33.6-175.2-64.6-19.9000113.2T73 L74 F75D71-T73 PolarHBondContact O-N 3.32Å; D71-L74 PolarHBondContact O-N 2.78Å; D71-F75 WeakPolarHBondContact O-CB 3.47Å; D71-F75 PolarHBondContact O-N 2.87Å
72N91.9Very high92Very high133 Ų13368.5 Ų68.571%0.71135%0.346SS*.Hα-helixtrans-65.2-41.3178.3-69-19.7000111.9N70 K76N70-N72 PolarHBondContact O-N 3.49Å; N70-N72 PolarHBondContact OD1-N 2.85Å; N72-K76 WeakPolarHBondContact O-CB 3.41Å; N72-K76 PolarHBondContact O-N 3.46Å
73T92.5Very high92Very high46 Ų4668.2 Ų68.228%0.28234%0.344SS..Hα-helixtrans-71.2-42.1178-56.40000110.5V69 N70 D71 F75 K76 W77V69-T73 HydrophobicContact CB-CG2 3.95Å; V69-T73 HydrophobicContact CG1-CG2 4.02Å; V69-T73 HydrophobicContact CG2-CG2 4.21Å; N70-T73 PolarHBondContact O-N 3Å; N70-T73 VanDerWaalsContact O-N 3.1Å; N70-T73 WeakPolarHBondContact OD1-CB 3.46Å; N70-T73 PolarHBondContact OD1-N 3.36Å; N70-T73 PolarHBondContact OD1-OG1 2.91Å; D71-T73 PolarHBondContact O-N 3.32Å; T73-F75 VanDerWaalsContact C-N 3.34Å; T73-F75 PolarHBondContact O-N 2.73Å; T73-K76 WeakPolarHBondContact O-CB 3.42Å; T73-K76 PolarHBondContact O-N 3Å; T73-W77 HydrophobicContact CG2-CD2 4.29Å; T73-W77 HydrophobicContact CG2-CH2 4.19Å; T73-W77 HydrophobicContact CG2-CZ2 3.64Å; T73-W77 PolarHBondContact O-N 3.37Å
74L91Very high91.9Very high17 Ų1768.1 Ų68.19%0.08934%0.344CS..Hα-helixtrans-59-46.5175-166.164.7000111.5K30 W32 L44 V69 N70 D71 K76 W77 M78K30-L74 HydrophobicContact CD-CD1 4.03Å; K30-L74 HydrophobicContact CD-CD2 4.14Å; W32-L74 HydrophobicContact CH2-CD1 3.51Å; W32-L74 HydrophobicContact CH2-CG 4.43Å; W32-L74 HydrophobicContact CZ2-CD1 3.89Å; L44-L74 HydrophobicContact CD2-CD2 3.93Å; V69-L74 HydrophobicContact CG2-CB 4.22Å; V69-L74 HydrophobicContact CG2-CD1 4.22Å; N70-L74 PolarHBondContact O-N 2.04Å; D71-L74 PolarHBondContact O-N 2.78Å; L74-K76 VanDerWaalsContact C-N 3.35Å; L74-K76 PolarHBondContact O-N 3.42Å; L74-W77 HydrophobicContact CD1-CE3 4.38Å; L74-W77 PolarHBondContact O-N 3.19Å; L74-M78 WeakPolarHBondContact O-CB 3.23Å; L74-M78 VanDerWaalsContact O-CG 3.32Å; L74-M78 WeakPolarHBondContact O-CG 3.28Å; L74-M78 PolarHBondContact O-N 2.89Å
75F93.1Very high91.9Very high125 Ų12568.8 Ų68.855%0.54835%0.349SS..Hα-helixtrans-58.4-47174.4178.7-94.5000111D71 T73 W77 M78 I79 F80D71-F75 WeakPolarHBondContact O-CB 3.47Å; D71-F75 PolarHBondContact O-N 2.87Å; T73-F75 VanDerWaalsContact C-N 3.34Å; T73-F75 PolarHBondContact O-N 2.73Å; F75-W77 VanDerWaalsContact C-N 3.3Å; F75-W77 PolarHBondContact O-N 3.12Å; F75-M78 PolarHBondContact O-N 3.09Å; F75-I79 HydrophobicContact CD1-CG1 4.36Å; F75-I79 HydrophobicContact CD2-CG1 3.93Å; F75-I79 HydrophobicContact CE1-CB 4.46Å; F75-I79 HydrophobicContact CE1-CG1 4.06Å; F75-I79 HydrophobicContact CE2-CD1 4.3Å; F75-I79 HydrophobicContact CE2-CG1 3.6Å; F75-I79 HydrophobicContact CG-CG1 4.3Å; F75-I79 HydrophobicContact CZ-CB 4.45Å; F75-I79 HydrophobicContact CZ-CG1 3.67Å; F75-I79 WeakPolarHBondContact O-CG1 3.44Å; F75-I79 PolarHBondContact O-N 3.14Å; F75-F80 HydrophobicContact CE1-CE2 4.18Å
76K94.8Very high91.8Very high123 Ų12374 Ų7454%0.53538%0.377SS..Hα-helixtrans-56.2-46.3178.1-177.6179.7178.5178.40111.4N72 T73 L74 F80 N81N72-K76 WeakPolarHBondContact O-CB 3.41Å; N72-K76 PolarHBondContact O-N 3.46Å; T73-K76 WeakPolarHBondContact O-CB 3.42Å; T73-K76 PolarHBondContact O-N 3Å; L74-K76 VanDerWaalsContact C-N 3.35Å; L74-K76 PolarHBondContact O-N 3.42Å; K76-F80 HydrophobicContact CB-CD2 4.46Å; K76-F80 HydrophobicContact CG-CD2 4.08Å; K76-F80 WeakPolarHBondContact O-CB 3.33Å; K76-F80 PolarHBondContact O-N 3.07Å; K76-N81 PolarHBondContact O-N 3.02Å; K76-N81 PolarHBondContact O-OD1 2.91Å
77W93.9Very high91.9Very high39 Ų3970 Ų7015%0.14836%0.36CS..Hα-helixtrans-64.9-43.4178.8-66.9-15.5000113.3E67 V69 T73 L74 F75 N81 G82 G83 A84 P85E67-W77 HydrophobicContact CB-CH2 4.2Å; E67-W77 HydrophobicContact CB-CZ3 4.48Å; E67-W77 WeakPolarHBondContact OE2-CH2 3.3Å; E67-W77 VanDerWaalsContact OE2-CZ3 3.27Å; E67-W77 WeakPolarHBondContact OE2-CZ3 3.42Å; V69-W77 HydrophobicContact CB-CH2 4.12Å; V69-W77 HydrophobicContact CB-CZ3 4.37Å; V69-W77 HydrophobicContact CG1-CH2 3.37Å; V69-W77 HydrophobicContact CG1-CZ2 4.05Å; V69-W77 HydrophobicContact CG1-CZ3 4.04Å; V69-W77 HydrophobicContact CG2-CE3 4.15Å; V69-W77 HydrophobicContact CG2-CH2 3.72Å; V69-W77 HydrophobicContact CG2-CZ3 3.47Å; V69-W77 VanDerWaalsContact CG2-CZ3 3.47Å; T73-W77 HydrophobicContact CG2-CD2 4.29Å; T73-W77 HydrophobicContact CG2-CH2 4.19Å; T73-W77 HydrophobicContact CG2-CZ2 3.64Å; T73-W77 PolarHBondContact O-N 3.37Å; L74-W77 HydrophobicContact CD1-CE3 4.38Å; L74-W77 PolarHBondContact O-N 3.19Å; F75-W77 VanDerWaalsContact C-N 3.3Å; F75-W77 PolarHBondContact O-N 3.12Å; W77-N81 CarbonylContact O-C 3.59Å; W77-N81 WeakPolarHBondContact O-CA 3.34Å; W77-N81 WeakPolarHBondContact O-CB 3.15Å; W77-N81 PolarHBondContact O-N 2.86Å; W77-N81 VanDerWaalsContact O-N 3.17Å; W77-G82 PolarHBondContact O-N 3.22Å; W77-G82 VanDerWaalsContact O-N 3.14Å; W77-G83 PolarHBondContact O-N 3.45Å; W77-A84 HydrophobicContact CE3-CB 3.96Å; W77-A84 HydrophobicContact CZ3-CB 4.48Å; W77-P85 VanDerWaalsContact CD2-CD 3.45Å; W77-P85 HydrophobicContact CD2-CG 4.2Å; W77-P85 HydrophobicContact CE3-CG 4.26Å; W77-P85 HydrophobicContact CH2-CG 4.11Å; W77-P85 HydrophobicContact CZ2-CG 4.03Å; W77-P85 HydrophobicContact CZ3-CG 4.2Å
78M92.1Very high92.5Very high60 Ų6069.6 Ų69.630%0.29636%0.359SS..Hα-helixtrans-66.9-40.2-177.8-72.7-57.4-60.100112.4W32 Q42 L74 F75W32-M78 HydrophobicContact CH2-SD 4.01Å; W32-M78 HydrophobicContact CZ3-CE 4.44Å; W32-M78 HydrophobicContact CZ3-CG 4.47Å; W32-M78 HydrophobicContact CZ3-SD 3.55Å; W32-M78 VanDerWaalsContact CZ3-SD 3.55Å; Q42-M78 HydrophobicContact CB-CE 4.31Å; Q42-M78 HydrophobicContact CG-CE 4.4Å; L74-M78 WeakPolarHBondContact O-CB 3.23Å; L74-M78 VanDerWaalsContact O-CG 3.32Å; L74-M78 WeakPolarHBondContact O-CG 3.28Å; L74-M78 PolarHBondContact O-N 2.89Å; F75-M78 PolarHBondContact O-N 3.09Å
79I94Very high93.3Very high102 Ų10265.7 Ų65.752%0.52334%0.34SS..Hα-helixtrans-89.6-47-175.2-58.2-55000112.2F75F75-I79 HydrophobicContact CD1-CG1 4.36Å; F75-I79 HydrophobicContact CD2-CG1 3.93Å; F75-I79 HydrophobicContact CE1-CB 4.46Å; F75-I79 HydrophobicContact CE1-CG1 4.06Å; F75-I79 HydrophobicContact CE2-CD1 4.3Å; F75-I79 HydrophobicContact CE2-CG1 3.6Å; F75-I79 HydrophobicContact CG-CG1 4.3Å; F75-I79 HydrophobicContact CZ-CB 4.45Å; F75-I79 HydrophobicContact CZ-CG1 3.67Å; F75-I79 WeakPolarHBondContact O-CG1 3.44Å; F75-I79 PolarHBondContact O-N 3.14Å
80F95.5Very high93.7Very high152 Ų15265.4 Ų65.467%0.66734%0.339SS*.Hα-helixtrans-99.2-22.4-171-57-70.8000113.9F75 K76F75-F80 HydrophobicContact CE1-CE2 4.18Å; K76-F80 HydrophobicContact CB-CD2 4.46Å; K76-F80 HydrophobicContact CG-CD2 4.08Å; K76-F80 WeakPolarHBondContact O-CB 3.33Å; K76-F80 PolarHBondContact O-N 3.07Å
81N93.8Very high94Very high66 Ų6662 Ų6235%0.35332%0.32SS..SBendtrans-112.95.9-176.5-56.266.6000113.4R40 K76 W77 G83R40-N81 WeakPolarHBondContact CD-O 3.39Å; R40-N81 PolarHBondContact NE-O 2.76Å; K76-N81 PolarHBondContact O-N 3.02Å; K76-N81 PolarHBondContact O-OD1 2.91Å; W77-N81 CarbonylContact O-C 3.59Å; W77-N81 WeakPolarHBondContact O-CA 3.34Å; W77-N81 WeakPolarHBondContact O-CB 3.15Å; W77-N81 PolarHBondContact O-N 2.86Å; W77-N81 VanDerWaalsContact O-N 3.17Å; N81-G83 VanDerWaalsContact C-N 3.28Å; N81-G83 PolarHBondContact O-N 3.45Å
82G92.8Very high94.3Very high27 Ų2762.2 Ų62.228%0.27832%0.317SS..SBendtrans6921.317600000114.8N38 Q42 W77N38-G82 PolarHBondContact ND2-O 3.09Å; N38-G82 VanDerWaalsContact ND2-O 3.15Å; Q42-G82 PolarHBondContact NE2-O 3.3Å; W77-G82 PolarHBondContact O-N 3.22Å; W77-G82 VanDerWaalsContact O-N 3.14Å
83G95.8Very high94.5Very high0 Ų059.2 Ų59.20%030%0.303CS..SBendtrans133.9169.5174.100000114.1R40 C41 W77 N81R40-G83 WeakPolarHBondContact CD-O 3.36Å; R40-G83 PolarHBondContact NH1-O 2.73Å; C41-G83 CarbonylContact O-C 3.59Å; C41-G83 VanDerWaalsContact O-CA 3.24Å; C41-G83 WeakPolarHBondContact O-CA 3.04Å; W77-G83 PolarHBondContact O-N 3.45Å; N81-G83 VanDerWaalsContact C-N 3.28Å; N81-G83 PolarHBondContact O-N 3.45Å
84A95.8Very high94.7Very high0 Ų059 Ų590%030%0.303CS..BIsolated β-bridgetrans-67.3137.4176.300000111.5W32 R40 C41 T65 W77W32-A84 HydrophobicContact CH2-CB 3.52Å; W32-A84 HydrophobicContact CZ2-CB 3.28Å; W32-A84 HydrophobicContact CZ3-CB 4.38Å; R40-A84 WeakPolarHBondContact CA-O 3.43Å; R40-A84 VanDerWaalsContact CB-O 3.31Å; R40-A84 WeakPolarHBondContact CB-O 3.43Å; C41-A84 HydrophobicContact CB-CB 4.08Å; C41-A84 PolarHBondContact N-O 2.99Å; C41-A84 PolarHBondContact O-N 3.25Å; T65-A84 HydrophobicContact CG2-CB 4.2Å; W77-A84 HydrophobicContact CE3-CB 3.96Å; W77-A84 HydrophobicContact CZ3-CB 4.48Å
85P95.4Very high94.9Very high24 Ų2464.7 Ų64.716%0.15633%0.329CS..SBendtrans-72178.9177.235.3-36000111T65 E67 W77 C87T65-P85 WeakPolarHBondContact CG2-O 3.46Å; E67-P85 WeakPolarHBondContact OE2-CG 3.1Å; W77-P85 VanDerWaalsContact CD2-CD 3.45Å; W77-P85 HydrophobicContact CD2-CG 4.2Å; W77-P85 HydrophobicContact CE3-CG 4.26Å; W77-P85 HydrophobicContact CH2-CG 4.11Å; W77-P85 HydrophobicContact CZ2-CG 4.03Å; W77-P85 HydrophobicContact CZ3-CG 4.2Å; P85-C87 PolarHBondContact O-N 2.81Å
86N94.8Very high94.9Very high111 Ų11164.8 Ų64.859%0.59434%0.335SS*.SBendtrans51.437.4171.9-58.9-31.7000114E67 I88E67-N86 PolarHBondContact OE1-ND2 3.38Å; N86-I88 PolarHBondContact O-N 3.11Å
87C95.9Very high95Very high15 Ų1560 Ų6010%0.10132%0.316CS..  trans-78115.9-173.3-178.10000111.5Q35 G39 C41 S63 P85Q35-C87 PolarHBondContact NE2-O 3.38Å; G39-C87 VanDerWaalsContact O-CB 3.26Å; G39-C87 WeakPolarHBondContact O-CB 3.44Å; C41-C87 WeakPolarHBondContact CA-SG 3Å; C41-C87 HydrophobicContact CB-CB 3.64Å; C41-C87 WeakPolarHBondContact CB-SG 3Å; C41-C87 PolarHBondContact N-SG 3.48Å; C41-C87 VanDerWaalsContact SG-CA 3.55Å; C41-C87 WeakPolarHBondContact SG-CB 3.34Å; C41-C87 CovalentContact SG-SG 2.03Å; C41-C87 PolarHBondContact SG-SG 3.43Å; S63-C87 VanDerWaalsContact CB-SG 3.59Å; P85-C87 PolarHBondContact O-N 2.81Å
88I95.9Very high95.1Very high51 Ų5163.6 Ų63.626%0.26234%0.339SS..EExtended strand (participates in β ladder)trans-101.7114.2-178-61.2159.9000108.7S63 W64 N86S63-I88 CarbonylContact C-O 3.57Å; S63-I88 VanDerWaalsContact CA-O 3.26Å; S63-I88 WeakPolarHBondContact CA-O 3.04Å; S63-I88 WeakPolarHBondContact CB-O 3.42Å; W64-I88 HydrophobicContact CE3-CD1 3.83Å; W64-I88 HydrophobicContact CZ3-CD1 3.85Å; W64-I88 PolarHBondContact N-O 2.04Å; W64-I88 PolarHBondContact O-N 3.11Å; N86-I88 PolarHBondContact O-N 3.11Å
89P95.9Very high95.3Very high37 Ų3761.9 Ų61.924%0.2433%0.332CS..EExtended strand (participates in β ladder)trans-67.2138.4176.228.6-33.3000110.7K91 E92P89-K91 PolarHBondContact O-N 3.34Å; P89-E92 HydrophobicContact CG-CG 4.31Å
90C95.7Very high95.3Very high20 Ų2058.5 Ų58.514%0.13532%0.323CS..SBendtrans-71.2-18.7177.5-75.70000113.8C55 T62C55-C90 WeakPolarHBondContact CA-SG 3.38Å; C55-C90 HydrophobicContact CB-CB 3.5Å; C55-C90 WeakPolarHBondContact CB-SG 3.16Å; C55-C90 WeakPolarHBondContact SG-CA 3Å; C55-C90 WeakPolarHBondContact SG-CB 3.42Å; C55-C90 CovalentContact SG-SG 2.04Å; C55-C90 PolarHBondContact SG-SG 3.46Å; T62-C90 VanDerWaalsContact O-CB 3.27Å; T62-C90 WeakPolarHBondContact O-CB 3.3Å; T62-C90 PolarHBondContact O-N 3.03Å
91K95.4Very high95.2Very high26 Ų2657.5 Ų57.511%0.11333%0.331CS..  trans-132.7107.8-176-60.6-67.7-176-81.90108.7C55 T57 L60 P89 N96 V97 P113C55-K91 PolarHBondContact O-NZ 2.8Å; T57-K91 WeakPolarHBondContact O-CE 3.45Å; T57-K91 PolarHBondContact O-NZ 2.68Å; L60-K91 HydrophobicContact CD1-CB 4.4Å; P89-K91 PolarHBondContact O-N 3.34Å; K91-N96 VanDerWaalsContact CE-O 3.27Å; K91-N96 WeakPolarHBondContact CE-O 3.06Å; K91-V97 HydrophobicContact CB-CG2 4.01Å; K91-V97 HydrophobicContact CD-CG2 3.98Å; K91-V97 HydrophobicContact CG-CG2 3.97Å; K91-P113 WeakPolarHBondContact O-CG 3.31Å
92E94.1Very high95.2Very high133 Ų13356.2 Ų56.262%0.62133%0.334SS*.SBendtrans-94.4-23.7175.4-63.9-173.417600112.2P89 M107 P113P89-E92 HydrophobicContact CG-CG 4.31Å; E92-M107 WeakPolarHBondContact O-CE 3.46Å; E92-P113 WeakPolarHBondContact O-CD 3.35Å
93T95.9Very high95.4Very high70 Ų7059.3 Ų59.343%0.42934%0.339SS..SBendtrans-121.7-179.5176.672.20000110.2E95 V97 P113T93-E95 VanDerWaalsContact OG1-CB 3.31Å; T93-E95 WeakPolarHBondContact OG1-CB 3.06Å; T93-E95 PolarHBondContact OG1-N 3.24Å; T93-V97 WeakPolarHBondContact O-CG2 3.05Å; T93-P113 WeakPolarHBondContact O-CB 3.46Å; T93-P113 WeakPolarHBondContact O-CG 3.39Å
94C96.9Very high95.4Very high41 Ų4165.9 Ų65.928%0.27737%0.368SS..SBendtrans-81.81.8172.2-77.80000114V97 C105 K106C94-V97 PolarHBondContact O-N 2.74Å; C94-C105 WeakPolarHBondContact CA-SG 3.45Å; C94-C105 HydrophobicContact CB-CB 3.6Å; C94-C105 WeakPolarHBondContact CB-SG 3.44Å; C94-C105 WeakPolarHBondContact SG-CB 3.17Å; C94-C105 CovalentContact SG-SG 2.04Å; C94-C105 PolarHBondContact SG-SG 2.79Å; C94-K106 PolarHBondContact SG-N 3.29Å; C94-K106 VanDerWaalsContact SG-N 3.4Å
95E96.3Very high95.5Very high137 Ų13767.3 Ų67.364%0.6438%0.378SS*.THydrogen-bonded Turntrans-67132.9177.9-163.9-178.8166.500110.5T93 V97T93-E95 VanDerWaalsContact OG1-CB 3.31Å; T93-E95 WeakPolarHBondContact OG1-CB 3.06Å; T93-E95 PolarHBondContact OG1-N 3.24Å; E95-V97 PolarHBondContact O-N 3.43Å; E95-V97 VanDerWaalsContact O-N 3.09Å
96N93Very high95.6Very high126 Ų12672.5 Ų72.567%0.67440%0.398SS*.THydrogen-bonded Turntrans5525.8-178.1-56.4-45.9000114.4G58 K91G58-N96 VanDerWaalsContact CA-O 3.25Å; G58-N96 WeakPolarHBondContact CA-O 3.38Å; K91-N96 VanDerWaalsContact CE-O 3.27Å; K91-N96 WeakPolarHBondContact CE-O 3.06Å
97V96.7Very high95.7Very high23 Ų2371.1 Ų71.114%0.13939%0.389CS..  trans-90121.3173.2175.70000109.9L60 K91 T93 C94 E95 C105L60-V97 HydrophobicContact CB-CG1 3.96Å; L60-V97 HydrophobicContact CD1-CG1 4Å; L60-V97 HydrophobicContact CD1-CG2 4.11Å; L60-V97 HydrophobicContact CG-CG1 4.45Å; K91-V97 HydrophobicContact CB-CG2 4.01Å; K91-V97 HydrophobicContact CD-CG2 3.98Å; K91-V97 HydrophobicContact CG-CG2 3.97Å; T93-V97 WeakPolarHBondContact O-CG2 3.05Å; C94-V97 PolarHBondContact O-N 2.74Å; E95-V97 PolarHBondContact O-N 3.43Å; E95-V97 VanDerWaalsContact O-N 3.09Å; V97-C105 HydrophobicContact CB-CB 4.19Å; V97-C105 HydrophobicContact CG1-CB 4.03Å
98D96.4Very high95.6Very high115 Ų11572.8 Ų72.862%0.61540%0.397SS*.BIsolated β-bridgetrans-98.3115.8169.3-17812.1000110G58 G100G58-D98 PolarHBondContact O-N 3.34Å; D98-G100 PolarHBondContact OD1-N 2.76Å
99C96.2Very high95.6Very high24 Ų2480.8 Ų80.816%0.16243%0.43CS..  trans-95.7-4.4178.9-700000113.7K103 C115C99-K103 HydrophobicContact CB-CB 3.66Å; C99-C115 WeakPolarHBondContact CA-SG 3.02Å; C99-C115 HydrophobicContact CB-CB 3.63Å; C99-C115 WeakPolarHBondContact CB-SG 3.35Å; C99-C115 WeakPolarHBondContact SG-CA 3.07Å; C99-C115 WeakPolarHBondContact SG-CB 3.43Å; C99-C115 CovalentContact SG-SG 2.03Å; C99-C115 PolarHBondContact SG-SG 2.77Å
100G93.9Very high95.4Very high31 Ų3187.5 Ų87.532%0.3246%0.455SS..  trans72-177-170.600000113.7D98D98-G100 PolarHBondContact OD1-N 2.76Å
101P93.3Very high95.3Very high131 Ų13192.8 Ų92.885%0.85148%0.482SS*.THydrogen-bonded Turntrans-64.7142.9-173.326.4-34.8000112.6K103P101-K103 PolarHBondContact O-N 2.9Å
102G93.3Very high95.1Very high39 Ų3995.9 Ų95.940%0.40250%0.496SS..THydrogen-bonded Turntrans68.511.7176.100000115A118G102-A118 CarbonylContact O-C 3.48Å; G102-A118 VanDerWaalsContact O-C 3.22Å; G102-A118 PolarHBondContact O-N 2.78Å
103K97Very high95.2Very high91 Ų9190.2 Ų90.240%0.39647%0.47SS..EExtended strand (participates in β ladder)trans-127.7150.6177.3-67177.2-177.5173.50110.8C99 P101 V116 C149C99-K103 HydrophobicContact CB-CB 3.66Å; P101-K103 PolarHBondContact O-N 2.9Å; K103-V116 CarbonylContact C-O 3.51Å; K103-V116 WeakPolarHBondContact CA-O 3.4Å; K103-C149 WeakPolarHBondContact CE-SG 3.22Å
104K96.5Very high95.2Very high138 Ų13893.1 Ų93.160%0.647%0.473SS*.EExtended strand (participates in β ladder)trans-132146.1174.9-70.9-175.9179.9-174.10109.9V116 A118K104-V116 PolarHBondContact N-O 2.91Å; K104-V116 WeakPolarHBondContact O-CG2 3.42Å; K104-V116 PolarHBondContact O-N 3.31Å; K104-A118 HydrophobicContact CB-CB 4.01Å; K104-A118 HydrophobicContact CD-CB 3.97Å; K104-A118 HydrophobicContact CG-CB 3.82Å
105C97.7Very high95.2Very high30 Ų3093.2 Ų93.220%0.20347%0.474CS..EExtended strand (participates in β ladder)trans-76133.9173.5-170.80000110.3C94 V97 R114C94-C105 WeakPolarHBondContact CA-SG 3.45Å; C94-C105 HydrophobicContact CB-CB 3.6Å; C94-C105 WeakPolarHBondContact CB-SG 3.44Å; C94-C105 WeakPolarHBondContact SG-CB 3.17Å; C94-C105 CovalentContact SG-SG 2.04Å; C94-C105 PolarHBondContact SG-SG 2.79Å; V97-C105 HydrophobicContact CB-CB 4.19Å; V97-C105 HydrophobicContact CG1-CB 4.03Å; C105-R114 CarbonylContact C-O 3.59Å; C105-R114 WeakPolarHBondContact CA-O 3.3Å
106K97.1Very high95.2Very high133 Ų13389.3 Ų89.358%0.57846%0.459SS*.EExtended strand (participates in β ladder)trans-136.7144.7169.4-68.7-165.7178.8-171.50110.6C94 R114 V116C94-K106 PolarHBondContact SG-N 3.29Å; C94-K106 VanDerWaalsContact SG-N 3.4Å; K106-R114 PolarHBondContact N-O 2.85Å; K106-R114 PolarHBondContact O-N 2.92Å; K106-V116 HydrophobicContact CB-CG2 4.25Å; K106-V116 HydrophobicContact CD-CG2 3.93Å; K106-V116 HydrophobicContact CG-CG2 3.9Å
107M96.7Very high95.4Very high83 Ų8384.7 Ų84.741%0.40944%0.437SS..EExtended strand (participates in β ladder)trans-72.5132.3170.4-59.6-55-77.700109.6E92 N111 P113E92-M107 WeakPolarHBondContact O-CE 3.46Å; M107-N111 VanDerWaalsContact CE-C 3.43Å; M107-N111 HydrophobicContact CE-CB 4.48Å; M107-N111 WeakPolarHBondContact CE-O 3.18Å; M107-P113 HydrophobicContact SD-CB 3.93Å
108N94.3Very high95.5Very high50 Ų5085 Ų8527%0.26744%0.441SS..  trans-86.3177.7174.873.97.8000111.7K110 N111 K112 R114N108-K110 PolarHBondContact O-N 3.01Å; N108-K110 WeakPolarHBondContact OD1-CA 3.33Å; N108-K110 PolarHBondContact OD1-N 3.05Å; N108-N111 PolarHBondContact O-N 2.76Å; N108-N111 PolarHBondContact OD1-N 3.19Å; N108-K112 VanDerWaalsContact CG-O 3.24Å; N108-K112 PolarHBondContact N-O 2.99Å; N108-K112 PolarHBondContact OD1-N 3.28Å; N108-K112 PolarHBondContact OD1-O 3Å; N108-R114 HydrophobicContact CB-CG 4.11Å
109K94.9Very high95.4Very high219 Ų21980.6 Ų80.695%0.95242%0.419SS*.THydrogen-bonded Turntrans-59.9-12178.2-61.1-174.2178.9-175.50115
110K92.2Very high95.4Very high177 Ų17784.5 Ų84.577%0.7744%0.438SS*.THydrogen-bonded Turntrans-106.518.6178.3-59.4-172.3177.9-171.70111.9N108 K112N108-K110 PolarHBondContact O-N 3.01Å; N108-K110 WeakPolarHBondContact OD1-CA 3.33Å; N108-K110 PolarHBondContact OD1-N 3.05Å; K110-K112 PolarHBondContact O-N 2.55Å; K110-K112 VanDerWaalsContact O-N 3.14Å
111N93.3Very high95.5Very high131 Ų13184.5 Ų84.570%0.70143%0.433SS*.SBendtrans51.235-174.8-66-13.4000113.8M107 N108M107-N111 VanDerWaalsContact CE-C 3.43Å; M107-N111 HydrophobicContact CE-CB 4.48Å; M107-N111 WeakPolarHBondContact CE-O 3.18Å; N108-N111 PolarHBondContact O-N 2.76Å; N108-N111 PolarHBondContact OD1-N 3.19Å
112K92.6Very high95.5Very high92 Ų9282.8 Ų82.840%0.442%0.424SS..  trans-108137.2171.4-66.7-162.5173.3-164.60110.8N108 K110N108-K112 VanDerWaalsContact CG-O 3.24Å; N108-K112 PolarHBondContact N-O 2.99Å; N108-K112 PolarHBondContact OD1-N 3.28Å; N108-K112 PolarHBondContact OD1-O 3Å; K110-K112 PolarHBondContact O-N 2.55Å; K110-K112 VanDerWaalsContact O-N 3.14Å
113P96.2Very high95.6Very high13 Ų1387.8 Ų87.88%0.08444%0.442CS..EExtended strand (participates in β ladder)trans-68.9139.3178.926.4-31.3000110.7L60 K91 E92 T93 M107L60-P113 HydrophobicContact CD1-CB 3.62Å; L60-P113 HydrophobicContact CD1-CG 3.63Å; K91-P113 WeakPolarHBondContact O-CG 3.31Å; E92-P113 WeakPolarHBondContact O-CD 3.35Å; T93-P113 WeakPolarHBondContact O-CB 3.46Å; T93-P113 WeakPolarHBondContact O-CG 3.39Å; M107-P113 HydrophobicContact SD-CB 3.93Å
114R95.8Very high95.5Very high131 Ų13184.4 Ų84.449%0.49443%0.428SS..EExtended strand (participates in β ladder)trans-139.9130179.5-67.7-64.7178173.4-2.9110.8C105 K106 N108 V116C105-R114 CarbonylContact C-O 3.59Å; C105-R114 WeakPolarHBondContact CA-O 3.3Å; K106-R114 PolarHBondContact N-O 2.85Å; K106-R114 PolarHBondContact O-N 2.92Å; N108-R114 HydrophobicContact CB-CG 4.11Å; R114-V116 HydrophobicContact CB-CG1 4.48Å; R114-V116 PolarHBondContact O-N 3.37Å
115C96.6Very high95.5Very high43 Ų4384.1 Ų84.129%0.29144%0.438SS..EExtended strand (participates in β ladder)trans-75.6116167.3-66.90000109.5L60 C99L60-C115 HydrophobicContact CD2-CB 4.16Å; L60-C115 VanDerWaalsContact CD2-SG 3.6Å; C99-C115 WeakPolarHBondContact CA-SG 3.02Å; C99-C115 HydrophobicContact CB-CB 3.63Å; C99-C115 WeakPolarHBondContact CB-SG 3.35Å; C99-C115 WeakPolarHBondContact SG-CA 3.07Å; C99-C115 WeakPolarHBondContact SG-CB 3.43Å; C99-C115 CovalentContact SG-SG 2.03Å; C99-C115 PolarHBondContact SG-SG 2.77Å
116V96.6Very high95.4Very high56 Ų5687 Ų8734%0.33944%0.444SS..EExtended strand (participates in β ladder)trans-113.4148.6178.3-61.90000110.5K103 K104 K106 R114 A118K103-V116 CarbonylContact C-O 3.51Å; K103-V116 WeakPolarHBondContact CA-O 3.4Å; K104-V116 PolarHBondContact N-O 2.91Å; K104-V116 WeakPolarHBondContact O-CG2 3.42Å; K104-V116 PolarHBondContact O-N 3.31Å; K106-V116 HydrophobicContact CB-CG2 4.25Å; K106-V116 HydrophobicContact CD-CG2 3.93Å; K106-V116 HydrophobicContact CG-CG2 3.9Å; R114-V116 HydrophobicContact CB-CG1 4.48Å; R114-V116 PolarHBondContact O-N 3.37Å; V116-A118 PolarHBondContact O-N 2.98Å
117C97.4Very high95.4Very high29 Ų2987.6 Ų87.620%0.19645%0.447CS..EExtended strand (participates in β ladder)trans-63.5122.1175.6-69.10000111.3C149 K150C117-C149 WeakPolarHBondContact CA-SG 3.32Å; C117-C149 HydrophobicContact CB-CB 3.67Å; C117-C149 WeakPolarHBondContact CB-SG 3.46Å; C117-C149 WeakPolarHBondContact SG-CB 3.46Å; C117-C149 PolarHBondContact SG-O 2.85Å; C117-C149 VanDerWaalsContact SG-O 3.37Å; C117-C149 CovalentContact SG-SG 2.04Å; C117-C149 PolarHBondContact SG-SG 3.3Å; C117-K150 HydrophobicContact CB-CG 4.3Å
118A96.8Very high95.4Very high29 Ų2984.8 Ų84.824%0.2444%0.439CS..  trans-141.366.2179.100000108.5G102 K104 V116G102-A118 CarbonylContact O-C 3.48Å; G102-A118 VanDerWaalsContact O-C 3.22Å; G102-A118 PolarHBondContact O-N 2.78Å; K104-A118 HydrophobicContact CB-CB 4.01Å; K104-A118 HydrophobicContact CD-CB 3.97Å; K104-A118 HydrophobicContact CG-CB 3.82Å; V116-A118 PolarHBondContact O-N 2.98Å
119P96.1Very high95.6Very high22 Ų2284.3 Ų84.314%0.14344%0.439CS..  trans-61.6149.717528.7-34.8000110C121 L145 K146P119-C121 PolarHBondContact O-N 2.92Å; P119-L145 HydrophobicContact CB-CB 3.86Å; P119-L145 HydrophobicContact CB-CD1 4.44Å; P119-L145 HydrophobicContact CG-CB 3.85Å; P119-K146 HydrophobicContact CG-CG 3.7Å
120D94.9Very high95.8Very high107 Ų10773.9 Ų73.957%0.57239%0.393SS*.  trans-70.8126.9169.4-17614.8000109.3S122D120-S122 VanDerWaalsContact OD1-CB 3.3Å; D120-S122 WeakPolarHBondContact OD1-CB 3.25Å; D120-S122 PolarHBondContact OD1-N 2.88Å; D120-S122 PolarHBondContact OD1-OG 2.87Å
121C95.6Very high96.1Very high31 Ų3165.5 Ų65.521%0.20936%0.357CS..  trans-122.110.4-178.2-60.10000112P119 I124 C142P119-C121 PolarHBondContact O-N 2.92Å; C121-I124 HydrophobicContact CB-CD1 3.89Å; C121-C142 HydrophobicContact CB-CB 3.66Å; C121-C142 WeakPolarHBondContact CB-SG 3.24Å; C121-C142 WeakPolarHBondContact SG-CB 3.38Å; C121-C142 CovalentContact SG-SG 2.04Å; C121-C142 PolarHBondContact SG-SG 3.31Å
122S94.9Very high96.4Very high95 Ų9559.2 Ų59.266%0.66432%0.323SS*.THydrogen-bonded Turntrans-72.7-39.5-172.1-45.50000111.8D120 I124D120-S122 VanDerWaalsContact OD1-CB 3.3Å; D120-S122 WeakPolarHBondContact OD1-CB 3.25Å; D120-S122 PolarHBondContact OD1-N 2.88Å; D120-S122 PolarHBondContact OD1-OG 2.87Å; S122-I124 VanDerWaalsContact C-N 3.32Å; S122-I124 PolarHBondContact O-N 3.29Å
123N94.8Very high96.6Very high143 Ų14358.7 Ų58.777%0.76533%0.325SS*.THydrogen-bonded Turntrans-89.210.7-176.1-66.7-18.3000114.4T125N123-T125 PolarHBondContact O-N 3.34Å
124I95.5Very high96.6Very high20 Ų2060.2 Ų60.210%0.10333%0.332CS..  trans-81.3112.1178.3-62.6173.9000108.6C121 S122 W126 K127 E141 C142 L145C121-I124 HydrophobicContact CB-CD1 3.89Å; S122-I124 VanDerWaalsContact C-N 3.32Å; S122-I124 PolarHBondContact O-N 3.29Å; I124-W126 VanDerWaalsContact CG2-O 3.27Å; I124-W126 WeakPolarHBondContact CG2-O 3.48Å; I124-K127 WeakPolarHBondContact O-CE 3.24Å; I124-K127 PolarHBondContact O-NZ 3.37Å; I124-E141 HydrophobicContact CD1-CB 4.12Å; I124-E141 HydrophobicContact CD1-CG 4.03Å; I124-E141 HydrophobicContact CG2-CB 3.94Å; I124-E141 HydrophobicContact CG2-CG 4.42Å; I124-E141 WeakPolarHBondContact CG2-OE2 3.32Å; I124-C142 HydrophobicContact CD1-CB 4.07Å; I124-L145 HydrophobicContact CD1-CD1 3.92Å
125T95.8Very high96.7Very high132 Ų13255.2 Ų55.281%0.8132%0.321SS*.  trans-79.2-42-179.153.70000112.1N123 K127N123-T125 PolarHBondContact O-N 3.34Å; T125-K127 PolarHBondContact O-N 3.2Å
126W96.1Very high96.8Very high91 Ų9158.9 Ų58.935%0.34533%0.332SS..  trans-74.6118.8178.4-179.4-102.1000111.9I124 G128 P129 Q160I124-W126 VanDerWaalsContact CG2-O 3.27Å; I124-W126 WeakPolarHBondContact CG2-O 3.48Å; W126-G128 VanDerWaalsContact NE1-C 3.28Å; W126-G128 PolarHBondContact NE1-O 3.01Å; W126-P129 PolarHBondContact NE1-O 2.9Å; W126-Q160 HydrophobicContact CD2-CB 4.19Å; W126-Q160 HydrophobicContact CD2-CG 4.06Å; W126-Q160 HydrophobicContact CG-CG 4.06Å; W126-Q160 HydrophobicContact CZ2-CB 4.1Å
127K96Very high96.9Very high146 Ų14659.4 Ų59.464%0.63534%0.335SS*.  trans-99-10.5-178.4-57.8-53.3-173.2-169.60114.4I124 T125I124-K127 WeakPolarHBondContact O-CE 3.24Å; I124-K127 PolarHBondContact O-NZ 3.37Å; T125-K127 PolarHBondContact O-N 3.2Å
128G97.6Very high96.9Very high23 Ų2359.6 Ų59.624%0.23733%0.332CS..SBendtrans-77-176.8179.100000113.7W126 N140W126-G128 VanDerWaalsContact NE1-C 3.28Å; W126-G128 PolarHBondContact NE1-O 3.01Å; G128-N140 WeakPolarHBondContact O-CA 3.25Å
129P98.6Very high97Very high40 Ų4066.8 Ų66.826%0.2635%0.353SS..  trans-65.1159.7173.828.6-33.9000111.7W126 T137 Y138 R139 G161 K162W126-P129 PolarHBondContact NE1-O 2.9Å; P129-T137 HydrophobicContact CB-CG2 4.19Å; P129-Y138 CarbonylContact C-O 3.57Å; P129-Y138 VanDerWaalsContact CA-O 3.26Å; P129-Y138 WeakPolarHBondContact CA-O 3.22Å; P129-Y138 WeakPolarHBondContact CB-O 3.41Å; P129-R139 WeakPolarHBondContact CA-O 3.19Å; P129-G161 CarbonylContact C-O 3.44Å; P129-G161 CarbonylContact O-C 3.34Å; P129-G161 VanDerWaalsContact O-CA 3.3Å; P129-G161 WeakPolarHBondContact O-CA 3.4Å; P129-G161 PolarHBondContact O-N 2.04Å; P129-K162 HydrophobicContact CB-CG 4.14Å; P129-K162 HydrophobicContact CG-CG 3.88Å
130V98.6Very high97.1Very high1 Ų167.8 Ų67.81%0.00636%0.357CS..EExtended strand (participates in β ladder)trans-134.4149.2176.3-62.40000110.4Y138 E141 L144 V157 G161V130-Y138 PolarHBondContact N-O 3.3Å; V130-Y138 PolarHBondContact O-N 3.49Å; V130-E141 HydrophobicContact CG1-CB 4.2Å; V130-L144 HydrophobicContact CG2-CB 4.24Å; V130-L144 HydrophobicContact CG2-CD1 4.02Å; V130-V157 HydrophobicContact CB-CG1 3.99Å; V130-V157 HydrophobicContact CB-CG2 3.98Å; V130-V157 HydrophobicContact CG1-CG1 4.25Å; V130-V157 HydrophobicContact CG1-CG2 4.23Å; V130-V157 HydrophobicContact CG2-CG2 3.91Å; V130-G161 CarbonylContact C-O 3.58Å; V130-G161 WeakPolarHBondContact CA-O 3.31Å; V130-G161 PolarHBondContact N-O 3.03Å
131C98.7Very high97.3Very high0 Ų065.6 Ų65.60%034%0.344CS..EExtended strand (participates in β ladder)trans-95122.9171.6-1730000109.6Q158 Y159 G161 C163C131-Q158 HydrophobicContact CB-CG 4.26Å; C131-Q158 VanDerWaalsContact O-CG 3.28Å; C131-Q158 WeakPolarHBondContact O-CG 3.47Å; C131-Q158 PolarHBondContact O-N 3.09Å; C131-Q158 PolarHBondContact SG-NE2 3.48Å; C131-Q158 VanDerWaalsContact SG-NE2 3.39Å; C131-Y159 HydrophobicContact CB-CD1 4.13Å; C131-Y159 HydrophobicContact CB-CD2 3.77Å; C131-Y159 HydrophobicContact CB-CE1 3.82Å; C131-Y159 HydrophobicContact CB-CE2 3.43Å; C131-Y159 VanDerWaalsContact CB-CE2 3.43Å; C131-Y159 HydrophobicContact CB-CG 4.12Å; C131-Y159 VanDerWaalsContact CB-CZ 3.48Å; C131-Y159 PolarHBondContact N-O 2.61Å; C131-Y159 PolarHBondContact SG-OH 3.36Å; C131-Y159 VanDerWaalsContact SG-OH 3.41Å; C131-G161 PolarHBondContact N-O 3.34Å; C131-C163 WeakPolarHBondContact CA-SG 3.3Å; C131-C163 HydrophobicContact CB-CB 4.02Å; C131-C163 WeakPolarHBondContact CB-SG 3.3Å; C131-C163 WeakPolarHBondContact SG-CA 3.47Å; C131-C163 WeakPolarHBondContact SG-CB 3.1Å; C131-C163 CovalentContact SG-SG 2.04Å; C131-C163 PolarHBondContact SG-SG 2.97Å
132G98.4Very high97.4Very high0 Ų065.2 Ų65.20%034%0.341CS..EExtended strand (participates in β ladder)trans-80.3157.5175.800000112.4D134 G135 K136 E156 Q158G132-D134 PolarHBondContact O-N 3.07Å; G132-D134 VanDerWaalsContact O-N 3.17Å; G132-G135 PolarHBondContact O-N 2.93Å; G132-K136 PolarHBondContact N-O 3.35Å; G132-E156 CarbonylContact C-O 3.6Å; G132-E156 VanDerWaalsContact CA-O 3.31Å; G132-E156 WeakPolarHBondContact CA-O 3.35Å; G132-Q158 PolarHBondContact O-NE2 3.42Å
133L97.8Very high97.5Very high81 Ų8161.6 Ų61.642%0.42432%0.317SS..THydrogen-bonded Turntrans-57.4-23.6172.5-76.8173.9000113.1G135 E156 Q158L133-G135 PolarHBondContact O-N 2.77Å; L133-E156 HydrophobicContact CD1-CB 3.69Å; L133-E156 HydrophobicContact CD1-CG 4.21Å; L133-E156 HydrophobicContact CG-CB 4.28Å; L133-E156 PolarHBondContact N-O 2.04Å; L133-Q158 HydrophobicContact CD2-CB 3.81Å; L133-Q158 HydrophobicContact CG-CB 4.35Å
134D97.3Very high97.7Very high45 Ų4554.9 Ų54.924%0.24128%0.281CS..THydrogen-bonded Turntrans-75.34.2174.267.7-14.4000113.9G132 K136 Y138 L155G132-D134 PolarHBondContact O-N 3.07Å; G132-D134 VanDerWaalsContact O-N 3.17Å; D134-K136 PolarHBondContact O-N 3.13Å; D134-K136 WeakPolarHBondContact OD1-CB 3.45Å; D134-K136 PolarHBondContact OD1-N 3.27Å; D134-K136 WeakPolarHBondContact OD2-CD 3.36Å; D134-Y138 WeakPolarHBondContact OD1-CE2 3.44Å; D134-Y138 PolarHBondContact OD2-OH 3.42Å; D134-L155 HydrophobicContact CB-CD1 3.92Å; D134-L155 VanDerWaalsContact CG-CD1 3.46Å
135G97Very high97.8Very high26 Ų2655.1 Ų55.127%0.26828%0.283SS..SBendtrans73.110.1-177.700000113.9G132 L133 C163G132-G135 PolarHBondContact O-N 2.93Å; L133-G135 PolarHBondContact O-N 2.77Å; G135-C163 VanDerWaalsContact C-SG 3.5Å; G135-C163 PolarHBondContact O-SG 3.26Å; G135-C163 VanDerWaalsContact O-SG 3.38Å
136K98.1Very high97.9Very high120 Ų12052.7 Ų52.752%0.52226%0.261SS..PPolyproline II helixtrans-99.8142.6-179.9-61.2-175.7-173.1172.10111.9G132 D134 Y138 C163G132-K136 PolarHBondContact N-O 3.35Å; D134-K136 PolarHBondContact O-N 3.13Å; D134-K136 WeakPolarHBondContact OD1-CB 3.45Å; D134-K136 PolarHBondContact OD1-N 3.27Å; D134-K136 WeakPolarHBondContact OD2-CD 3.36Å; K136-Y138 HydrophobicContact CB-CE2 3.87Å; K136-Y138 VanDerWaalsContact O-CD2 3.3Å; K136-Y138 WeakPolarHBondContact O-CD2 3.41Å; K136-C163 PolarHBondContact O-SG 2.87Å
137T98.6Very high98Very high66 Ų6649.5 Ų49.541%0.40525%0.253SS..EExtended strand (participates in β ladder)trans-81.9123.6172.1-63.20000109.8P129 K162 C163P129-T137 HydrophobicContact CB-CG2 4.19Å; T137-K162 HydrophobicContact CG2-CB 3.94Å; T137-K162 HydrophobicContact CG2-CG 3.87Å; T137-C163 PolarHBondContact OG1-N 2.82Å
138Y98.6Very high98Very high33 Ų3347.1 Ų47.113%0.12924%0.24CC..EExtended strand (participates in β ladder)trans-102.7139.2171.3-67.1-95.1000109.3P129 V130 D134 K136 N140 L144 A147 L155P129-Y138 CarbonylContact C-O 3.57Å; P129-Y138 VanDerWaalsContact CA-O 3.26Å; P129-Y138 WeakPolarHBondContact CA-O 3.22Å; P129-Y138 WeakPolarHBondContact CB-O 3.41Å; V130-Y138 PolarHBondContact N-O 3.3Å; V130-Y138 PolarHBondContact O-N 3.49Å; D134-Y138 WeakPolarHBondContact OD1-CE2 3.44Å; D134-Y138 PolarHBondContact OD2-OH 3.42Å; K136-Y138 HydrophobicContact CB-CE2 3.87Å; K136-Y138 VanDerWaalsContact O-CD2 3.3Å; K136-Y138 WeakPolarHBondContact O-CD2 3.41Å; Y138-N140 PolarHBondContact O-N 2.87Å; Y138-L144 HydrophobicContact CD1-CB 3.98Å; Y138-L144 HydrophobicContact CD2-CB 4.1Å; Y138-L144 HydrophobicContact CD2-CD1 3.7Å; Y138-L144 HydrophobicContact CD2-CG 4.07Å; Y138-L144 HydrophobicContact CE2-CD1 4.08Å; Y138-L144 HydrophobicContact CE2-CG 4.28Å; Y138-L144 HydrophobicContact CG-CB 3.74Å; Y138-L144 HydrophobicContact CG-CD1 4.21Å; Y138-L144 HydrophobicContact CG-CG 4.21Å; Y138-A147 HydrophobicContact CD1-CB 4.45Å; Y138-A147 HydrophobicContact CE1-CB 3.59Å; Y138-L155 HydrophobicContact CE1-CD2 4.24Å; Y138-L155 HydrophobicContact CE2-CD1 4.24Å; Y138-L155 HydrophobicContact CE2-CD2 4.18Å; Y138-L155 VanDerWaalsContact OH-CD2 3.3Å; Y138-L155 WeakPolarHBondContact OH-CD2 3.44Å
139R98.4Very high98Very high181 Ų18147.7 Ų47.768%0.68324%0.241SC*.SBendtrans-54.8-26.8-179.866.2173.6-174.1166.12.2114.1P129 A143P129-R139 WeakPolarHBondContact CA-O 3.19Å; R139-A143 HydrophobicContact CG-CB 3.62Å
140N98.3Very high97.9Very high43 Ų4353 Ų5323%0.2326%0.259CS..SBendtrans-169.6169.9171.751.951.5000110.1G128 Y138 C142 A143 L144G128-N140 WeakPolarHBondContact O-CA 3.25Å; Y138-N140 PolarHBondContact O-N 2.87Å; N140-C142 VanDerWaalsContact C-N 3.34Å; N140-C142 PolarHBondContact O-N 3.33Å; N140-C142 PolarHBondContact OD1-N 2.88Å; N140-A143 WeakPolarHBondContact O-CB 3.07Å; N140-A143 PolarHBondContact O-N 2.77Å; N140-A143 VanDerWaalsContact O-N 3.1Å; N140-A143 PolarHBondContact OD1-N 3.5Å; N140-L144 PolarHBondContact O-N 3.23Å
141E98.4Very high97.7Very high60 Ų6060.3 Ų60.328%0.2829%0.294SS..Hα-helixtrans-60.3-38-179.2-174.9176.1163.100113.2I124 V130 A143 L144 L145 V157I124-E141 HydrophobicContact CD1-CB 4.12Å; I124-E141 HydrophobicContact CD1-CG 4.03Å; I124-E141 HydrophobicContact CG2-CB 3.94Å; I124-E141 HydrophobicContact CG2-CG 4.42Å; I124-E141 WeakPolarHBondContact CG2-OE2 3.32Å; V130-E141 HydrophobicContact CG1-CB 4.2Å; E141-A143 VanDerWaalsContact C-N 3.25Å; E141-A143 PolarHBondContact O-N 2.99Å; E141-L144 WeakPolarHBondContact O-CA 3.28Å; E141-L144 WeakPolarHBondContact O-CB 3.45Å; E141-L144 PolarHBondContact O-N 3.33Å; E141-L144 VanDerWaalsContact O-N 3.07Å; E141-L145 HydrophobicContact CG-CD1 4.47Å; E141-L145 HydrophobicContact CG-CG 4.45Å; E141-L145 WeakPolarHBondContact O-CG 3.43Å; E141-L145 PolarHBondContact O-N 3.39Å; E141-V157 HydrophobicContact CG-CG2 3.98Å
142C97.7Very high97.6Very high24 Ų2463.4 Ų63.416%0.16231%0.308CS..Hα-helixtrans-62.6-32.8176.5-172.80000112.6C121 I124 N140 K146C121-C142 HydrophobicContact CB-CB 3.66Å; C121-C142 WeakPolarHBondContact CB-SG 3.24Å; C121-C142 WeakPolarHBondContact SG-CB 3.38Å; C121-C142 CovalentContact SG-SG 2.04Å; C121-C142 PolarHBondContact SG-SG 3.31Å; I124-C142 HydrophobicContact CD1-CB 4.07Å; N140-C142 VanDerWaalsContact C-N 3.34Å; N140-C142 PolarHBondContact O-N 3.33Å; N140-C142 PolarHBondContact OD1-N 2.88Å; C142-K146 WeakPolarHBondContact O-CG 2.97Å; C142-K146 PolarHBondContact O-N 3.39Å
143A98Very high97.4Very high19 Ų1968.8 Ų68.816%0.15734%0.343CS..Hα-helixtrans-68.7-40.7173.700000111.5R139 N140 E141 K146 A147R139-A143 HydrophobicContact CG-CB 3.62Å; N140-A143 WeakPolarHBondContact O-CB 3.07Å; N140-A143 PolarHBondContact O-N 2.77Å; N140-A143 VanDerWaalsContact O-N 3.1Å; N140-A143 PolarHBondContact OD1-N 3.5Å; E141-A143 VanDerWaalsContact C-N 3.25Å; E141-A143 PolarHBondContact O-N 2.99Å; A143-K146 WeakPolarHBondContact O-CB 3.48Å; A143-K146 PolarHBondContact O-N 3.1Å; A143-A147 PolarHBondContact O-N 3.03Å
144L98.4Very high97.4Very high2 Ų273.2 Ų73.21%0.0136%0.362CS..Hα-helixtrans-61.2-48.7173.6-175.7152.6000111.1V130 Y138 N140 E141 K146 A147 R148 L155 V157V130-L144 HydrophobicContact CG2-CB 4.24Å; V130-L144 HydrophobicContact CG2-CD1 4.02Å; Y138-L144 HydrophobicContact CD1-CB 3.98Å; Y138-L144 HydrophobicContact CD2-CB 4.1Å; Y138-L144 HydrophobicContact CD2-CD1 3.7Å; Y138-L144 HydrophobicContact CD2-CG 4.07Å; Y138-L144 HydrophobicContact CE2-CD1 4.08Å; Y138-L144 HydrophobicContact CE2-CG 4.28Å; Y138-L144 HydrophobicContact CG-CB 3.74Å; Y138-L144 HydrophobicContact CG-CD1 4.21Å; Y138-L144 HydrophobicContact CG-CG 4.21Å; N140-L144 PolarHBondContact O-N 3.23Å; E141-L144 WeakPolarHBondContact O-CA 3.28Å; E141-L144 WeakPolarHBondContact O-CB 3.45Å; E141-L144 PolarHBondContact O-N 3.33Å; E141-L144 VanDerWaalsContact O-N 3.07Å; L144-K146 PolarHBondContact O-N 3.38Å; L144-A147 CarbonylContact O-C 3.55Å; L144-A147 WeakPolarHBondContact O-CA 3.38Å; L144-A147 WeakPolarHBondContact O-CB 3.47Å; L144-A147 PolarHBondContact O-N 3.23Å; L144-R148 PolarHBondContact O-N 3.31Å; L144-L155 HydrophobicContact CD1-CD1 4.44Å; L144-L155 HydrophobicContact CD1-CG 4.34Å; L144-L155 HydrophobicContact CD2-CD2 4.3Å; L144-L155 HydrophobicContact CD2-CG 3.95Å; L144-L155 HydrophobicContact CG-CD1 4.49Å; L144-L155 HydrophobicContact CG-CD2 3.93Å; L144-L155 HydrophobicContact CG-CG 3.89Å; L144-V157 HydrophobicContact CD1-CG2 3.78Å; L144-V157 HydrophobicContact CD2-CG2 4.37Å
145L97.8Very high97.4Very high25 Ų2571.3 Ų71.313%0.13135%0.351CS..Hα-helixtrans-59.6-32.7178.2-65.5175.7000112.8P119 I124 E141 C149P119-L145 HydrophobicContact CB-CB 3.86Å; P119-L145 HydrophobicContact CB-CD1 4.44Å; P119-L145 HydrophobicContact CG-CB 3.85Å; I124-L145 HydrophobicContact CD1-CD1 3.92Å; E141-L145 HydrophobicContact CG-CD1 4.47Å; E141-L145 HydrophobicContact CG-CG 4.45Å; E141-L145 WeakPolarHBondContact O-CG 3.43Å; E141-L145 PolarHBondContact O-N 3.39Å; L145-C149 PolarHBondContact O-N 3.48Å; L145-C149 VanDerWaalsContact O-N 3.1Å
146K97.3Very high97.5Very high81 Ų8175.4 Ų75.435%0.35236%0.364SS..Hα-helixtrans-69.1-41.3173-75.9172.6-177.3173.50111.9P119 C142 A143 L144 K150P119-K146 HydrophobicContact CG-CG 3.7Å; C142-K146 WeakPolarHBondContact O-CG 2.97Å; C142-K146 PolarHBondContact O-N 3.39Å; A143-K146 WeakPolarHBondContact O-CB 3.48Å; A143-K146 PolarHBondContact O-N 3.1Å; L144-K146 PolarHBondContact O-N 3.38Å; K146-K150 WeakPolarHBondContact O-CG 3.03Å; K146-K150 PolarHBondContact O-N 3.31Å
147A97.6Very high97.5Very high23 Ų2371.9 Ų71.919%0.1935%0.352CS..Hα-helixtrans-63.9-43.7174.300000111.1Y138 A143 L144 C149 K150 E151 L155Y138-A147 HydrophobicContact CD1-CB 4.45Å; Y138-A147 HydrophobicContact CE1-CB 3.59Å; A143-A147 PolarHBondContact O-N 3.03Å; L144-A147 CarbonylContact O-C 3.55Å; L144-A147 WeakPolarHBondContact O-CA 3.38Å; L144-A147 WeakPolarHBondContact O-CB 3.47Å; L144-A147 PolarHBondContact O-N 3.23Å; A147-C149 VanDerWaalsContact C-N 3.34Å; A147-C149 PolarHBondContact O-N 2.91Å; A147-K150 PolarHBondContact O-N 3.05Å; A147-E151 PolarHBondContact O-N 2.92Å; A147-L155 HydrophobicContact CB-CD2 3.84Å
148R97.9Very high97.5Very high96 Ų9669.1 Ų69.136%0.36234%0.335SS..Hα-helixtrans-52.9-49.6174.5-175-176.768.4157.3-5.8112.3L144 K150 Q152 L155L144-R148 PolarHBondContact O-N 3.31Å; R148-K150 VanDerWaalsContact C-N 3.3Å; R148-K150 PolarHBondContact O-N 3.31Å; R148-Q152 WeakPolarHBondContact CA-O 3.5Å; R148-Q152 VanDerWaalsContact CG-O 3.29Å; R148-Q152 WeakPolarHBondContact CG-O 3.15Å; R148-Q152 CarbonylContact O-C 3.22Å; R148-Q152 PolarHBondContact O-N 2.04Å; R148-L155 HydrophobicContact CB-CB 4.12Å; R148-L155 HydrophobicContact CB-CD2 4.5Å; R148-L155 WeakPolarHBondContact CD-O 3.28Å; R148-L155 HydrophobicContact CG-CB 4.28Å; R148-L155 WeakPolarHBondContact CG-O 3.31Å
149C97.3Very high97.5Very high36 Ų3667.9 Ų67.924%0.24333%0.33CS..Hα-helixtrans-66.4-29.1179.4169.30000113.9K103 C117 L145 A147K103-C149 WeakPolarHBondContact CE-SG 3.22Å; C117-C149 WeakPolarHBondContact CA-SG 3.32Å; C117-C149 HydrophobicContact CB-CB 3.67Å; C117-C149 WeakPolarHBondContact CB-SG 3.46Å; C117-C149 WeakPolarHBondContact SG-CB 3.46Å; C117-C149 PolarHBondContact SG-O 2.85Å; C117-C149 VanDerWaalsContact SG-O 3.37Å; C117-C149 CovalentContact SG-SG 2.04Å; C117-C149 PolarHBondContact SG-SG 3.3Å; L145-C149 PolarHBondContact O-N 3.48Å; L145-C149 VanDerWaalsContact O-N 3.1Å; A147-C149 VanDerWaalsContact C-N 3.34Å; A147-C149 PolarHBondContact O-N 2.91Å
150K95.4Very high97.5Very high150 Ų15064.8 Ų64.865%0.65232%0.323SS*.Hα-helixtrans-84-46-175.9-78.3-178.6175.1-173.70112.9C117 K146 A147 R148C117-K150 HydrophobicContact CB-CG 4.3Å; K146-K150 WeakPolarHBondContact O-CG 3.03Å; K146-K150 PolarHBondContact O-N 3.31Å; A147-K150 PolarHBondContact O-N 3.05Å; R148-K150 VanDerWaalsContact C-N 3.3Å; R148-K150 PolarHBondContact O-N 3.31Å
151E94.4Very high97.4Very high156 Ų15663.6 Ų63.673%0.72932%0.321SS*.THydrogen-bonded Turntrans-135.8-37-161.4-74.1167.8-154.600113.7A147A147-E151 PolarHBondContact O-N 2.92Å
152Q96.2Very high97.4Very high65 Ų6567.6 Ų67.630%0.30434%0.338SS..  trans-128.487.9-168.2-63.4-176.46.100111.7R148 E154 L155R148-Q152 WeakPolarHBondContact CA-O 3.5Å; R148-Q152 VanDerWaalsContact CG-O 3.29Å; R148-Q152 WeakPolarHBondContact CG-O 3.15Å; R148-Q152 CarbonylContact O-C 3.22Å; R148-Q152 PolarHBondContact O-N 2.04Å; Q152-E154 PolarHBondContact O-N 3.38Å; Q152-E154 VanDerWaalsContact O-N 3.13Å; Q152-L155 HydrophobicContact CB-CB 3.77Å; Q152-L155 HydrophobicContact CB-CD2 4.48Å; Q152-L155 VanDerWaalsContact O-CB 3.26Å; Q152-L155 WeakPolarHBondContact O-CB 3.27Å; Q152-L155 PolarHBondContact O-N 3.39Å
153P95.6Very high97.5Very high113 Ų11368.1 Ų68.173%0.73434%0.341SS*.THydrogen-bonded Turntrans-57.3-29.7-175.1-27.335.9000115.2
154E96.8Very high97.5Very high174 Ų17471 Ų7181%0.81335%0.35SS*.THydrogen-bonded Turntrans-90.12-178.8-58.5-176.1142.300113.6Q152 E156Q152-E154 PolarHBondContact O-N 3.38Å; Q152-E154 VanDerWaalsContact O-N 3.13Å; E154-E156 PolarHBondContact O-N 3.41Å
155L98.2Very high97.4Very high4 Ų476.9 Ų76.92%0.02138%0.376CS..  trans-70.7118.1-177.7177.764.9000111.1D134 Y138 L144 A147 R148 Q152D134-L155 HydrophobicContact CB-CD1 3.92Å; D134-L155 VanDerWaalsContact CG-CD1 3.46Å; Y138-L155 HydrophobicContact CE1-CD2 4.24Å; Y138-L155 HydrophobicContact CE2-CD1 4.24Å; Y138-L155 HydrophobicContact CE2-CD2 4.18Å; Y138-L155 VanDerWaalsContact OH-CD2 3.3Å; Y138-L155 WeakPolarHBondContact OH-CD2 3.44Å; L144-L155 HydrophobicContact CD1-CD1 4.44Å; L144-L155 HydrophobicContact CD1-CG 4.34Å; L144-L155 HydrophobicContact CD2-CD2 4.3Å; L144-L155 HydrophobicContact CD2-CG 3.95Å; L144-L155 HydrophobicContact CG-CD1 4.49Å; L144-L155 HydrophobicContact CG-CD2 3.93Å; L144-L155 HydrophobicContact CG-CG 3.89Å; A147-L155 HydrophobicContact CB-CD2 3.84Å; R148-L155 HydrophobicContact CB-CB 4.12Å; R148-L155 HydrophobicContact CB-CD2 4.5Å; R148-L155 WeakPolarHBondContact CD-O 3.28Å; R148-L155 HydrophobicContact CG-CB 4.28Å; R148-L155 WeakPolarHBondContact CG-O 3.31Å; Q152-L155 HydrophobicContact CB-CB 3.77Å; Q152-L155 HydrophobicContact CB-CD2 4.48Å; Q152-L155 VanDerWaalsContact O-CB 3.26Å; Q152-L155 WeakPolarHBondContact O-CB 3.27Å; Q152-L155 PolarHBondContact O-N 3.39Å
156E98.1Very high97.3Very high112 Ų11279.1 Ų79.152%0.52339%0.391SS..  trans-128.9165.2176.3-55.9-172.7156.300111.4G132 L133 E154G132-E156 CarbonylContact C-O 3.6Å; G132-E156 VanDerWaalsContact CA-O 3.31Å; G132-E156 WeakPolarHBondContact CA-O 3.35Å; L133-E156 HydrophobicContact CD1-CB 3.69Å; L133-E156 HydrophobicContact CD1-CG 4.21Å; L133-E156 HydrophobicContact CG-CB 4.28Å; L133-E156 PolarHBondContact N-O 2.04Å; E154-E156 PolarHBondContact O-N 3.41Å
157V98.4Very high97.4Very high47 Ų4777.3 Ų77.329%0.28539%0.388SS..EExtended strand (participates in β ladder)trans-75.1126169.7176.30000108.2V130 E141 L144 Y159V130-V157 HydrophobicContact CB-CG1 3.99Å; V130-V157 HydrophobicContact CB-CG2 3.98Å; V130-V157 HydrophobicContact CG1-CG1 4.25Å; V130-V157 HydrophobicContact CG1-CG2 4.23Å; V130-V157 HydrophobicContact CG2-CG2 3.91Å; E141-V157 HydrophobicContact CG-CG2 3.98Å; L144-V157 HydrophobicContact CD1-CG2 3.78Å; L144-V157 HydrophobicContact CD2-CG2 4.37Å; V157-Y159 WeakPolarHBondContact CG1-O 3.48Å
158Q98.3Very high97.3Very high8 Ų885.5 Ų85.54%0.03741%0.414CS..EExtended strand (participates in β ladder)trans-94.5-31.1171.653.4166.2-31.700113.5C131 G132 L133 P173 C188C131-Q158 HydrophobicContact CB-CG 4.26Å; C131-Q158 VanDerWaalsContact O-CG 3.28Å; C131-Q158 WeakPolarHBondContact O-CG 3.47Å; C131-Q158 PolarHBondContact O-N 3.09Å; C131-Q158 PolarHBondContact SG-NE2 3.48Å; C131-Q158 VanDerWaalsContact SG-NE2 3.39Å; G132-Q158 PolarHBondContact O-NE2 3.42Å; L133-Q158 HydrophobicContact CD2-CB 3.81Å; L133-Q158 HydrophobicContact CG-CB 4.35Å; Q158-P173 VanDerWaalsContact O-CD 3.22Å; Q158-P173 WeakPolarHBondContact O-CD 3.46Å; Q158-P173 WeakPolarHBondContact O-CG 3.29Å; Q158-C188 WeakPolarHBondContact O-CB 3.5Å
159Y98.4Very high97.1Very high7 Ų786.6 Ų86.63%0.02743%0.427CS..EExtended strand (participates in β ladder)trans-159.3160.4170.755.4-91.5000111.9C131 V157 K162 C163 K164 V170 A186 C188C131-Y159 HydrophobicContact CB-CD1 4.13Å; C131-Y159 HydrophobicContact CB-CD2 3.77Å; C131-Y159 HydrophobicContact CB-CE1 3.82Å; C131-Y159 HydrophobicContact CB-CE2 3.43Å; C131-Y159 VanDerWaalsContact CB-CE2 3.43Å; C131-Y159 HydrophobicContact CB-CG 4.12Å; C131-Y159 VanDerWaalsContact CB-CZ 3.48Å; C131-Y159 PolarHBondContact N-O 2.61Å; C131-Y159 PolarHBondContact SG-OH 3.36Å; C131-Y159 VanDerWaalsContact SG-OH 3.41Å; V157-Y159 WeakPolarHBondContact CG1-O 3.48Å; Y159-K162 WeakPolarHBondContact CE2-O 3.3Å; Y159-C163 VanDerWaalsContact OH-CA 3.28Å; Y159-C163 WeakPolarHBondContact OH-CA 3.47Å; Y159-K164 PolarHBondContact OH-N 3.17Å; Y159-V170 HydrophobicContact CD1-CG1 4.28Å; Y159-V170 HydrophobicContact CD2-CG1 4.35Å; Y159-V170 HydrophobicContact CE1-CG1 4.32Å; Y159-V170 HydrophobicContact CE2-CG1 4.39Å; Y159-V170 HydrophobicContact CG-CG1 4.28Å; Y159-A186 WeakPolarHBondContact CE1-O 3.37Å; Y159-A186 PolarHBondContact OH-O 3.46Å; Y159-A186 VanDerWaalsContact OH-O 3.09Å; Y159-C188 HydrophobicContact CD1-CB 4.18Å; Y159-C188 VanDerWaalsContact CD1-SG 3.52Å
160Q98.3Very high97.1Very high115 Ų11585.7 Ų85.754%0.53742%0.42SS..EExtended strand (participates in β ladder)trans-78.2146.1176.4-67.4177.1-1.400111.1W126W126-Q160 HydrophobicContact CD2-CB 4.19Å; W126-Q160 HydrophobicContact CD2-CG 4.06Å; W126-Q160 HydrophobicContact CG-CG 4.06Å; W126-Q160 HydrophobicContact CZ2-CB 4.1Å
161G98Very high97.2Very high19 Ų1986 Ų8620%0.19643%0.428CS..SBendtrans99.2-176.1-17500000113.1P129 V130 C131P129-G161 CarbonylContact C-O 3.44Å; P129-G161 CarbonylContact O-C 3.34Å; P129-G161 VanDerWaalsContact O-CA 3.3Å; P129-G161 WeakPolarHBondContact O-CA 3.4Å; P129-G161 PolarHBondContact O-N 2.04Å; V130-G161 CarbonylContact C-O 3.58Å; V130-G161 WeakPolarHBondContact CA-O 3.31Å; V130-G161 PolarHBondContact N-O 3.03Å; C131-G161 PolarHBondContact N-O 3.34Å
162K98.4Very high97.4Very high143 Ų14379.9 Ų79.962%0.62240%0.402SS*.SBendtrans-75.1152.7174.1-57.2-174.1179.8172.80110.1P129 T137 Y159P129-K162 HydrophobicContact CB-CG 4.14Å; P129-K162 HydrophobicContact CG-CG 3.88Å; T137-K162 HydrophobicContact CG2-CB 3.94Å; T137-K162 HydrophobicContact CG2-CG 3.87Å; Y159-K162 WeakPolarHBondContact CE2-O 3.3Å
163C98.3Very high97.4Very high35 Ų3580.2 Ų80.224%0.23641%0.41CS..  trans-62.4140.2171.3-59.80000110.9C131 G135 K136 T137 Y159C131-C163 WeakPolarHBondContact CA-SG 3.3Å; C131-C163 HydrophobicContact CB-CB 4.02Å; C131-C163 WeakPolarHBondContact CB-SG 3.3Å; C131-C163 WeakPolarHBondContact SG-CA 3.47Å; C131-C163 WeakPolarHBondContact SG-CB 3.1Å; C131-C163 CovalentContact SG-SG 2.04Å; C131-C163 PolarHBondContact SG-SG 2.97Å; G135-C163 VanDerWaalsContact C-SG 3.5Å; G135-C163 PolarHBondContact O-SG 3.26Å; G135-C163 VanDerWaalsContact O-SG 3.38Å; K136-C163 PolarHBondContact O-SG 2.87Å; T137-C163 PolarHBondContact OG1-N 2.82Å; Y159-C163 VanDerWaalsContact OH-CA 3.28Å; Y159-C163 WeakPolarHBondContact OH-CA 3.47Å
164K98Very high97.4Very high80 Ų8079 Ų7935%0.34842%0.418SS..  trans-115157.4-176.4-60.3-161.9176.3-173.30112.5Y159 D169 V170 A186Y159-K164 PolarHBondContact OH-N 3.17Å; K164-D169 PolarHBondContact NZ-O 2.83Å; K164-V170 HydrophobicContact CB-CG2 3.91Å; K164-V170 HydrophobicContact CD-CG2 3.75Å; K164-V170 HydrophobicContact CG-CG2 4.09Å; K164-A186 HydrophobicContact CB-CB 4.44Å; K164-A186 WeakPolarHBondContact O-CB 3.45Å; K164-A186 PolarHBondContact O-N 2.77Å
165K96.3Very high97.4Very high125 Ų12575 Ų7554%0.54341%0.409SS..SBendtrans-92.82.5177.1-73.5-63.2-164.7176.40114.2T183 N184 N185K165-T183 PolarHBondContact NZ-O 2.94Å; K165-N184 CarbonylContact C-O 3.58Å; K165-N184 VanDerWaalsContact CA-O 3.24Å; K165-N184 WeakPolarHBondContact CA-O 3.48Å; K165-N184 CarbonylContact O-C 3.56Å; K165-N184 VanDerWaalsContact O-CB 3.25Å; K165-N184 WeakPolarHBondContact O-CB 3.32Å; K165-N185 WeakPolarHBondContact CD-OD1 3.04Å; K165-N185 WeakPolarHBondContact CE-OD1 3.42Å; K165-N185 PolarHBondContact NZ-OD1 3.49Å
166T96.6Very high97.3Very high73 Ų7376.4 Ų76.445%0.44842%0.419SS..SBendtrans-151.5166.3170.366.50000108R168 V170 A186T166-R168 PolarHBondContact O-N 2.03Å; T166-R168 WeakPolarHBondContact OG1-CB 3.42Å; T166-R168 PolarHBondContact OG1-N 2.97Å; T166-V170 WeakPolarHBondContact O-CG2 3.02Å; T166-A186 WeakPolarHBondContact O-CB 3.29Å
167C98.1Very high97.3Very high43 Ų4372.4 Ų72.429%0.29140%0.402SS..SBendtrans-752.1171.1-74.70000114.1D169 V170 C178 V179C167-D169 PolarHBondContact O-N 2.9Å; C167-V170 PolarHBondContact O-N 2.98Å; C167-C178 WeakPolarHBondContact CA-SG 3.29Å; C167-C178 HydrophobicContact CB-CB 3.72Å; C167-C178 WeakPolarHBondContact CB-SG 3.49Å; C167-C178 WeakPolarHBondContact SG-CB 3.04Å; C167-C178 CovalentContact SG-SG 2.04Å; C167-C178 PolarHBondContact SG-SG 3.43Å; C167-V179 PolarHBondContact SG-N 2.82Å
168R95.9Very high97.3Very high194 Ų19471 Ų7173%0.73240%0.395SS*.THydrogen-bonded Turntrans-66.3125.6175.4-168.9178175.2170.8-1.2109.1T166 V170T166-R168 PolarHBondContact O-N 2.03Å; T166-R168 WeakPolarHBondContact OG1-CB 3.42Å; T166-R168 PolarHBondContact OG1-N 2.97Å; R168-V170 PolarHBondContact O-N 3.45Å
169D94.1Very high97.3Very high120 Ų12071.9 Ų71.964%0.64240%0.4SS*.THydrogen-bonded Turntrans56.831-179.2-46.6-44000113.8K164 C167K164-D169 PolarHBondContact NZ-O 2.83Å; C167-D169 PolarHBondContact O-N 2.9Å
170V97.6Very high97.3Very high17 Ų1772.9 Ų72.910%0.10341%0.407CS..  trans-98.5115.1167.6178.10000108.2Y159 K164 T166 C167 R168 C178 A186Y159-V170 HydrophobicContact CD1-CG1 4.28Å; Y159-V170 HydrophobicContact CD2-CG1 4.35Å; Y159-V170 HydrophobicContact CE1-CG1 4.32Å; Y159-V170 HydrophobicContact CE2-CG1 4.39Å; Y159-V170 HydrophobicContact CG-CG1 4.28Å; K164-V170 HydrophobicContact CB-CG2 3.91Å; K164-V170 HydrophobicContact CD-CG2 3.75Å; K164-V170 HydrophobicContact CG-CG2 4.09Å; T166-V170 WeakPolarHBondContact O-CG2 3.02Å; C167-V170 PolarHBondContact O-N 2.98Å; R168-V170 PolarHBondContact O-N 3.45Å; V170-C178 HydrophobicContact CG1-CB 4.37Å; V170-A186 HydrophobicContact CG2-CB 4.01Å
171L97.1Very high97.3Very high156 Ų15669 Ų6982%0.81739%0.39SS*.  trans-98.8103.1175.7-62.8177.6000109.2
172C98.1Very high97Very high28 Ų2876.3 Ų76.319%0.18942%0.419CS..  trans-74.9138.9177.5-68.20000111.7S176 C178 C188C172-S176 VanDerWaalsContact CB-O 3.28Å; C172-S176 WeakPolarHBondContact CB-O 3.27Å; C172-C178 VanDerWaalsContact SG-CA 3.6Å; C172-C178 PolarHBondContact SG-N 2.84Å; C172-C178 VanDerWaalsContact SG-N 3.42Å; C172-C188 WeakPolarHBondContact CA-SG 3.49Å; C172-C188 HydrophobicContact CB-CB 3.7Å; C172-C188 WeakPolarHBondContact CB-SG 3.37Å; C172-C188 WeakPolarHBondContact SG-CA 3.3Å; C172-C188 WeakPolarHBondContact SG-CB 3.42Å; C172-C188 CovalentContact SG-SG 2.04Å; C172-C188 PolarHBondContact SG-SG 3.06Å
173P97.1Very high96.8Very high71 Ų7173 Ų7346%0.46141%0.411SS..SBendtrans-70.8146.6179.629.3-34.4000111.6Q158 S175 S176Q158-P173 VanDerWaalsContact O-CD 3.22Å; Q158-P173 WeakPolarHBondContact O-CD 3.46Å; Q158-P173 WeakPolarHBondContact O-CG 3.29Å; P173-S175 PolarHBondContact O-N 3.4Å; P173-S176 WeakPolarHBondContact O-CB 3.47Å; P173-S176 PolarHBondContact O-N 3.02Å; P173-S176 PolarHBondContact O-OG 3.07Å
174G96.2Very high96.6Very high87 Ų8775.8 Ų75.890%0.89742%0.424SS*.THydrogen-bonded Turntrans61.2-124173.300000113.3
175S95.1Very high96.6Very high91 Ų9173.9 Ų73.964%0.63642%0.417SS*.THydrogen-bonded Turntrans-1039.1-179.659.90000113.7P173P173-S175 PolarHBondContact O-N 3.4Å
176S97.6Very high96.7Very high33 Ų3368.1 Ų68.123%0.23139%0.393CS..  trans-69.8149.4177.7-60.80000111.2C172 P173 V189C172-S176 VanDerWaalsContact CB-O 3.28Å; C172-S176 WeakPolarHBondContact CB-O 3.27Å; P173-S176 WeakPolarHBondContact O-CB 3.47Å; P173-S176 PolarHBondContact O-N 3.02Å; P173-S176 PolarHBondContact O-OG 3.07Å; S176-V189 CarbonylContact C-O 3.53Å; S176-V189 VanDerWaalsContact CA-O 3.32Å; S176-V189 WeakPolarHBondContact CA-O 3.4Å
177T97.9Very high96.8Very high28 Ų2867 Ų6717%0.17238%0.381CS..EExtended strand (participates in β ladder)trans-112.7143.2179.3-59.40000109.2V189 C224T177-V189 PolarHBondContact N-O 3.05Å; T177-V189 PolarHBondContact O-N 2.95Å; T177-C224 WeakPolarHBondContact CG2-O 3.4Å
178C98.6Very high96.8Very high19 Ų1965.5 Ų65.513%0.12837%0.371CS..EExtended strand (participates in β ladder)trans-77.9132.2174.2-171.80000111.1C167 V170 C172 Y187 G227C167-C178 WeakPolarHBondContact CA-SG 3.29Å; C167-C178 HydrophobicContact CB-CB 3.72Å; C167-C178 WeakPolarHBondContact CB-SG 3.49Å; C167-C178 WeakPolarHBondContact SG-CB 3.04Å; C167-C178 CovalentContact SG-SG 2.04Å; C167-C178 PolarHBondContact SG-SG 3.43Å; V170-C178 HydrophobicContact CG1-CB 4.37Å; C172-C178 VanDerWaalsContact SG-CA 3.6Å; C172-C178 PolarHBondContact SG-N 2.84Å; C172-C178 VanDerWaalsContact SG-N 3.42Å; C178-Y187 CarbonylContact C-O 3.33Å; C178-Y187 VanDerWaalsContact CA-O 3.29Å; C178-Y187 WeakPolarHBondContact CA-O 3.48Å; C178-G227 VanDerWaalsContact O-CA 3.27Å; C178-G227 WeakPolarHBondContact O-CA 3.06Å
179V98.5Very high96.9Very high25 Ų2558.7 Ų58.715%0.15235%0.35CS..EExtended strand (participates in β ladder)trans-130.5155.6172.3-58.50000110.2C167 A186 Y187 V189 G227C167-V179 PolarHBondContact SG-N 2.82Å; V179-A186 CarbonylContact O-C 3.52Å; V179-A186 WeakPolarHBondContact O-CA 3.1Å; V179-Y187 PolarHBondContact N-O 2.98Å; V179-Y187 PolarHBondContact O-N 2.83Å; V179-V189 HydrophobicContact CB-CG2 4.3Å; V179-V189 HydrophobicContact CG1-CG2 3.62Å; V179-V189 HydrophobicContact CG2-CB 4.46Å; V179-V189 HydrophobicContact CG2-CG1 3.94Å; V179-V189 HydrophobicContact CG2-CG2 3.63Å; V179-G227 CarbonylContact C-O 3.59Å; V179-G227 VanDerWaalsContact CA-O 3.31Å; V179-G227 WeakPolarHBondContact CA-O 3.26Å
180V98.3Very high97.1Very high28 Ų2858 Ų5817%0.1735%0.351CS..EExtended strand (participates in β ladder)trans-112.8148.3171.4-61.70000112.8N185 A186 G227 R228V180-N185 VanDerWaalsContact CA-O 3.27Å; V180-N185 WeakPolarHBondContact CA-O 3.42Å; V180-A186 HydrophobicContact CG1-CB 4.45Å; V180-G227 PolarHBondContact N-O 3.23Å; V180-R228 HydrophobicContact CG2-CB 3.99Å
181D96.6Very high97.1Very high33 Ų3357.7 Ų57.718%0.17635%0.349CS..  trans-84.7-178.2170.675.412.8000112.7T183 N184 N185 Y187D181-T183 PolarHBondContact O-N 3.24Å; D181-T183 VanDerWaalsContact OD1-CA 3.24Å; D181-T183 WeakPolarHBondContact OD1-CA 3.49Å; D181-T183 PolarHBondContact OD1-N 3.07Å; D181-T183 PolarHBondContact OD1-OG1 3.32Å; D181-T183 PolarHBondContact OD2-OG1 3.05Å; D181-N184 WeakPolarHBondContact O-CA 3.36Å; D181-N184 PolarHBondContact O-N 3.1Å; D181-N184 PolarHBondContact OD1-N 3.36Å; D181-N185 PolarHBondContact N-O 2.97Å; D181-N185 PolarHBondContact OD1-N 2.94Å; D181-N185 WeakPolarHBondContact OD2-CB 3.33Å; D181-N185 PolarHBondContact OD2-ND2 2.86Å; D181-Y187 HydrophobicContact CB-CD2 4.5Å; D181-Y187 HydrophobicContact CB-CE2 3.87Å; D181-Y187 WeakPolarHBondContact OD2-CE2 3.35Å; D181-Y187 PolarHBondContact OD2-OH 3.35Å
182Q92.6Very high97.1Very high174 Ų17455 Ų5581%0.81334%0.335SS*.THydrogen-bonded Turntrans-64.5-15.8178.669.8-78.71.500114.6
183T93.2Very high97Very high73 Ų7360.8 Ų60.845%0.44835%0.353SS..THydrogen-bonded Turntrans-105.516.5174.566.20000112.3K165 D181 N185K165-T183 PolarHBondContact NZ-O 2.94Å; D181-T183 PolarHBondContact O-N 3.24Å; D181-T183 VanDerWaalsContact OD1-CA 3.24Å; D181-T183 WeakPolarHBondContact OD1-CA 3.49Å; D181-T183 PolarHBondContact OD1-N 3.07Å; D181-T183 PolarHBondContact OD1-OG1 3.32Å; D181-T183 PolarHBondContact OD2-OG1 3.05Å; T183-N185 PolarHBondContact O-N 3.23Å; T183-N185 PolarHBondContact OG1-ND2 3.26Å
184N95.3Very high97Very high94 Ų9464 Ų6450%0.50337%0.365SS..  trans62.114.3-177.1-66.9-45.3000115.6K165 D181 A186K165-N184 CarbonylContact C-O 3.58Å; K165-N184 VanDerWaalsContact CA-O 3.24Å; K165-N184 WeakPolarHBondContact CA-O 3.48Å; K165-N184 CarbonylContact O-C 3.56Å; K165-N184 VanDerWaalsContact O-CB 3.25Å; K165-N184 WeakPolarHBondContact O-CB 3.32Å; D181-N184 WeakPolarHBondContact O-CA 3.36Å; D181-N184 PolarHBondContact O-N 3.1Å; D181-N184 PolarHBondContact OD1-N 3.36Å; N184-A186 PolarHBondContact O-N 2.99Å
185N97.3Very high97.1Very high40 Ų4060.8 Ų60.821%0.21433%0.328CS..  trans-67.2133.1175-54-49.1000110.1K165 V180 D181 T183 Y187K165-N185 WeakPolarHBondContact CD-OD1 3.04Å; K165-N185 WeakPolarHBondContact CE-OD1 3.42Å; K165-N185 PolarHBondContact NZ-OD1 3.49Å; V180-N185 VanDerWaalsContact CA-O 3.27Å; V180-N185 WeakPolarHBondContact CA-O 3.42Å; D181-N185 PolarHBondContact N-O 2.97Å; D181-N185 PolarHBondContact OD1-N 2.94Å; D181-N185 WeakPolarHBondContact OD2-CB 3.33Å; D181-N185 PolarHBondContact OD2-ND2 2.86Å; T183-N185 PolarHBondContact O-N 3.23Å; T183-N185 PolarHBondContact OG1-ND2 3.26Å; N185-Y187 HydrophobicContact CB-CE2 3.66Å; N185-Y187 WeakPolarHBondContact O-CD2 3.48Å; N185-Y187 VanDerWaalsContact O-CE2 3.22Å; N185-Y187 WeakPolarHBondContact O-CE2 3.26Å
186A98.4Very high97.2Very high3 Ų361 Ų613%0.02533%0.328CS..EExtended strand (participates in β ladder)trans-86.3134-178.800000112.1Y159 K164 T166 V170 V179 V180 N184Y159-A186 WeakPolarHBondContact CE1-O 3.37Å; Y159-A186 PolarHBondContact OH-O 3.46Å; Y159-A186 VanDerWaalsContact OH-O 3.09Å; K164-A186 HydrophobicContact CB-CB 4.44Å; K164-A186 WeakPolarHBondContact O-CB 3.45Å; K164-A186 PolarHBondContact O-N 2.77Å; T166-A186 WeakPolarHBondContact O-CB 3.29Å; V170-A186 HydrophobicContact CG2-CB 4.01Å; V179-A186 CarbonylContact O-C 3.52Å; V179-A186 WeakPolarHBondContact O-CA 3.1Å; V180-A186 HydrophobicContact CG1-CB 4.45Å; N184-A186 PolarHBondContact O-N 2.99Å
187Y98.5Very high97.1Very high51 Ų5166.6 Ų66.620%0.235%0.35CS..EExtended strand (participates in β ladder)trans-128.6142.6179.5-61.5-90.8000112.3C178 V179 D181 N185C178-Y187 CarbonylContact C-O 3.33Å; C178-Y187 VanDerWaalsContact CA-O 3.29Å; C178-Y187 WeakPolarHBondContact CA-O 3.48Å; V179-Y187 PolarHBondContact N-O 2.98Å; V179-Y187 PolarHBondContact O-N 2.83Å; D181-Y187 HydrophobicContact CB-CD2 4.5Å; D181-Y187 HydrophobicContact CB-CE2 3.87Å; D181-Y187 WeakPolarHBondContact OD2-CE2 3.35Å; D181-Y187 PolarHBondContact OD2-OH 3.35Å; N185-Y187 HydrophobicContact CB-CE2 3.66Å; N185-Y187 WeakPolarHBondContact O-CD2 3.48Å; N185-Y187 VanDerWaalsContact O-CE2 3.22Å; N185-Y187 WeakPolarHBondContact O-CE2 3.26Å
188C98.6Very high97Very high11 Ų1166.9 Ų66.97%0.07435%0.353CS..EExtended strand (participates in β ladder)trans-98.5114.2170.6-70.70000110.1Q158 Y159 C172Q158-C188 WeakPolarHBondContact O-CB 3.5Å; Y159-C188 HydrophobicContact CD1-CB 4.18Å; Y159-C188 VanDerWaalsContact CD1-SG 3.52Å; C172-C188 WeakPolarHBondContact CA-SG 3.49Å; C172-C188 HydrophobicContact CB-CB 3.7Å; C172-C188 WeakPolarHBondContact CB-SG 3.37Å; C172-C188 WeakPolarHBondContact SG-CA 3.3Å; C172-C188 WeakPolarHBondContact SG-CB 3.42Å; C172-C188 CovalentContact SG-SG 2.04Å; C172-C188 PolarHBondContact SG-SG 3.06Å
189V98.1Very high96.8Very high51 Ų5172 Ų7231%0.30938%0.383SS..EExtended strand (participates in β ladder)trans-129.9155.8-173.7-58.90000111.4S176 T177 V179S176-V189 CarbonylContact C-O 3.53Å; S176-V189 VanDerWaalsContact CA-O 3.32Å; S176-V189 WeakPolarHBondContact CA-O 3.4Å; T177-V189 PolarHBondContact N-O 3.05Å; T177-V189 PolarHBondContact O-N 2.95Å; V179-V189 HydrophobicContact CB-CG2 4.3Å; V179-V189 HydrophobicContact CG1-CG2 3.62Å; V179-V189 HydrophobicContact CG2-CB 4.46Å; V179-V189 HydrophobicContact CG2-CG1 3.94Å; V179-V189 HydrophobicContact CG2-CG2 3.63Å
190T97.8Very high96.6Very high106 Ų10672.7 Ų72.765%0.6539%0.389SS*.  trans-92.4110.2173.4-58.40000109.8
191C97.9Very high96.4Very high10 Ų1076.3 Ų76.37%0.06841%0.414CS..  trans-70.2131.5177.1-58.80000111.3R193 C224 L225C191-R193 PolarHBondContact O-N 3.13Å; C191-C224 WeakPolarHBondContact CA-SG 3.34Å; C191-C224 HydrophobicContact CB-CB 3.76Å; C191-C224 WeakPolarHBondContact CB-SG 3.47Å; C191-C224 WeakPolarHBondContact SG-CB 3.28Å; C191-C224 PolarHBondContact SG-O 3.34Å; C191-C224 CovalentContact SG-SG 2.03Å; C191-C224 PolarHBondContact SG-SG 3.17Å; C191-L225 HydrophobicContact CB-CD2 4.2Å
192N97.2Very high96.2Very high98 Ų9882.9 Ų82.952%0.52444%0.443SS..  trans-67.7115.7168.2-175.614.1000109.8I194 K221N192-I194 PolarHBondContact ND2-O 2.82Å; N192-I194 PolarHBondContact OD1-N 3.1Å; N192-I194 VanDerWaalsContact OD1-N 3.1Å; N192-I194 PolarHBondContact OD1-O 2.05Å; N192-K221 WeakPolarHBondContact O-CG 3.5Å
193R96Very high96.3Very high150 Ų15078 Ų7857%0.56642%0.421SS*.  trans-95.4-13.7-179-63.4-170.5179.4-147.80113.4C191 K221C191-R193 PolarHBondContact O-N 3.13Å; R193-K221 WeakPolarHBondContact O-CE 3.27Å; R193-K221 PolarHBondContact O-NZ 3.32Å
194I97.6Very high96.6Very high140 Ų14077.6 Ų77.672%0.71841%0.411SS*.  trans-108.9119.4-176.4-55.9174.9000108.1N192N192-I194 PolarHBondContact ND2-O 2.82Å; N192-I194 PolarHBondContact OD1-N 3.1Å; N192-I194 VanDerWaalsContact OD1-N 3.1Å; N192-I194 PolarHBondContact OD1-O 2.05Å
195C97.9Very high96.7Very high18 Ų1874.1 Ų74.112%0.12239%0.392CS..  trans-119.2141.1176.1-70.30000109.2C217 H218C195-C217 WeakPolarHBondContact CA-SG 3.43Å; C195-C217 HydrophobicContact CB-CB 3.76Å; C195-C217 WeakPolarHBondContact CB-SG 3.08Å; C195-C217 WeakPolarHBondContact SG-CB 3.22Å; C195-C217 PolarHBondContact SG-O 3.46Å; C195-C217 CovalentContact SG-SG 2.05Å; C195-C217 PolarHBondContact SG-SG 3.32Å; C195-H218 WeakPolarHBondContact CB-CE1 3.43Å; C195-H218 WeakPolarHBondContact CB-NE2 3.49Å
196P97.4Very high96.8Very high95 Ų9572.4 Ų72.462%0.61738%0.383SS*.PPolyproline II helixtrans-65.8146.8170.728.8-33.4000110
197E95.8Very high96.8Very high152 Ų15272.3 Ų72.371%0.7138%0.383SS*.PPolyproline II helixtrans-62.5143.7171.8-69.4-57.313900110.4
198P95.3Very high96.7Very high34 Ų3471.1 Ų71.122%0.22138%0.38CS..PPolyproline II helixtrans-66.3138.6-17929.5-35.3000111A214P198-A214 HydrophobicContact CG-CB 4.17Å
199T94.9Very high96.7Very high126 Ų12672.9 Ų72.977%0.77339%0.389SS*.SBendtrans-95.8-16.9179.356.70000113Q203T199-Q203 PolarHBondContact OG1-NE2 3.2Å; T199-Q203 VanDerWaalsContact OG1-NE2 3.07Å
200S94.6Very high96.7Very high39 Ų3972 Ų7227%0.27339%0.39SS..SBendtrans-147.9155.1177.173.90000112.5E202 Q203S200-E202 PolarHBondContact O-N 3.04Å; S200-Q203 PolarHBondContact O-N 2.99Å
201P92.7Very high96.7Very high105 Ų10571.2 Ų71.268%0.68238%0.381SS*.G310 helixtrans-62.4-19.4174.1-24.235.2000115Q203 Y204P201-Q203 PolarHBondContact O-N 3.36Å; P201-Y204 VanDerWaalsContact O-CD2 3.3Å; P201-Y204 WeakPolarHBondContact O-CD2 3.22Å; P201-Y204 PolarHBondContact O-N 3.15Å
202E92.9Very high96.7Very high171 Ų17173.4 Ų73.480%0.79939%0.394SS*.G310 helixtrans-73.2-16.2-180-63.8172.5-175.600112.7S200 Y204S200-E202 PolarHBondContact O-N 3.04Å; E202-Y204 VanDerWaalsContact C-N 3.3Å
203Q96Very high96.8Very high72 Ų7269.7 Ų69.734%0.33637%0.373SS..G310 helixtrans-77.9-15.2178.8-68.6175.7-22.400113.7T199 S200 P201 A214 S215T199-Q203 PolarHBondContact OG1-NE2 3.2Å; T199-Q203 VanDerWaalsContact OG1-NE2 3.07Å; S200-Q203 PolarHBondContact O-N 2.99Å; P201-Q203 PolarHBondContact O-N 3.36Å; Q203-A214 CarbonylContact C-O 3.57Å; Q203-S215 WeakPolarHBondContact O-CA 3.03Å
204Y98Very high96.9Very high63 Ų6363.6 Ų63.625%0.24735%0.354CS..  trans-64146.6179.8-77.2-95000110.7P201 E202 T212 Y213 A214 G236 K237P201-Y204 VanDerWaalsContact O-CD2 3.3Å; P201-Y204 WeakPolarHBondContact O-CD2 3.22Å; P201-Y204 PolarHBondContact O-N 3.15Å; E202-Y204 VanDerWaalsContact C-N 3.3Å; Y204-T212 HydrophobicContact CD1-CG2 3.64Å; Y204-T212 HydrophobicContact CE1-CG2 4.35Å; Y204-Y213 CarbonylContact C-O 2.98Å; Y204-Y213 VanDerWaalsContact CA-O 3.31Å; Y204-Y213 WeakPolarHBondContact CA-O 3.21Å; Y204-A214 HydrophobicContact CE1-CB 4.26Å; Y204-G236 CarbonylContact C-O 2.87Å; Y204-G236 CarbonylContact O-C 3.57Å; Y204-G236 VanDerWaalsContact O-CA 3.25Å; Y204-G236 WeakPolarHBondContact O-CA 3.47Å; Y204-G236 PolarHBondContact O-N 3.37Å; Y204-K237 HydrophobicContact CD1-CG 4.09Å; Y204-K237 HydrophobicContact CG-CG 4.05Å
205L98.3Very high96.9Very high21 Ų2157.6 Ų57.611%0.1132%0.324CS..EExtended strand (participates in β ladder)trans-133.4143.5-179.1-59.3175.6000110.1T212 Y213 A216 L219 L232 E235 G236L205-T212 CarbonylContact O-C 3.6Å; L205-T212 WeakPolarHBondContact O-CA 3.37Å; L205-Y213 PolarHBondContact N-O 2.95Å; L205-Y213 PolarHBondContact O-N 3.04Å; L205-A216 HydrophobicContact CD1-CB 3.97Å; L205-L219 HydrophobicContact CD1-CB 4.45Å; L205-L219 HydrophobicContact CD1-CD2 4.08Å; L205-L232 HydrophobicContact CB-CD1 3.7Å; L205-L232 HydrophobicContact CD1-CD1 4.2Å; L205-L232 HydrophobicContact CD2-CD1 3.84Å; L205-L232 HydrophobicContact CG-CD1 4.12Å; L205-E235 HydrophobicContact CD2-CG 4.22Å; L205-G236 CarbonylContact C-O 3.49Å; L205-G236 WeakPolarHBondContact CA-O 3.5Å; L205-G236 PolarHBondContact N-O 3.42Å
206C98.4Very high96.9Very high4 Ų458.8 Ų58.83%0.02734%0.336CS..EExtended strand (participates in β ladder)trans-96.7121167.9-173.40000109.4A233 Y234 G236 C238C206-A233 HydrophobicContact CB-CB 4.41Å; C206-A233 WeakPolarHBondContact O-CA 3.26Å; C206-A233 VanDerWaalsContact O-CB 3.3Å; C206-A233 WeakPolarHBondContact O-CB 3.24Å; C206-A233 PolarHBondContact O-N 2.96Å; C206-Y234 HydrophobicContact CB-CD1 4.43Å; C206-Y234 HydrophobicContact CB-CD2 3.71Å; C206-Y234 HydrophobicContact CB-CE1 4.19Å; C206-Y234 HydrophobicContact CB-CE2 3.42Å; C206-Y234 VanDerWaalsContact CB-CE2 3.42Å; C206-Y234 HydrophobicContact CB-CG 4.2Å; C206-Y234 PolarHBondContact N-O 2.73Å; C206-Y234 PolarHBondContact O-N 3.26Å; C206-Y234 VanDerWaalsContact SG-CZ 3.53Å; C206-G236 PolarHBondContact N-O 3.47Å; C206-C238 WeakPolarHBondContact CA-SG 3.45Å; C206-C238 HydrophobicContact CB-CB 3.98Å; C206-C238 WeakPolarHBondContact CB-SG 3.28Å; C206-C238 WeakPolarHBondContact SG-CA 3.41Å; C206-C238 WeakPolarHBondContact SG-CB 3.46Å; C206-C238 CovalentContact SG-SG 2.04Å; C206-C238 PolarHBondContact SG-SG 3.35Å
207G98.4Very high97Very high1 Ų155.6 Ų55.61%0.0132%0.316CS..EExtended strand (participates in β ladder)trans-78.9159.7172.800000112D209 G210 I211G207-D209 WeakPolarHBondContact CA-OD1 3.26Å; G207-D209 PolarHBondContact O-N 3.49Å; G207-G210 PolarHBondContact O-N 2.88Å; G207-I211 PolarHBondContact N-O 3.44Å
208N97.5Very high97.1Very high26 Ų2650.4 Ų50.414%0.13929%0.291CS..THydrogen-bonded Turntrans-67.8-14.8174.6-63.2-52.4000113.7G210 I230 G231 L232 A233 R263 R265N208-G210 PolarHBondContact O-N 2.95Å; N208-I230 WeakPolarHBondContact CB-O 3.31Å; N208-I230 PolarHBondContact ND2-O 2.91Å; N208-G231 PolarHBondContact N-O 3.14Å; N208-G231 VanDerWaalsContact N-O 3.11Å; N208-G231 VanDerWaalsContact ND2-CA 3.35Å; N208-G231 WeakPolarHBondContact ND2-CA 3.32Å; N208-G231 PolarHBondContact ND2-O 3.25Å; N208-G231 VanDerWaalsContact ND2-O 3.11Å; N208-L232 PolarHBondContact ND2-O 3.5Å; N208-L232 PolarHBondContact OD1-O 3.1Å; N208-A233 WeakPolarHBondContact OD1-CA 3.4Å; N208-A233 VanDerWaalsContact OD1-CB 3.31Å; N208-A233 WeakPolarHBondContact OD1-CB 3.02Å; N208-A233 PolarHBondContact OD1-N 2.81Å; N208-R263 PolarHBondContact O-NE 2.78Å; N208-R263 PolarHBondContact O-NH2 3.01Å; N208-R265 PolarHBondContact ND2-NE 3.2Å; N208-R265 PolarHBondContact ND2-NH2 2.68Å; N208-R265 VanDerWaalsContact OD1-CZ 3.29Å; N208-R265 PolarHBondContact OD1-NE 3.41Å; N208-R265 PolarHBondContact OD1-NH2 2.99Å; N208-R265 VanDerWaalsContact OD1-NH2 3.14Å
209D97.6Very high97.3Very high49 Ų4949.6 Ų49.626%0.26229%0.285SS..THydrogen-bonded Turntrans-75.2-3.2168.159.7-1.8000113.1G207 I211 Y213 I230 R263G207-D209 WeakPolarHBondContact CA-OD1 3.26Å; G207-D209 PolarHBondContact O-N 3.49Å; D209-I211 VanDerWaalsContact C-N 3.29Å; D209-I211 HydrophobicContact CB-CG1 4.48Å; D209-I211 PolarHBondContact OD1-N 2.96Å; D209-Y213 PolarHBondContact OD2-OH 3.17Å; D209-I230 HydrophobicContact CB-CG2 3.96Å; D209-I230 VanDerWaalsContact CG-CG2 3.46Å; D209-I230 WeakPolarHBondContact OD2-CG2 3Å; D209-R263 PolarHBondContact O-NH1 3.41Å
210G97.6Very high97.5Very high32 Ų3252.4 Ų52.433%0.3328%0.281SS..SBendtrans77.613.7-179.600000113.6G207 N208 C238G207-G210 PolarHBondContact O-N 2.88Å; N208-G210 PolarHBondContact O-N 2.95Å; G210-C238 PolarHBondContact O-SG 3.42Å
211I98.5Very high97.6Very high90 Ų9053.8 Ų53.846%0.46228%0.282SS..PPolyproline II helixtrans-95.4135.5178.8-60.3-179.7000109.5G207 D209 Y213 C238G207-I211 PolarHBondContact N-O 3.44Å; D209-I211 VanDerWaalsContact C-N 3.29Å; D209-I211 HydrophobicContact CB-CG1 4.48Å; D209-I211 PolarHBondContact OD1-N 2.96Å; I211-Y213 HydrophobicContact CB-CD2 4.49Å; I211-Y213 HydrophobicContact CB-CE2 3.77Å; I211-Y213 HydrophobicContact CG2-CD2 4.42Å; I211-Y213 HydrophobicContact CG2-CE1 4.19Å; I211-Y213 HydrophobicContact CG2-CE2 3.96Å; I211-Y213 WeakPolarHBondContact O-CD2 3.29Å; I211-Y213 WeakPolarHBondContact O-CE2 3.38Å; I211-C238 PolarHBondContact O-SG 2.98Å; I211-C238 VanDerWaalsContact O-SG 3.34Å
212T98.5Very high97.9Very high55 Ų5549.9 Ų49.934%0.33726%0.259SS..EExtended strand (participates in β ladder)trans-82119.5171.1-64.30000109.7Y204 L205 K237 C238Y204-T212 HydrophobicContact CD1-CG2 3.64Å; Y204-T212 HydrophobicContact CE1-CG2 4.35Å; L205-T212 CarbonylContact O-C 3.6Å; L205-T212 WeakPolarHBondContact O-CA 3.37Å; T212-K237 HydrophobicContact CG2-CB 3.98Å; T212-K237 HydrophobicContact CG2-CG 3.86Å; T212-C238 WeakPolarHBondContact OG1-CB 3.43Å; T212-C238 PolarHBondContact OG1-N 3Å
213Y98.6Very high98.2Very high21 Ų2143.3 Ų43.38%0.08223%0.231CC..EExtended strand (participates in β ladder)trans-100.1135.3176.3-67.1-81.4000110.3Y204 L205 D209 I211 S215 H218 L219 A222 I230Y204-Y213 CarbonylContact C-O 2.98Å; Y204-Y213 VanDerWaalsContact CA-O 3.31Å; Y204-Y213 WeakPolarHBondContact CA-O 3.21Å; L205-Y213 PolarHBondContact N-O 2.95Å; L205-Y213 PolarHBondContact O-N 3.04Å; D209-Y213 PolarHBondContact OD2-OH 3.17Å; I211-Y213 HydrophobicContact CB-CD2 4.49Å; I211-Y213 HydrophobicContact CB-CE2 3.77Å; I211-Y213 HydrophobicContact CG2-CD2 4.42Å; I211-Y213 HydrophobicContact CG2-CE1 4.19Å; I211-Y213 HydrophobicContact CG2-CE2 3.96Å; I211-Y213 WeakPolarHBondContact O-CD2 3.29Å; I211-Y213 WeakPolarHBondContact O-CE2 3.38Å; Y213-S215 VanDerWaalsContact C-N 3.26Å; Y213-S215 PolarHBondContact O-N 3.27Å; Y213-H218 HydrophobicContact CD1-CB 4.29Å; Y213-L219 HydrophobicContact CD1-CB 4.2Å; Y213-L219 HydrophobicContact CD2-CB 4.18Å; Y213-L219 HydrophobicContact CD2-CD1 3.59Å; Y213-L219 HydrophobicContact CD2-CG 4.4Å; Y213-L219 HydrophobicContact CE1-CD1 4.44Å; Y213-L219 HydrophobicContact CE2-CD1 3.5Å; Y213-L219 HydrophobicContact CG-CB 3.85Å; Y213-L219 HydrophobicContact CG-CD1 4.1Å; Y213-A222 HydrophobicContact CD1-CB 4.38Å; Y213-A222 HydrophobicContact CE1-CB 3.41Å; Y213-A222 VanDerWaalsContact CE1-CB 3.41Å; Y213-I230 WeakPolarHBondContact OH-CD1 3.31Å
214A98.3Very high98.3Very high22 Ų2241 Ų4118%0.18222%0.222CC..SBendtrans-65-28.2-178.800000113.5P198 Q203 Y204P198-A214 HydrophobicContact CG-CB 4.17Å; Q203-A214 CarbonylContact C-O 3.57Å; Y204-A214 HydrophobicContact CE1-CB 4.26Å
215S98.1Very high98.3Very high13 Ų1341.8 Ų41.89%0.09123%0.23CC..SBendtrans-160.9172.2175.670.80000111.8Q203 Y213 C217 H218 L219Q203-S215 WeakPolarHBondContact O-CA 3.03Å; Y213-S215 VanDerWaalsContact C-N 3.26Å; Y213-S215 PolarHBondContact O-N 3.27Å; S215-C217 PolarHBondContact O-N 2.04Å; S215-C217 PolarHBondContact OG-N 2.87Å; S215-H218 WeakPolarHBondContact O-CB 3.43Å; S215-H218 PolarHBondContact O-N 3.17Å; S215-H218 PolarHBondContact OG-ND1 3.21Å; S215-L219 PolarHBondContact O-N 2.81Å; S215-L219 VanDerWaalsContact O-N 3.1Å
216A98.2Very high98.3Very high44 Ų4444.5 Ų44.536%0.36425%0.245SC..Hα-helixtrans-56.5-32.317200000113.1L205 R220L205-A216 HydrophobicContact CD1-CB 3.97Å; A216-R220 WeakPolarHBondContact O-CB 3.4Å; A216-R220 VanDerWaalsContact O-CG 3.29Å; A216-R220 WeakPolarHBondContact O-CG 3.44Å; A216-R220 PolarHBondContact O-N 3.1Å
217C98.4Very high98.3Very high28 Ų2844.9 Ų44.919%0.18925%0.249CC..Hα-helixtrans-62.5-45.5174.3-177.10000111.1C195 S215 R220 K221C195-C217 WeakPolarHBondContact CA-SG 3.43Å; C195-C217 HydrophobicContact CB-CB 3.76Å; C195-C217 WeakPolarHBondContact CB-SG 3.08Å; C195-C217 WeakPolarHBondContact SG-CB 3.22Å; C195-C217 PolarHBondContact SG-O 3.46Å; C195-C217 CovalentContact SG-SG 2.05Å; C195-C217 PolarHBondContact SG-SG 3.32Å; S215-C217 PolarHBondContact O-N 2.04Å; S215-C217 PolarHBondContact OG-N 2.87Å; C217-R220 PolarHBondContact O-N 2.93Å; C217-K221 WeakPolarHBondContact O-CB 3.02Å; C217-K221 PolarHBondContact O-N 3.22Å
218H98.6Very high98.3Very high43 Ų4351.8 Ų51.820%0.19928%0.275CS..Hα-helixtrans-65.1-41-179.7-67.891.3000112.1C195 Y213 S215 K221 A222C195-H218 WeakPolarHBondContact CB-CE1 3.43Å; C195-H218 WeakPolarHBondContact CB-NE2 3.49Å; Y213-H218 HydrophobicContact CD1-CB 4.29Å; S215-H218 WeakPolarHBondContact O-CB 3.43Å; S215-H218 PolarHBondContact O-N 3.17Å; S215-H218 PolarHBondContact OG-ND1 3.21Å; H218-K221 PolarHBondContact O-N 2.91Å; H218-A222 PolarHBondContact O-N 3.38Å
219L98.6Very high98.3Very high16 Ų1655.2 Ų55.28%0.08430%0.301CS..Hα-helixtrans-62.9-44.8174.2176.460.8000111.7L205 Y213 S215 A222 T223 I230 L232L205-L219 HydrophobicContact CD1-CB 4.45Å; L205-L219 HydrophobicContact CD1-CD2 4.08Å; Y213-L219 HydrophobicContact CD1-CB 4.2Å; Y213-L219 HydrophobicContact CD2-CB 4.18Å; Y213-L219 HydrophobicContact CD2-CD1 3.59Å; Y213-L219 HydrophobicContact CD2-CG 4.4Å; Y213-L219 HydrophobicContact CE1-CD1 4.44Å; Y213-L219 HydrophobicContact CE2-CD1 3.5Å; Y213-L219 HydrophobicContact CG-CB 3.85Å; Y213-L219 HydrophobicContact CG-CD1 4.1Å; S215-L219 PolarHBondContact O-N 2.81Å; S215-L219 VanDerWaalsContact O-N 3.1Å; L219-A222 PolarHBondContact O-N 3.19Å; L219-T223 WeakPolarHBondContact O-CB 3.33Å; L219-T223 PolarHBondContact O-N 2.93Å; L219-T223 PolarHBondContact O-OG1 2.92Å; L219-I230 HydrophobicContact CD1-CB 4.28Å; L219-I230 HydrophobicContact CD1-CG2 4.1Å; L219-L232 HydrophobicContact CD2-CB 4.37Å; L219-L232 HydrophobicContact CD2-CD1 4.25Å
220R98.6Very high98.3Very high186 Ų18653.9 Ų53.970%0.70229%0.293SS*.Hα-helixtrans-65.3-40176.9-73.5173.7-179157.41.2112.4A216 C217 T223 C224A216-R220 WeakPolarHBondContact O-CB 3.4Å; A216-R220 VanDerWaalsContact O-CG 3.29Å; A216-R220 WeakPolarHBondContact O-CG 3.44Å; A216-R220 PolarHBondContact O-N 3.1Å; C217-R220 PolarHBondContact O-N 2.93Å; R220-T223 PolarHBondContact O-N 3.41Å; R220-C224 WeakPolarHBondContact O-CB 3.39Å; R220-C224 PolarHBondContact O-N 2.91Å
221K98.5Very high98.2Very high67 Ų6753.9 Ų53.929%0.29129%0.293SS..Hα-helixtrans-58.4-51.3173.8172.8179.2171.3178.10110.4N192 R193 C217 H218 T223 C224 L225N192-K221 WeakPolarHBondContact O-CG 3.5Å; R193-K221 WeakPolarHBondContact O-CE 3.27Å; R193-K221 PolarHBondContact O-NZ 3.32Å; C217-K221 WeakPolarHBondContact O-CB 3.02Å; C217-K221 PolarHBondContact O-N 3.22Å; H218-K221 PolarHBondContact O-N 2.91Å; K221-T223 PolarHBondContact O-N 2.8Å; K221-C224 PolarHBondContact O-N 2.98Å; K221-L225 HydrophobicContact CG-CD1 3.98Å; K221-L225 WeakPolarHBondContact O-CB 2.96Å; K221-L225 VanDerWaalsContact O-CG 3.26Å; K221-L225 WeakPolarHBondContact O-CG 3.1Å; K221-L225 PolarHBondContact O-N 3.29Å
222A98.6Very high98.2Very high24 Ų2452.5 Ų52.520%0.19829%0.286CS..Hα-helixtrans-62.3-43.317800000112.2Y213 H218 L219 C224 L225 L226 I230Y213-A222 HydrophobicContact CD1-CB 4.38Å; Y213-A222 HydrophobicContact CE1-CB 3.41Å; Y213-A222 VanDerWaalsContact CE1-CB 3.41Å; H218-A222 PolarHBondContact O-N 3.38Å; L219-A222 PolarHBondContact O-N 3.19Å; A222-C224 VanDerWaalsContact C-N 3.35Å; A222-C224 PolarHBondContact O-N 3.37Å; A222-L225 PolarHBondContact O-N 2.04Å; A222-L226 VanDerWaalsContact O-CB 3.28Å; A222-L226 WeakPolarHBondContact O-CB 3.45Å; A222-L226 PolarHBondContact O-N 3.22Å; A222-I230 HydrophobicContact CB-CD1 3.97Å
223T98.6Very high98.2Very high33 Ų3350 Ų5020%0.20227%0.271CS..Hα-helixtrans-57-46.9175.3-60.20000111.6L219 R220 K221 L226 G227 R228L219-T223 WeakPolarHBondContact O-CB 3.33Å; L219-T223 PolarHBondContact O-N 2.93Å; L219-T223 PolarHBondContact O-OG1 2.92Å; R220-T223 PolarHBondContact O-N 3.41Å; K221-T223 PolarHBondContact O-N 2.8Å; T223-L226 PolarHBondContact O-N 2.88Å; T223-G227 PolarHBondContact O-N 3.48Å; T223-G227 VanDerWaalsContact O-N 3.13Å; T223-R228 WeakPolarHBondContact CG2-O 3.39Å
224C98.6Very high98.2Very high23 Ų2350 Ų5016%0.15527%0.271CS..Hα-helixtrans-66.8-41.4179.9-170.10000112.1T177 C191 R220 K221 A222 L226 G227T177-C224 WeakPolarHBondContact CG2-O 3.4Å; C191-C224 WeakPolarHBondContact CA-SG 3.34Å; C191-C224 HydrophobicContact CB-CB 3.76Å; C191-C224 WeakPolarHBondContact CB-SG 3.47Å; C191-C224 WeakPolarHBondContact SG-CB 3.28Å; C191-C224 PolarHBondContact SG-O 3.34Å; C191-C224 CovalentContact SG-SG 2.03Å; C191-C224 PolarHBondContact SG-SG 3.17Å; R220-C224 WeakPolarHBondContact O-CB 3.39Å; R220-C224 PolarHBondContact O-N 2.91Å; K221-C224 PolarHBondContact O-N 2.98Å; A222-C224 VanDerWaalsContact C-N 3.35Å; A222-C224 PolarHBondContact O-N 3.37Å; C224-L226 VanDerWaalsContact C-N 3.31Å; C224-L226 PolarHBondContact O-N 2.99Å; C224-G227 PolarHBondContact O-N 3.18Å
225L98Very high98.1Very high80 Ų8053.5 Ų53.542%0.41928%0.284SS..Hα-helixtrans-70.1-28.1177.3-66176.5000112.8C191 K221 A222 G227C191-L225 HydrophobicContact CB-CD2 4.2Å; K221-L225 HydrophobicContact CG-CD1 3.98Å; K221-L225 WeakPolarHBondContact O-CB 2.96Å; K221-L225 VanDerWaalsContact O-CG 3.26Å; K221-L225 WeakPolarHBondContact O-CG 3.1Å; K221-L225 PolarHBondContact O-N 3.29Å; A222-L225 PolarHBondContact O-N 2.04Å; L225-G227 VanDerWaalsContact C-N 3.34Å
226L98.2Very high98.1Very high78 Ų7854 Ų5441%0.40829%0.291SS..Hα-helixtrans-73.8-26.6173.9-177.563.5000112.4A222 T223 C224 R228 I230A222-L226 VanDerWaalsContact O-CB 3.28Å; A222-L226 WeakPolarHBondContact O-CB 3.45Å; A222-L226 PolarHBondContact O-N 3.22Å; T223-L226 PolarHBondContact O-N 2.88Å; C224-L226 VanDerWaalsContact C-N 3.31Å; C224-L226 PolarHBondContact O-N 2.99Å; L226-R228 VanDerWaalsContact C-N 3.35Å; L226-R228 HydrophobicContact CD2-CG 3.96Å; L226-R228 HydrophobicContact CG-CG 4Å; L226-I230 HydrophobicContact CD2-CD1 4.01Å; L226-I230 HydrophobicContact CD2-CG1 3.52Å
227G98Very high98Very high11 Ų1157.7 Ų57.711%0.11330%0.299CS..THydrogen-bonded Turntrans843.8-17900000114.9C178 V179 V180 T223 C224 L225C178-G227 VanDerWaalsContact O-CA 3.27Å; C178-G227 WeakPolarHBondContact O-CA 3.06Å; V179-G227 CarbonylContact C-O 3.59Å; V179-G227 VanDerWaalsContact CA-O 3.31Å; V179-G227 WeakPolarHBondContact CA-O 3.26Å; V180-G227 PolarHBondContact N-O 3.23Å; T223-G227 PolarHBondContact O-N 3.48Å; T223-G227 VanDerWaalsContact O-N 3.13Å; C224-G227 PolarHBondContact O-N 3.18Å; L225-G227 VanDerWaalsContact C-N 3.34Å
228R97.9Very high98Very high147 Ų14757.9 Ų57.956%0.55530%0.3SS*.SBendtrans-153.1160.8177.264.9177.5-177-84.22.7111.4V180 T223 L226 I230V180-R228 HydrophobicContact CG2-CB 3.99Å; T223-R228 WeakPolarHBondContact CG2-O 3.39Å; L226-R228 VanDerWaalsContact C-N 3.35Å; L226-R228 HydrophobicContact CD2-CG 3.96Å; L226-R228 HydrophobicContact CG-CG 4Å; R228-I230 PolarHBondContact O-N 3.47Å
229S97.7Very high98Very high98 Ų9859.9 Ų59.969%0.68531%0.311SS*.  trans-57.7120.9178.6-66.30000112.6
230I98.1Very high97.9Very high21 Ų2169.3 Ų69.311%0.10835%0.352CS..  trans-81.6-46.4164.3-62173.5000109N208 D209 Y213 L219 A222 L226 R228N208-I230 WeakPolarHBondContact CB-O 3.31Å; N208-I230 PolarHBondContact ND2-O 2.91Å; D209-I230 HydrophobicContact CB-CG2 3.96Å; D209-I230 VanDerWaalsContact CG-CG2 3.46Å; D209-I230 WeakPolarHBondContact OD2-CG2 3Å; Y213-I230 WeakPolarHBondContact OH-CD1 3.31Å; L219-I230 HydrophobicContact CD1-CB 4.28Å; L219-I230 HydrophobicContact CD1-CG2 4.1Å; A222-I230 HydrophobicContact CB-CD1 3.97Å; L226-I230 HydrophobicContact CD2-CD1 4.01Å; L226-I230 HydrophobicContact CD2-CG1 3.52Å; R228-I230 PolarHBondContact O-N 3.47Å
231G96.5Very high97.8Very high31 Ų3161.4 Ų61.432%0.3233%0.326SS..  trans76.2153.5-176.300000113.2N208N208-G231 PolarHBondContact N-O 3.14Å; N208-G231 VanDerWaalsContact N-O 3.11Å; N208-G231 VanDerWaalsContact ND2-CA 3.35Å; N208-G231 WeakPolarHBondContact ND2-CA 3.32Å; N208-G231 PolarHBondContact ND2-O 3.25Å; N208-G231 VanDerWaalsContact ND2-O 3.11Å
232L98Very high97.8Very high61 Ų6166.8 Ų66.832%0.31935%0.35SS..EExtended strand (participates in β ladder)trans-81.4131.2175.5-179.265.6000109.5L205 N208 L219 Y234L205-L232 HydrophobicContact CB-CD1 3.7Å; L205-L232 HydrophobicContact CD1-CD1 4.2Å; L205-L232 HydrophobicContact CD2-CD1 3.84Å; L205-L232 HydrophobicContact CG-CD1 4.12Å; N208-L232 PolarHBondContact ND2-O 3.5Å; N208-L232 PolarHBondContact OD1-O 3.1Å; L219-L232 HydrophobicContact CD2-CB 4.37Å; L219-L232 HydrophobicContact CD2-CD1 4.25Å; L232-Y234 WeakPolarHBondContact CD1-O 3.37Å
233A98Very high97.7Very high4 Ų467.4 Ų67.43%0.03335%0.352CS..EExtended strand (participates in β ladder)trans-82.4-59.3167.600000109.8C206 N208 R265 C266C206-A233 HydrophobicContact CB-CB 4.41Å; C206-A233 WeakPolarHBondContact O-CA 3.26Å; C206-A233 VanDerWaalsContact O-CB 3.3Å; C206-A233 WeakPolarHBondContact O-CB 3.24Å; C206-A233 PolarHBondContact O-N 2.96Å; N208-A233 WeakPolarHBondContact OD1-CA 3.4Å; N208-A233 VanDerWaalsContact OD1-CB 3.31Å; N208-A233 WeakPolarHBondContact OD1-CB 3.02Å; N208-A233 PolarHBondContact OD1-N 2.81Å; A233-R265 CarbonylContact O-C 3.6Å; A233-C266 PolarHBondContact O-N 2.04Å
234Y97.9Very high97.7Very high20 Ų2067.4 Ų67.48%0.07835%0.353CS..EExtended strand (participates in β ladder)trans-161.4163.5178.348.1-96.6000111.3C206 L232 I239 I247C206-Y234 HydrophobicContact CB-CD1 4.43Å; C206-Y234 HydrophobicContact CB-CD2 3.71Å; C206-Y234 HydrophobicContact CB-CE1 4.19Å; C206-Y234 HydrophobicContact CB-CE2 3.42Å; C206-Y234 VanDerWaalsContact CB-CE2 3.42Å; C206-Y234 HydrophobicContact CB-CG 4.2Å; C206-Y234 PolarHBondContact N-O 2.73Å; C206-Y234 PolarHBondContact O-N 3.26Å; C206-Y234 VanDerWaalsContact SG-CZ 3.53Å; L232-Y234 WeakPolarHBondContact CD1-O 3.37Å; Y234-I239 WeakPolarHBondContact OH-CG1 3.32Å; Y234-I239 PolarHBondContact OH-N 3Å; Y234-I247 HydrophobicContact CD1-CG2 3.93Å; Y234-I247 HydrophobicContact CE1-CD1 4.06Å; Y234-I247 HydrophobicContact CE1-CG1 4.36Å; Y234-I247 HydrophobicContact CE1-CG2 4.28Å; Y234-I247 HydrophobicContact CG-CG2 4.2Å
235E97.4Very high97.6Very high95 Ų9574.2 Ų74.244%0.44438%0.383SS..EExtended strand (participates in β ladder)trans-72.6145.5175.3-72155.8-149.100110.7L205 S250 K253L205-E235 HydrophobicContact CD2-CG 4.22Å; E235-S250 PolarHBondContact OE2-OG 3.08Å; E235-K253 IonicContact OE1-NZ 2.8Å; E235-K253 PolarHBondContact OE1-NZ 3.47Å
236G96.6Very high97.6Very high23 Ų2374.1 Ų74.124%0.23738%0.383CS..SBendtrans94.8-174.5-174.700000114Y204 L205 C206Y204-G236 CarbonylContact C-O 2.87Å; Y204-G236 CarbonylContact O-C 3.57Å; Y204-G236 VanDerWaalsContact O-CA 3.25Å; Y204-G236 WeakPolarHBondContact O-CA 3.47Å; Y204-G236 PolarHBondContact O-N 3.37Å; L205-G236 CarbonylContact C-O 3.49Å; L205-G236 WeakPolarHBondContact CA-O 3.5Å; L205-G236 PolarHBondContact N-O 3.42Å; C206-G236 PolarHBondContact N-O 3.47Å
237K97.8Very high97.6Very high122 Ų12270.8 Ų70.853%0.5337%0.365SS..SBendtrans-75.9149.5178.3-60.8-173.3177.7178.80110.6Y204 T212 I239Y204-K237 HydrophobicContact CD1-CG 4.09Å; Y204-K237 HydrophobicContact CG-CG 4.05Å; T212-K237 HydrophobicContact CG2-CB 3.98Å; T212-K237 HydrophobicContact CG2-CG 3.86Å; K237-I239 PolarHBondContact O-N 3.4Å
238C97.9Very high97.5Very high32 Ų3278 Ų7822%0.21640%0.396CS..  trans-63.1136.7172.3-64.90000111C206 G210 I211 T212C206-C238 WeakPolarHBondContact CA-SG 3.45Å; C206-C238 HydrophobicContact CB-CB 3.98Å; C206-C238 WeakPolarHBondContact CB-SG 3.28Å; C206-C238 WeakPolarHBondContact SG-CA 3.41Å; C206-C238 WeakPolarHBondContact SG-CB 3.46Å; C206-C238 CovalentContact SG-SG 2.04Å; C206-C238 PolarHBondContact SG-SG 3.35Å; G210-C238 PolarHBondContact O-SG 3.42Å; I211-C238 PolarHBondContact O-SG 2.98Å; I211-C238 VanDerWaalsContact O-SG 3.34Å; T212-C238 WeakPolarHBondContact OG1-CB 3.43Å; T212-C238 PolarHBondContact OG1-N 3Å
239I97.8Very high97.4Very high85 Ų8572.7 Ų72.744%0.43638%0.381SS..  trans-113.5154.3173.258.9168.2000110.1Y234 K237 A241 D246 I247Y234-I239 WeakPolarHBondContact OH-CG1 3.32Å; Y234-I239 PolarHBondContact OH-N 3Å; K237-I239 PolarHBondContact O-N 3.4Å; I239-A241 HydrophobicContact CD1-CB 4.13Å; I239-A241 HydrophobicContact CG1-CB 4.14Å; I239-A241 PolarHBondContact O-N 2.85Å; I239-D246 HydrophobicContact CD1-CB 4.17Å; I239-D246 WeakPolarHBondContact CD1-O 3.05Å; I239-I247 HydrophobicContact CD1-CG1 4.16Å
240K96.8Very high97.2Very high214 Ų21470.1 Ų70.193%0.9336%0.363SS*.  trans-82.961.1173.3-65.5-175.3179.7-178.60110.3
241A97.5Very high96.8Very high20 Ų2074.1 Ų74.117%0.16540%0.399CS..  trans-62.5146.2177.200000110.9I239 D246 I247 W257I239-A241 HydrophobicContact CD1-CB 4.13Å; I239-A241 HydrophobicContact CG1-CB 4.14Å; I239-A241 PolarHBondContact O-N 2.85Å; A241-D246 WeakPolarHBondContact CA-OD2 3.21Å; A241-D246 HydrophobicContact CB-CB 3.67Å; A241-I247 HydrophobicContact CB-CD1 3.93Å; A241-I247 HydrophobicContact CB-CG1 3.75Å; A241-W257 HydrophobicContact CB-CH2 4.29Å; A241-W257 HydrophobicContact CB-CZ3 4.15Å
242K97.3Very high96.4Very high181 Ų18175.6 Ų75.679%0.78741%0.414SS*.SBendtrans-104-22.9172.7-64.1179-178.8176.80112.2D246 W257K242-D246 PolarHBondContact N-OD2 2.92Å; K242-W257 WeakPolarHBondContact O-CH2 3.44Å; K242-W257 WeakPolarHBondContact O-CZ2 3.5Å
243S97.6Very high96.3Very high36 Ų3675.4 Ų75.425%0.25241%0.411SS..SBendtrans-150.7177.117674.60000110E245 D246 W257S243-E245 PolarHBondContact O-N 3.39Å; S243-E245 WeakPolarHBondContact OG-CB 3.45Å; S243-E245 PolarHBondContact OG-N 2.88Å; S243-E245 PolarHBondContact OG-OE2 2.86Å; S243-D246 PolarHBondContact N-OD2 3.28Å; S243-D246 PolarHBondContact O-N 3.21Å; S243-W257 VanDerWaalsContact C-CE3 3.42Å; S243-W257 VanDerWaalsContact CA-CZ3 3.42Å; S243-W257 WeakPolarHBondContact O-CZ3 3.46Å
244C97.8Very high96.3Very high34 Ų3480.6 Ų80.623%0.2343%0.433CS..G310 helixtrans-64.9-14.7172.9-87.90000114.1D246 I247 C255C244-D246 PolarHBondContact O-N 2.82Å; C244-I247 PolarHBondContact O-N 3.14Å; C244-C255 WeakPolarHBondContact CA-SG 3.37Å; C244-C255 HydrophobicContact CB-CB 3.58Å; C244-C255 WeakPolarHBondContact CB-SG 3.44Å; C244-C255 WeakPolarHBondContact SG-CB 3.13Å; C244-C255 CovalentContact SG-SG 2.04Å; C244-C255 PolarHBondContact SG-SG 2.03Å
245E97.3Very high96.3Very high166 Ų16680.6 Ų80.678%0.77644%0.435SS*.G310 helixtrans-67.1-28.4178.5-61.1169.5164.200111.9S243 I247S243-E245 PolarHBondContact O-N 3.39Å; S243-E245 WeakPolarHBondContact OG-CB 3.45Å; S243-E245 PolarHBondContact OG-N 2.88Å; S243-E245 PolarHBondContact OG-OE2 2.86Å; E245-I247 VanDerWaalsContact C-N 3.31Å
246D97.7Very high96.3Very high77 Ų7776.5 Ų76.541%0.41242%0.416SS..G310 helixtrans-78.2-17.3178.1-61.4-45.5000112.4I239 A241 K242 S243 C244I239-D246 HydrophobicContact CD1-CB 4.17Å; I239-D246 WeakPolarHBondContact CD1-O 3.05Å; A241-D246 WeakPolarHBondContact CA-OD2 3.21Å; A241-D246 HydrophobicContact CB-CB 3.67Å; K242-D246 PolarHBondContact N-OD2 2.92Å; S243-D246 PolarHBondContact N-OD2 3.28Å; S243-D246 PolarHBondContact O-N 3.21Å; C244-D246 PolarHBondContact O-N 2.82Å
247I97.8Very high96.4Very high9 Ų976.6 Ų76.65%0.04641%0.41CS..  trans-102.9117.8-170.9-61.6170.2000110.1Y234 I239 A241 C244 E245 W257Y234-I247 HydrophobicContact CD1-CG2 3.93Å; Y234-I247 HydrophobicContact CE1-CD1 4.06Å; Y234-I247 HydrophobicContact CE1-CG1 4.36Å; Y234-I247 HydrophobicContact CE1-CG2 4.28Å; Y234-I247 HydrophobicContact CG-CG2 4.2Å; I239-I247 HydrophobicContact CD1-CG1 4.16Å; A241-I247 HydrophobicContact CB-CD1 3.93Å; A241-I247 HydrophobicContact CB-CG1 3.75Å; C244-I247 PolarHBondContact O-N 3.14Å; E245-I247 VanDerWaalsContact C-N 3.31Å; I247-W257 HydrophobicContact CD1-CZ3 4.09Å
248Q96.3Very high96.3Very high162 Ų16272 Ų7276%0.75739%0.391SS*.  trans-93.1109.6176.4-61.8-61.6-44.900110.1
249C96.8Very high96.2Very high36 Ų3677.6 Ų77.624%0.24341%0.412CS..PPolyproline II helixtrans-86.8140.5176.7-64.10000111.8K253 C255 C266C249-K253 HydrophobicContact CB-CB 3.97Å; C249-K253 WeakPolarHBondContact CB-O 3.22Å; C249-C255 PolarHBondContact SG-N 3.02Å; C249-C266 WeakPolarHBondContact CA-SG 3.47Å; C249-C266 HydrophobicContact CB-CB 3.82Å; C249-C266 WeakPolarHBondContact CB-SG 3.4Å; C249-C266 WeakPolarHBondContact SG-CB 3.39Å; C249-C266 CovalentContact SG-SG 2.04Å; C249-C266 PolarHBondContact SG-SG 2.03Å
250S92.8Very high95.9Very high43 Ų4381 Ų8130%0.30142%0.424SS..PPolyproline II helixtrans-59.8159172.4-42.70000111.2E235 G252 K253E235-S250 PolarHBondContact OE2-OG 3.08Å; S250-G252 PolarHBondContact O-N 3.24Å; S250-K253 WeakPolarHBondContact O-CB 3.37Å; S250-K253 PolarHBondContact O-N 2.73Å
251A89.6Confident95.8Very high106 Ų10674.3 Ų74.388%0.87640%0.401SS*.THydrogen-bonded Turntrans-50.4133.3-17500000112.9K253A251-K253 VanDerWaalsContact C-N 3.3Å; A251-K253 PolarHBondContact O-N 3.5Å
252G88.2Confident95.8Very high61 Ų6175.2 Ų75.263%0.62941%0.411SS*.THydrogen-bonded Turntrans83.8-7-179.700000115.3S250S250-G252 PolarHBondContact O-N 3.24Å
253K95.9Very high95.8Very high57 Ų5771.2 Ų71.225%0.24839%0.391CS..EExtended strand (participates in β ladder)trans-101.3144.6176.2-61.9173.5-172.5172.60111.2E235 C249 S250 A251 C266 A267 L268E235-K253 IonicContact OE1-NZ 2.8Å; E235-K253 PolarHBondContact OE1-NZ 3.47Å; C249-K253 HydrophobicContact CB-CB 3.97Å; C249-K253 WeakPolarHBondContact CB-O 3.22Å; S250-K253 WeakPolarHBondContact O-CB 3.37Å; S250-K253 PolarHBondContact O-N 2.73Å; A251-K253 VanDerWaalsContact C-N 3.3Å; A251-K253 PolarHBondContact O-N 3.5Å; K253-C266 HydrophobicContact CB-CB 4.12Å; K253-C266 HydrophobicContact CD-CB 4.2Å; K253-A267 CarbonylContact C-O 3.43Å; K253-A267 WeakPolarHBondContact CA-O 3.32Å; K253-A267 WeakPolarHBondContact CB-O 3.27Å; K253-L268 HydrophobicContact CG-CD2 3.72Å; K253-L268 HydrophobicContact CG-CG 4.25Å
254K96.9Very high95.8Very high113 Ų11369.7 Ų69.749%0.49138%0.382SS..EExtended strand (participates in β ladder)trans-112149.4170.2-61.7-174.3179.7175.80110.4C266 A267 C269K254-C266 WeakPolarHBondContact O-CA 3.29Å; K254-A267 PolarHBondContact N-O 3.24Å; K254-A267 PolarHBondContact O-N 3.2Å; K254-C269 HydrophobicContact CD-CB 4.05Å; K254-C269 HydrophobicContact CG-CB 4.22Å
255C98.1Very high95.8Very high20 Ų2071.3 Ų71.314%0.13538%0.383CS..EExtended strand (participates in β ladder)trans-79.5130.7173.9-178.70000110.4C244 C249 R265C244-C255 WeakPolarHBondContact CA-SG 3.37Å; C244-C255 HydrophobicContact CB-CB 3.58Å; C244-C255 WeakPolarHBondContact CB-SG 3.44Å; C244-C255 WeakPolarHBondContact SG-CB 3.13Å; C244-C255 CovalentContact SG-SG 2.04Å; C244-C255 PolarHBondContact SG-SG 2.03Å; C249-C255 PolarHBondContact SG-N 3.02Å; C255-R265 CarbonylContact C-O 3.51Å; C255-R265 WeakPolarHBondContact CA-O 3.48Å
256L98.1Very high95.8Very high9 Ų964.2 Ų64.25%0.04735%0.352CS..EExtended strand (participates in β ladder)trans-114.1124.8171.5-50.6-175.2000108.6G264 R265 A267 A300 L306L256-G264 CarbonylContact O-C 3.46Å; L256-G264 WeakPolarHBondContact O-CA 3Å; L256-R265 PolarHBondContact N-O 3.32Å; L256-R265 PolarHBondContact O-N 2.89Å; L256-A267 HydrophobicContact CD1-CB 3.68Å; L256-A267 HydrophobicContact CG-CB 4.11Å; L256-A300 HydrophobicContact CD1-CB 4.46Å; L256-A300 WeakPolarHBondContact CD2-O 3.49Å; L256-L306 HydrophobicContact CB-CB 4.29Å; L256-L306 HydrophobicContact CD1-CD1 4.3Å
257W98.2Very high95.7Very high25 Ų2561.7 Ų61.710%0.09534%0.342CS..EExtended strand (participates in β ladder)trans-91.4127.8-179.4-166.5-100.2000111.8A241 K242 S243 I247 F259 G304 L306A241-W257 HydrophobicContact CB-CH2 4.29Å; A241-W257 HydrophobicContact CB-CZ3 4.15Å; K242-W257 WeakPolarHBondContact O-CH2 3.44Å; K242-W257 WeakPolarHBondContact O-CZ2 3.5Å; S243-W257 VanDerWaalsContact C-CE3 3.42Å; S243-W257 VanDerWaalsContact CA-CZ3 3.42Å; S243-W257 WeakPolarHBondContact O-CZ3 3.46Å; I247-W257 HydrophobicContact CD1-CZ3 4.09Å; W257-F259 AromaticContact CD1-CD1 3.62Å; W257-F259 AromaticContact CD1-CE1 3.57Å; W257-F259 AromaticContact CD1-CE2 3.96Å; W257-F259 AromaticContact CD1-CG 3.84Å; W257-F259 AromaticContact CD1-CZ 3.75Å; W257-F259 AromaticContact NE1-CD1 3.89Å; W257-G304 PolarHBondContact N-O 2.96Å; W257-L306 PolarHBondContact O-N 2.71Å
258D96.8Very high95.6Very high27 Ų2766.3 Ų66.314%0.14437%0.366CS..EExtended strand (participates in β ladder)trans-96.1107170.9-175.7-15.1000109.9K260 V261 G262 R263 L306D258-K260 VanDerWaalsContact C-N 3.31Å; D258-K260 PolarHBondContact O-N 2.77Å; D258-K260 WeakPolarHBondContact OD1-CA 3.37Å; D258-K260 VanDerWaalsContact OD1-CB 3.3Å; D258-K260 WeakPolarHBondContact OD1-CB 3.01Å; D258-K260 PolarHBondContact OD1-N 2.85Å; D258-V261 HydrophobicContact CB-CG2 3.88Å; D258-V261 PolarHBondContact OD1-N 2.81Å; D258-V261 WeakPolarHBondContact OD2-CG2 3.24Å; D258-G262 VanDerWaalsContact O-CA 3.3Å; D258-G262 WeakPolarHBondContact O-CA 3.08Å; D258-G262 PolarHBondContact O-N 3.35Å; D258-R263 WeakPolarHBondContact CB-O 3.48Å; D258-R263 PolarHBondContact N-O 3.28Å; D258-R263 PolarHBondContact O-N 3.49Å; D258-L306 HydrophobicContact CB-CB 4.08Å; D258-L306 HydrophobicContact CB-CD2 3.76Å
259F94.3Very high95.4Very high149 Ų14960.3 Ų60.365%0.65434%0.342SS*.THydrogen-bonded Turntrans-71.4-21.5178.5-69.9-80.5000113.8W257 V305W257-F259 AromaticContact CD1-CD1 3.62Å; W257-F259 AromaticContact CD1-CE1 3.57Å; W257-F259 AromaticContact CD1-CE2 3.96Å; W257-F259 AromaticContact CD1-CG 3.84Å; W257-F259 AromaticContact CD1-CZ 3.75Å; W257-F259 AromaticContact NE1-CD1 3.89Å; F259-V305 HydrophobicContact CD2-CG1 3.88Å; F259-V305 HydrophobicContact CE2-CB 4.41Å; F259-V305 HydrophobicContact CE2-CG1 3.8Å; F259-V305 HydrophobicContact CE2-CG2 3.82Å
260K92.8Very high95Very high156 Ų15664 Ų6468%0.67836%0.359SS*.THydrogen-bonded Turntrans-71.5-39.7180-63179.3179.2175.20111.1D258D258-K260 VanDerWaalsContact C-N 3.31Å; D258-K260 PolarHBondContact O-N 2.77Å; D258-K260 WeakPolarHBondContact OD1-CA 3.37Å; D258-K260 VanDerWaalsContact OD1-CB 3.3Å; D258-K260 WeakPolarHBondContact OD1-CB 3.01Å; D258-K260 PolarHBondContact OD1-N 2.85Å
261V95.1Very high94.7Very high74 Ų7468.2 Ų68.245%0.44837%0.374SS..THydrogen-bonded Turntrans-106.5-9.2-178.6-51.80000113.7D258 R263D258-V261 HydrophobicContact CB-CG2 3.88Å; D258-V261 PolarHBondContact OD1-N 2.81Å; D258-V261 WeakPolarHBondContact OD2-CG2 3.24Å; V261-R263 HydrophobicContact CG2-CB 3.93Å; V261-R263 HydrophobicContact CG2-CG 4.17Å
262G96.6Very high94.7Very high38 Ų3871 Ų7139%0.39237%0.373SS..THydrogen-bonded Turntrans67.242.4-17900000113.3D258D258-G262 VanDerWaalsContact O-CA 3.3Å; D258-G262 WeakPolarHBondContact O-CA 3.08Å; D258-G262 PolarHBondContact O-N 3.35Å
263R97.2Very high94.8Very high97 Ų9770.1 Ų70.137%0.36636%0.357SS..EExtended strand (participates in β ladder)trans-139.5149.4-179.2-62.8-174-74.7-1471.9111.7N208 D209 D258 V261N208-R263 PolarHBondContact O-NE 2.78Å; N208-R263 PolarHBondContact O-NH2 3.01Å; D209-R263 PolarHBondContact O-NH1 3.41Å; D258-R263 WeakPolarHBondContact CB-O 3.48Å; D258-R263 PolarHBondContact N-O 3.28Å; D258-R263 PolarHBondContact O-N 3.49Å; V261-R263 HydrophobicContact CG2-CB 3.93Å; V261-R263 HydrophobicContact CG2-CG 4.17Å
264G97.6Very high94.5Very high5 Ų572.3 Ų72.35%0.05238%0.377CS..EExtended strand (participates in β ladder)trans-99.6153.8173.600000113.5L256L256-G264 CarbonylContact O-C 3.46Å; L256-G264 WeakPolarHBondContact O-CA 3Å
265R97.5Very high93.9Very high67 Ų6776.6 Ų76.625%0.25340%0.398SS..EExtended strand (participates in β ladder)trans-130.6138.9173.8171.8-177.6-57.2165.314109.6N208 A233 C255 L256N208-R265 PolarHBondContact ND2-NE 3.2Å; N208-R265 PolarHBondContact ND2-NH2 2.68Å; N208-R265 VanDerWaalsContact OD1-CZ 3.29Å; N208-R265 PolarHBondContact OD1-NE 3.41Å; N208-R265 PolarHBondContact OD1-NH2 2.99Å; N208-R265 VanDerWaalsContact OD1-NH2 3.14Å; A233-R265 CarbonylContact O-C 3.6Å; C255-R265 CarbonylContact C-O 3.51Å; C255-R265 WeakPolarHBondContact CA-O 3.48Å; L256-R265 PolarHBondContact N-O 3.32Å; L256-R265 PolarHBondContact O-N 2.89Å
266C98Very high93Very high17 Ų1777.8 Ų77.812%0.11541%0.407CS..EExtended strand (participates in β ladder)trans-87.1117.2169.6-65.30000110.1A233 C249 K253 K254A233-C266 PolarHBondContact O-N 2.04Å; C249-C266 WeakPolarHBondContact CA-SG 3.47Å; C249-C266 HydrophobicContact CB-CB 3.82Å; C249-C266 WeakPolarHBondContact CB-SG 3.4Å; C249-C266 WeakPolarHBondContact SG-CB 3.39Å; C249-C266 CovalentContact SG-SG 2.04Å; C249-C266 PolarHBondContact SG-SG 2.03Å; K253-C266 HydrophobicContact CB-CB 4.12Å; K253-C266 HydrophobicContact CD-CB 4.2Å; K254-C266 WeakPolarHBondContact O-CA 3.29Å
267A96.4Very high92.1Very high25 Ų2584.5 Ų84.521%0.20744%0.436CS..EExtended strand (participates in β ladder)trans-116.8151.9178.300000111.1K253 K254 L256K253-A267 CarbonylContact C-O 3.43Å; K253-A267 WeakPolarHBondContact CA-O 3.32Å; K253-A267 WeakPolarHBondContact CB-O 3.27Å; K254-A267 PolarHBondContact N-O 3.24Å; K254-A267 PolarHBondContact O-N 3.2Å; L256-A267 HydrophobicContact CD1-CB 3.68Å; L256-A267 HydrophobicContact CG-CB 4.11Å
268L94.9Very high90.9Very high105 Ų10588.1 Ų88.155%0.5547%0.465SS..EExtended strand (participates in β ladder)trans-73135.9166.9-69.7171.1000108.7K253K253-L268 HydrophobicContact CG-CD2 3.72Å; K253-L268 HydrophobicContact CG-CG 4.25Å
269C92.4Very high90.1Very high37 Ų3793.9 Ų93.925%0.2550%0.496CS..  trans-130.436.2-174.7-69.60000111.2K254 C301K254-C269 HydrophobicContact CD-CB 4.05Å; K254-C269 HydrophobicContact CG-CB 4.22Å; C269-C301 VanDerWaalsContact CA-SG 3.5Å; C269-C301 HydrophobicContact CB-CB 3.59Å; C269-C301 WeakPolarHBondContact CB-SG 3.36Å; C269-C301 WeakPolarHBondContact SG-CB 3.08Å; C269-C301 CovalentContact SG-SG 2.03Å; C269-C301 PolarHBondContact SG-SG 3.34Å
270D88.5Confident89.9Confident114 Ų11491.7 Ų91.761%0.6149%0.488SS*.  trans-112.71.3-175.961.4-23000113.4L272D270-L272 PolarHBondContact O-N 2.89Å
271E85.9Confident90Very high131 Ų13185.1 Ų85.161%0.61246%0.462SS*.PPolyproline II helixtrans-67.4127.2176.2-73.5-170.1158.600111.3
272L89.6Confident90Very high165 Ų16582 Ų8286%0.86444%0.444SS*.PPolyproline II helixtrans-89.5123.1169.9-63.5175.9000109.2D270D270-L272 PolarHBondContact O-N 2.89Å
273C89.7Confident90Very high42 Ų4280.3 Ų80.328%0.28443%0.425SS..PPolyproline II helixtrans-85.5122.4-178.6-62.10000111.8C294C273-C294 WeakPolarHBondContact CA-SG 3.41Å; C273-C294 HydrophobicContact CB-CB 3.88Å; C273-C294 WeakPolarHBondContact CB-SG 2.77Å; C273-C294 WeakPolarHBondContact SG-CB 3.46Å; C273-C294 PolarHBondContact SG-O 2.04Å; C273-C294 VanDerWaalsContact SG-O 3.39Å; C273-C294 CovalentContact SG-SG 2.04Å; C273-C294 PolarHBondContact SG-SG 2.97Å
274P89.8Confident90Very high103 Ų10375.7 Ų75.767%0.66941%0.408SS*.PPolyproline II helixtrans-69.1163.1171.429.6-33.5000111.3S276P274-S276 PolarHBondContact O-N 3.34Å
275E85.3Confident89.9Confident202 Ų20276.7 Ų76.794%0.94441%0.414SS*.PPolyproline II helixtrans-58.1124.3171.9-71.9-171.7169.200110.1
276S78.2Confident89.8Confident45 Ų4576.3 Ų76.332%0.31542%0.417SS..PPolyproline II helixtrans-99151.1-175.132.10000111.4P274 E280P274-S276 PolarHBondContact O-N 3.34Å; S276-E280 WeakPolarHBondContact CA-OE2 3.42Å; S276-E280 WeakPolarHBondContact CB-OE2 3.42Å
277K79Confident89.6Confident150 Ų15080.2 Ų80.265%0.65244%0.437SS*.PPolyproline II helixtrans-86.4158.9174-67.1-179.6-178.5176.60110.6D279 E280K277-D279 PolarHBondContact O-N 3.42Å; K277-D279 VanDerWaalsContact O-N 3.15Å; K277-E280 PolarHBondContact N-OE2 3.37Å; K277-E280 VanDerWaalsContact N-OE2 3.17Å; K277-E280 PolarHBondContact O-N 3.29Å; K277-E280 VanDerWaalsContact O-N 3.13Å
278S72.8Confident89.6Confident101 Ų10182 Ų8271%0.70645%0.445SS*.G310 helixtrans-54.1-34.5177.251.70000113.7E280 A281S278-E280 PolarHBondContact O-N 2.92Å; S278-A281 WeakPolarHBondContact O-CB 3.35Å; S278-A281 PolarHBondContact O-N 3.3Å
279D80.8Confident89.7Confident148 Ų14879.6 Ų79.679%0.79144%0.435SS*.G310 helixtrans-78.4-6.2-173.1-52-12.1000112.6K277K277-D279 PolarHBondContact O-N 3.42Å; K277-D279 VanDerWaalsContact O-N 3.15Å
280E90Very high89.8Confident104 Ų10479.1 Ų79.149%0.48643%0.428SS..G310 helixtrans-95.70.8177.2-62.6172.7167.500112.2S276 K277 S278 P291 S292S276-E280 WeakPolarHBondContact CA-OE2 3.42Å; S276-E280 WeakPolarHBondContact CB-OE2 3.42Å; K277-E280 PolarHBondContact N-OE2 3.37Å; K277-E280 VanDerWaalsContact N-OE2 3.17Å; K277-E280 PolarHBondContact O-N 3.29Å; K277-E280 VanDerWaalsContact O-N 3.13Å; S278-E280 PolarHBondContact O-N 2.92Å; E280-P291 CarbonylContact C-O 3.52Å; E280-S292 WeakPolarHBondContact O-CA 3.3Å
281A94.4Very high90.1Very high17 Ų1777.2 Ų77.214%0.1442%0.422CS..  trans-58.9146.7179.300000111.8S278 T289 Y290 P291 G313S278-A281 WeakPolarHBondContact O-CB 3.35Å; S278-A281 PolarHBondContact O-N 3.3Å; A281-T289 HydrophobicContact CB-CG2 4.41Å; A281-Y290 VanDerWaalsContact CA-O 3.28Å; A281-Y290 WeakPolarHBondContact CA-O 3.27Å; A281-P291 WeakPolarHBondContact CA-O 3.49Å; A281-P291 PolarHBondContact N-O 2.85Å; A281-G313 WeakPolarHBondContact O-CA 3.46Å; A281-G313 PolarHBondContact O-N 3.15Å
282V95.8Very high90.6Very high10 Ų1071.5 Ų71.56%0.06140%0.397CS..EExtended strand (participates in β ladder)trans-133.8145.7179.1-63.40000111.2T289 Y290 E293 M296 V309 G313V282-T289 WeakPolarHBondContact O-CA 3.41Å; V282-Y290 PolarHBondContact N-O 3.32Å; V282-Y290 PolarHBondContact O-N 3.2Å; V282-E293 HydrophobicContact CG1-CB 4.48Å; V282-M296 HydrophobicContact CG2-CB 4.32Å; V282-M296 HydrophobicContact CG2-SD 4.39Å; V282-V309 HydrophobicContact CB-CG1 4.19Å; V282-V309 HydrophobicContact CB-CG2 4.33Å; V282-V309 HydrophobicContact CG1-CG1 4.22Å; V282-V309 HydrophobicContact CG1-CG2 4.31Å; V282-V309 HydrophobicContact CG2-CG2 4.4Å; V282-G313 CarbonylContact C-O 3.14Å; V282-G313 WeakPolarHBondContact CA-O 3.41Å
283C96.6Very high90.8Very high1 Ų168.1 Ų68.11%0.00738%0.377CS..EExtended strand (participates in β ladder)trans-91.5120.9166.4-176.20000108.8K310 H311 G313 C315C283-K310 WeakPolarHBondContact O-CA 3.44Å; C283-K310 VanDerWaalsContact O-CB 3.32Å; C283-K310 WeakPolarHBondContact O-CB 3Å; C283-K310 PolarHBondContact O-N 3.49Å; C283-H311 VanDerWaalsContact CB-CE1 3.41Å; C283-H311 WeakPolarHBondContact CB-CE1 3.39Å; C283-H311 WeakPolarHBondContact CB-NE2 3.19Å; C283-H311 PolarHBondContact N-O 2.8Å; C283-H311 PolarHBondContact O-N 3.25Å; C283-G313 PolarHBondContact N-O 3Å; C283-C315 WeakPolarHBondContact CA-SG 3.36Å; C283-C315 HydrophobicContact CB-CB 3.94Å; C283-C315 WeakPolarHBondContact CB-SG 3.36Å; C283-C315 WeakPolarHBondContact SG-CA 3.34Å; C283-C315 WeakPolarHBondContact SG-CB 3.47Å; C283-C315 CovalentContact SG-SG 2.03Å; C283-C315 PolarHBondContact SG-SG 2.89Å
284A96.6Very high91.1Very high0 Ų067.5 Ų67.50%037%0.372CS..EExtended strand (participates in β ladder)trans-90.2173.4-178.800000112.6D286 N287 T288 Y290 M296 E308A284-D286 VanDerWaalsContact CB-OD1 3.31Å; A284-D286 WeakPolarHBondContact CB-OD1 3.05Å; A284-D286 PolarHBondContact O-N 2.77Å; A284-N287 WeakPolarHBondContact O-CA 3Å; A284-N287 PolarHBondContact O-N 2.84Å; A284-T288 PolarHBondContact N-O 3.17Å; A284-Y290 HydrophobicContact CB-CD2 3.58Å; A284-Y290 HydrophobicContact CB-CE2 3.5Å; A284-Y290 VanDerWaalsContact CB-CE2 3.5Å; A284-M296 HydrophobicContact CB-CG 3.76Å; A284-M296 HydrophobicContact CB-SD 3.58Å; A284-M296 VanDerWaalsContact CB-SD 3.58Å; A284-E308 CarbonylContact C-O 3.57Å; A284-E308 WeakPolarHBondContact CA-O 3.38Å
285S95.7Very high91.3Very high26 Ų2663.4 Ų63.418%0.18235%0.347CS..THydrogen-bonded Turntrans-65.3-16.6-177.453.50000115.3N287 L307 E308S285-N287 VanDerWaalsContact C-N 3.28Å; S285-L307 WeakPolarHBondContact OG-CA 3.47Å; S285-E308 PolarHBondContact N-O 3.01Å; S285-E308 PolarHBondContact OG-N 2.75Å; S285-E308 VanDerWaalsContact OG-N 3.11Å
286D94.9Very high91.8Very high59 Ų5954 Ų5432%0.31630%0.303SS..THydrogen-bonded Turntrans-86.92.5172.369.1-23.4000112.7A284 T288 Y290 L307A284-D286 VanDerWaalsContact CB-OD1 3.31Å; A284-D286 WeakPolarHBondContact CB-OD1 3.05Å; A284-D286 PolarHBondContact O-N 2.77Å; D286-T288 VanDerWaalsContact CG-OG1 3.22Å; D286-T288 PolarHBondContact O-N 2.95Å; D286-T288 WeakPolarHBondContact OD1-CB 3.41Å; D286-T288 PolarHBondContact OD1-N 2.97Å; D286-T288 PolarHBondContact OD1-OG1 2.82Å; D286-T288 VanDerWaalsContact OD2-CB 3.24Å; D286-T288 WeakPolarHBondContact OD2-CB 3.33Å; D286-T288 PolarHBondContact OD2-OG1 3.35Å; D286-Y290 PolarHBondContact OD2-OH 2.04Å; D286-L307 HydrophobicContact CB-CD2 3.87Å
287N95Very high92.6Very high99 Ų9956 Ų5653%0.52931%0.306SS..SBendtrans62.626.2-172.5-47.4-71.7000113.8A284 S285 K310 C315A284-N287 WeakPolarHBondContact O-CA 3Å; A284-N287 PolarHBondContact O-N 2.84Å; S285-N287 VanDerWaalsContact C-N 3.28Å; N287-K310 PolarHBondContact OD1-NZ 3.09Å; N287-C315 PolarHBondContact O-SG 2.88Å
288T96.4Very high93.4Very high62 Ų6254 Ų5438%0.3830%0.3SS..  trans-95.6138.2169.7-54.40000110.1A284 D286 Y290 C315A284-T288 PolarHBondContact N-O 3.17Å; D286-T288 VanDerWaalsContact CG-OG1 3.22Å; D286-T288 PolarHBondContact O-N 2.95Å; D286-T288 WeakPolarHBondContact OD1-CB 3.41Å; D286-T288 PolarHBondContact OD1-N 2.97Å; D286-T288 PolarHBondContact OD1-OG1 2.82Å; D286-T288 VanDerWaalsContact OD2-CB 3.24Å; D286-T288 WeakPolarHBondContact OD2-CB 3.33Å; D286-T288 PolarHBondContact OD2-OG1 3.35Å; T288-Y290 HydrophobicContact CG2-CD2 4.41Å; T288-Y290 HydrophobicContact CG2-CE2 3.91Å; T288-Y290 WeakPolarHBondContact O-CD2 3.45Å; T288-C315 PolarHBondContact O-SG 3.36Å
289T96.4Very high94.5Very high55 Ų5550.3 Ų50.334%0.33728%0.275SS..EExtended strand (participates in β ladder)trans-83.4124171.5-57.10000109.5A281 V282 S314 C315A281-T289 HydrophobicContact CB-CG2 4.41Å; V282-T289 WeakPolarHBondContact O-CA 3.41Å; T289-S314 PolarHBondContact OG1-OG 3.5Å; T289-S314 VanDerWaalsContact OG1-OG 3.07Å; T289-C315 PolarHBondContact OG1-N 2.82Å
290Y95.4Very high95.3Very high27 Ų2743.4 Ų43.411%0.10624%0.238CC..EExtended strand (participates in β ladder)trans-107.1147.1173.4-68.5-89000110.1A281 V282 A284 D286 T288 S292 M296 A299 L307A281-Y290 VanDerWaalsContact CA-O 3.28Å; A281-Y290 WeakPolarHBondContact CA-O 3.27Å; V282-Y290 PolarHBondContact N-O 3.32Å; V282-Y290 PolarHBondContact O-N 3.2Å; A284-Y290 HydrophobicContact CB-CD2 3.58Å; A284-Y290 HydrophobicContact CB-CE2 3.5Å; A284-Y290 VanDerWaalsContact CB-CE2 3.5Å; D286-Y290 PolarHBondContact OD2-OH 2.04Å; T288-Y290 HydrophobicContact CG2-CD2 4.41Å; T288-Y290 HydrophobicContact CG2-CE2 3.91Å; T288-Y290 WeakPolarHBondContact O-CD2 3.45Å; Y290-S292 PolarHBondContact O-N 3.36Å; Y290-M296 HydrophobicContact CD1-CB 4.19Å; Y290-M296 HydrophobicContact CD2-CB 3.88Å; Y290-M296 HydrophobicContact CD2-CG 3.8Å; Y290-M296 HydrophobicContact CE2-CB 4.48Å; Y290-M296 HydrophobicContact CE2-CG 4.06Å; Y290-M296 HydrophobicContact CG-CB 3.69Å; Y290-M296 HydrophobicContact CG-CG 4.15Å; Y290-A299 HydrophobicContact CD1-CB 4.23Å; Y290-A299 HydrophobicContact CE1-CB 3.38Å; Y290-L307 HydrophobicContact CE2-CD1 4.04Å; Y290-L307 VanDerWaalsContact OH-CD1 3.29Å; Y290-L307 WeakPolarHBondContact OH-CD1 3.47Å
291P95.1Very high95.6Very high74 Ų7439.2 Ų39.248%0.48122%0.22SC..SBendtrans-66.7-21.6-178.626.9-34.5000113E280 A281 A295E280-P291 CarbonylContact C-O 3.52Å; A281-P291 WeakPolarHBondContact CA-O 3.49Å; A281-P291 PolarHBondContact N-O 2.85Å; P291-A295 HydrophobicContact CG-CB 3.63Å
292S95.1Very high95.6Very high12 Ų1242.9 Ų42.98%0.08425%0.245CC..SBendtrans-157.6165171.259.60000111.4E280 Y290 C294 A295 M296E280-S292 WeakPolarHBondContact O-CA 3.3Å; Y290-S292 PolarHBondContact O-N 3.36Å; S292-C294 PolarHBondContact O-N 2.87Å; S292-A295 PolarHBondContact O-N 3.17Å; S292-A295 PolarHBondContact OG-N 3.09Å; S292-M296 PolarHBondContact O-N 3.18Å
293E94.4Very high95.6Very high94 Ų9447.9 Ų47.944%0.43927%0.269SS..Hα-helixtrans-58.2-32.1170.2-170.6-174.3150.300112V282 M296 K297 V309V282-E293 HydrophobicContact CG1-CB 4.48Å; E293-M296 HydrophobicContact CG-CE 4.07Å; E293-M296 WeakPolarHBondContact O-CB 3.07Å; E293-M296 PolarHBondContact O-N 2.89Å; E293-K297 WeakPolarHBondContact O-CG 3.48Å; E293-K297 PolarHBondContact O-N 3.43Å; E293-K297 WeakPolarHBondContact OE1-CE 3.34Å; E293-K297 IonicContact OE1-NZ 2.73Å; E293-K297 PolarHBondContact OE1-NZ 2.95Å; E293-V309 HydrophobicContact CB-CG2 4.45Å; E293-V309 HydrophobicContact CG-CG2 3.81Å
294C94.9Very high95.6Very high29 Ų2949 Ų4920%0.19628%0.281CS..Hα-helixtrans-65.2-50.6175.6-1690000111.3C273 S292 M296 K297 E298C273-C294 WeakPolarHBondContact CA-SG 3.41Å; C273-C294 HydrophobicContact CB-CB 3.88Å; C273-C294 WeakPolarHBondContact CB-SG 2.77Å; C273-C294 WeakPolarHBondContact SG-CB 3.46Å; C273-C294 PolarHBondContact SG-O 2.04Å; C273-C294 VanDerWaalsContact SG-O 3.39Å; C273-C294 CovalentContact SG-SG 2.04Å; C273-C294 PolarHBondContact SG-SG 2.97Å; S292-C294 PolarHBondContact O-N 2.87Å; C294-M296 PolarHBondContact O-N 3.42Å; C294-K297 WeakPolarHBondContact O-CB 3.26Å; C294-K297 PolarHBondContact O-N 3.3Å; C294-E298 PolarHBondContact O-N 2.88Å
295A95Very high95.6Very high17 Ų1750.6 Ų50.614%0.1429%0.291CS..Hα-helixtrans-61.1-3417800000112.2P291 S292 E298 A299P291-A295 HydrophobicContact CG-CB 3.63Å; S292-A295 PolarHBondContact O-N 3.17Å; S292-A295 PolarHBondContact OG-N 3.09Å; A295-E298 PolarHBondContact O-N 3.2Å; A295-A299 WeakPolarHBondContact O-CB 3.27Å; A295-A299 PolarHBondContact O-N 3.22Å
296M95.9Very high95.7Very high4 Ų450.5 Ų50.52%0.0229%0.288CS..Hα-helixtrans-61.7-45.9171.3-177.7-161.372.800111.7V282 A284 Y290 S292 E293 C294 A299 A300 L307 V309V282-M296 HydrophobicContact CG2-CB 4.32Å; V282-M296 HydrophobicContact CG2-SD 4.39Å; A284-M296 HydrophobicContact CB-CG 3.76Å; A284-M296 HydrophobicContact CB-SD 3.58Å; A284-M296 VanDerWaalsContact CB-SD 3.58Å; Y290-M296 HydrophobicContact CD1-CB 4.19Å; Y290-M296 HydrophobicContact CD2-CB 3.88Å; Y290-M296 HydrophobicContact CD2-CG 3.8Å; Y290-M296 HydrophobicContact CE2-CB 4.48Å; Y290-M296 HydrophobicContact CE2-CG 4.06Å; Y290-M296 HydrophobicContact CG-CB 3.69Å; Y290-M296 HydrophobicContact CG-CG 4.15Å; S292-M296 PolarHBondContact O-N 3.18Å; E293-M296 HydrophobicContact CG-CE 4.07Å; E293-M296 WeakPolarHBondContact O-CB 3.07Å; E293-M296 PolarHBondContact O-N 2.89Å; C294-M296 PolarHBondContact O-N 3.42Å; M296-A299 PolarHBondContact O-N 3.47Å; M296-A300 WeakPolarHBondContact O-CB 3.22Å; M296-A300 PolarHBondContact O-N 2.92Å; M296-L307 HydrophobicContact CG-CB 3.88Å; M296-L307 HydrophobicContact CG-CD1 4.18Å; M296-L307 HydrophobicContact SD-CB 4.2Å; M296-V309 HydrophobicContact CE-CG2 3.88Å; M296-V309 HydrophobicContact SD-CG2 3.95Å
297K95.4Very high95.8Very high86 Ų8648.3 Ų48.337%0.37428%0.276SS..Hα-helixtrans-65.1-39177.5-72.3172.5-175.8163.60112.2E293 C294 A300 C301E293-K297 WeakPolarHBondContact O-CG 3.48Å; E293-K297 PolarHBondContact O-N 3.43Å; E293-K297 WeakPolarHBondContact OE1-CE 3.34Å; E293-K297 IonicContact OE1-NZ 2.73Å; E293-K297 PolarHBondContact OE1-NZ 2.95Å; C294-K297 WeakPolarHBondContact O-CB 3.26Å; C294-K297 PolarHBondContact O-N 3.3Å; K297-A300 WeakPolarHBondContact O-CB 3.25Å; K297-A300 PolarHBondContact O-N 3.21Å; K297-C301 WeakPolarHBondContact O-CB 3.46Å; K297-C301 PolarHBondContact O-N 3.05Å; K297-C301 PolarHBondContact O-SG 2.67Å; K297-C301 VanDerWaalsContact O-SG 3.41Å
298E95.1Very high95.7Very high110 Ų11048.2 Ų48.251%0.51427%0.273SS..Hα-helixtrans-61.7-43.8174.6-175.6-180-163.500111.6C294 A295 C301 S302C294-E298 PolarHBondContact O-N 2.88Å; A295-E298 PolarHBondContact O-N 3.2Å; E298-C301 WeakPolarHBondContact O-CB 3.31Å; E298-C301 PolarHBondContact O-N 2.84Å; E298-S302 WeakPolarHBondContact O-CB 2.98Å; E298-S302 PolarHBondContact O-N 3Å; E298-S302 PolarHBondContact O-OG 3.31Å
299A95.6Very high95.7Very high23 Ų2348 Ų4819%0.1927%0.271CS..Hα-helixtrans-64.4-45.5175.100000112.1Y290 A295 M296 C301 S302 M303Y290-A299 HydrophobicContact CD1-CB 4.23Å; Y290-A299 HydrophobicContact CE1-CB 3.38Å; A295-A299 WeakPolarHBondContact O-CB 3.27Å; A295-A299 PolarHBondContact O-N 3.22Å; M296-A299 PolarHBondContact O-N 3.47Å; A299-C301 VanDerWaalsContact C-N 3.28Å; A299-C301 PolarHBondContact O-N 3.04Å; A299-S302 PolarHBondContact O-N 3.33Å; A299-S302 VanDerWaalsContact O-N 3.09Å; A299-M303 WeakPolarHBondContact O-CB 3.19Å; A299-M303 WeakPolarHBondContact O-CG 3Å; A299-M303 PolarHBondContact O-N 2.89Å
300A97.1Very high95.6Very high3 Ų351.5 Ų51.53%0.02528%0.282CS..Hα-helixtrans-53-47.6173.900000111.2L256 M296 K297 S302 M303 G304 V305 L307L256-A300 HydrophobicContact CD1-CB 4.46Å; L256-A300 WeakPolarHBondContact CD2-O 3.49Å; M296-A300 WeakPolarHBondContact O-CB 3.22Å; M296-A300 PolarHBondContact O-N 2.92Å; K297-A300 WeakPolarHBondContact O-CB 3.25Å; K297-A300 PolarHBondContact O-N 3.21Å; A300-S302 PolarHBondContact O-N 3.25Å; A300-M303 PolarHBondContact O-N 2.7Å; A300-G304 PolarHBondContact O-N 2.91Å; A300-V305 VanDerWaalsContact CA-O 3.28Å; A300-V305 WeakPolarHBondContact CA-O 3.48Å; A300-V305 VanDerWaalsContact CB-O 3.23Å; A300-V305 WeakPolarHBondContact CB-O 3.39Å; A300-V305 PolarHBondContact O-N 2.79Å; A300-L307 HydrophobicContact CB-CB 3.97Å; A300-L307 HydrophobicContact CB-CD1 4.04Å; A300-L307 HydrophobicContact CB-CG 3.9Å
301C96.2Very high95.4Very high16 Ų1652.1 Ų52.111%0.10829%0.286CS..Hα-helixtrans-63.1-36.2176.6-81.70000114.4C269 K297 E298 A299C269-C301 VanDerWaalsContact CA-SG 3.5Å; C269-C301 HydrophobicContact CB-CB 3.59Å; C269-C301 WeakPolarHBondContact CB-SG 3.36Å; C269-C301 WeakPolarHBondContact SG-CB 3.08Å; C269-C301 CovalentContact SG-SG 2.03Å; C269-C301 PolarHBondContact SG-SG 3.34Å; K297-C301 WeakPolarHBondContact O-CB 3.46Å; K297-C301 PolarHBondContact O-N 3.05Å; K297-C301 PolarHBondContact O-SG 2.67Å; K297-C301 VanDerWaalsContact O-SG 3.41Å; E298-C301 WeakPolarHBondContact O-CB 3.31Å; E298-C301 PolarHBondContact O-N 2.84Å; A299-C301 VanDerWaalsContact C-N 3.28Å; A299-C301 PolarHBondContact O-N 3.04Å
302S94.9Very high95.3Very high94 Ų9453.1 Ų53.166%0.65729%0.294SS*.Hα-helixtrans-74.5-35.1178.5-62.20000111.9E298 A299 A300E298-S302 WeakPolarHBondContact O-CB 2.98Å; E298-S302 PolarHBondContact O-N 3Å; E298-S302 PolarHBondContact O-OG 3.31Å; A299-S302 PolarHBondContact O-N 3.33Å; A299-S302 VanDerWaalsContact O-N 3.09Å; A300-S302 PolarHBondContact O-N 3.25Å
303M95.9Very high95.2Very high114 Ų11453.8 Ų53.856%0.56230%0.303SS*.Hα-helixtrans-86.1-19.9-179.5-65.2172.260.300113.6A299 A300 V305A299-M303 WeakPolarHBondContact O-CB 3.19Å; A299-M303 WeakPolarHBondContact O-CG 3Å; A299-M303 PolarHBondContact O-N 2.89Å; A300-M303 PolarHBondContact O-N 2.7Å; M303-V305 VanDerWaalsContact C-N 3.29Å; M303-V305 HydrophobicContact CB-CB 4.38Å; M303-V305 HydrophobicContact CB-CG2 4.18Å
304G96.9Very high95.1Very high26 Ų2651.1 Ų51.127%0.26829%0.294SS..THydrogen-bonded Turntrans7125-172.600000113.2W257 A300W257-G304 PolarHBondContact N-O 2.96Å; A300-G304 PolarHBondContact O-N 2.91Å
305V97.3Very high95.1Very high33 Ų3351.1 Ų51.120%0.230%0.295CS..BIsolated β-bridgetrans-122.4134.1-176.6-178.20000109F259 A300 M303 L307F259-V305 HydrophobicContact CD2-CG1 3.88Å; F259-V305 HydrophobicContact CE2-CB 4.41Å; F259-V305 HydrophobicContact CE2-CG1 3.8Å; F259-V305 HydrophobicContact CE2-CG2 3.82Å; A300-V305 VanDerWaalsContact CA-O 3.28Å; A300-V305 WeakPolarHBondContact CA-O 3.48Å; A300-V305 VanDerWaalsContact CB-O 3.23Å; A300-V305 WeakPolarHBondContact CB-O 3.39Å; A300-V305 PolarHBondContact O-N 2.79Å; M303-V305 VanDerWaalsContact C-N 3.29Å; M303-V305 HydrophobicContact CB-CB 4.38Å; M303-V305 HydrophobicContact CB-CG2 4.18Å; V305-L307 PolarHBondContact O-N 2.8Å
306L96.9Very high94.8Very high23 Ų2357.3 Ų57.312%0.1233%0.325CS..  trans-70.4122.7176.8-176.868.1000109.9L256 W257 D258 E308L256-L306 HydrophobicContact CB-CB 4.29Å; L256-L306 HydrophobicContact CD1-CD1 4.3Å; W257-L306 PolarHBondContact O-N 2.71Å; D258-L306 HydrophobicContact CB-CB 4.08Å; D258-L306 HydrophobicContact CB-CD2 3.76Å; L306-E308 HydrophobicContact CD2-CG 4.49Å; L306-E308 HydrophobicContact CG-CG 4.39Å
307L96.5Very high94Very high13 Ų1359.8 Ų59.87%0.06834%0.343CS..  trans-115.1133.6170.3-58.4178.3000109.9S285 D286 Y290 M296 A300 V305S285-L307 WeakPolarHBondContact OG-CA 3.47Å; D286-L307 HydrophobicContact CB-CD2 3.87Å; Y290-L307 HydrophobicContact CE2-CD1 4.04Å; Y290-L307 VanDerWaalsContact OH-CD1 3.29Å; Y290-L307 WeakPolarHBondContact OH-CD1 3.47Å; M296-L307 HydrophobicContact CG-CB 3.88Å; M296-L307 HydrophobicContact CG-CD1 4.18Å; M296-L307 HydrophobicContact SD-CB 4.2Å; A300-L307 HydrophobicContact CB-CB 3.97Å; A300-L307 HydrophobicContact CB-CD1 4.04Å; A300-L307 HydrophobicContact CB-CG 3.9Å; V305-L307 PolarHBondContact O-N 2.8Å
308E94.2Very high92.6Very high97 Ų9763.2 Ų63.245%0.45336%0.364SS..  trans-122.5149.6174.5-64.3-171.7152.500110A284 S285 L306 K310A284-E308 CarbonylContact C-O 3.57Å; A284-E308 WeakPolarHBondContact CA-O 3.38Å; S285-E308 PolarHBondContact N-O 3.01Å; S285-E308 PolarHBondContact OG-N 2.75Å; S285-E308 VanDerWaalsContact OG-N 3.11Å; L306-E308 HydrophobicContact CD2-CG 4.49Å; L306-E308 HydrophobicContact CG-CG 4.39Å; E308-K310 PolarHBondContact O-N 2.99Å
309V95Very high90.8Very high57 Ų5762.3 Ų62.335%0.34536%0.362SS..EExtended strand (participates in β ladder)trans-66.1123.4175.3178.50000109V282 E293 M296V282-V309 HydrophobicContact CB-CG1 4.19Å; V282-V309 HydrophobicContact CB-CG2 4.33Å; V282-V309 HydrophobicContact CG1-CG1 4.22Å; V282-V309 HydrophobicContact CG1-CG2 4.31Å; V282-V309 HydrophobicContact CG2-CG2 4.4Å; E293-V309 HydrophobicContact CB-CG2 4.45Å; E293-V309 HydrophobicContact CG-CG2 3.81Å; M296-V309 HydrophobicContact CE-CG2 3.88Å; M296-V309 HydrophobicContact SD-CG2 3.95Å
310K94.1Very high88.3Confident129 Ų12970 Ų7056%0.56139%0.394SS*.EExtended strand (participates in β ladder)trans-84.9-47173.5-169.9-174.2-177.6-174.80110.6C283 N287 E308C283-K310 WeakPolarHBondContact O-CA 3.44Å; C283-K310 VanDerWaalsContact O-CB 3.32Å; C283-K310 WeakPolarHBondContact O-CB 3Å; C283-K310 PolarHBondContact O-N 3.49Å; N287-K310 PolarHBondContact OD1-NZ 3.09Å; E308-K310 PolarHBondContact O-N 2.99Å
311H92.3Very high85.6Confident41 Ų4176.3 Ų76.319%0.1943%0.428CS..EExtended strand (participates in β ladder)trans-160.1162.7171.159.587.8000110.3C283 S314C283-H311 VanDerWaalsContact CB-CE1 3.41Å; C283-H311 WeakPolarHBondContact CB-CE1 3.39Å; C283-H311 WeakPolarHBondContact CB-NE2 3.19Å; C283-H311 PolarHBondContact N-O 2.8Å; C283-H311 PolarHBondContact O-N 3.25Å; H311-S314 PolarHBondContact CE1-O 3.1Å
312S92.9Very high83Confident95 Ų9581.3 Ų81.366%0.66446%0.46SS*.EExtended strand (participates in β ladder)trans-69.5153.9170.7-52.60000111.1
313G92.5Very high80.3Confident25 Ų2585.4 Ų85.426%0.25847%0.469SS..SBendtrans84.1-173.8-178.100000113.9A281 V282 C283A281-G313 WeakPolarHBondContact O-CA 3.46Å; A281-G313 PolarHBondContact O-N 3.15Å; V282-G313 CarbonylContact C-O 3.14Å; V282-G313 WeakPolarHBondContact CA-O 3.41Å; C283-G313 PolarHBondContact N-O 3Å
314S93.4Very high77.6Confident38 Ų3888.3 Ų88.327%0.26648%0.481SS..  trans-74.3147.8179.1179.20000111.7T289 H311 N316 S317T289-S314 PolarHBondContact OG1-OG 3.5Å; T289-S314 VanDerWaalsContact OG1-OG 3.07Å; H311-S314 PolarHBondContact CE1-O 3.1Å; S314-N316 PolarHBondContact O-N 3.42Å; S314-N316 VanDerWaalsContact O-N 3.13Å; S314-N316 PolarHBondContact OG-N 2.85Å; S314-S317 WeakPolarHBondContact CA-OG 3.43Å; S314-S317 WeakPolarHBondContact CB-OG 3.5Å; S314-S317 PolarHBondContact N-OG 3.43Å; S314-S317 WeakPolarHBondContact O-CB 3.17Å; S314-S317 PolarHBondContact O-N 2.9Å; S314-S317 PolarHBondContact O-OG 3.27Å
315C93.1Very high74.6Confident30 Ų3095.8 Ų95.820%0.20351%0.509CS..THydrogen-bonded Turntrans-60.4-20.3173.3-61.20000113.9C283 N287 T288 T289C283-C315 WeakPolarHBondContact CA-SG 3.36Å; C283-C315 HydrophobicContact CB-CB 3.94Å; C283-C315 WeakPolarHBondContact CB-SG 3.36Å; C283-C315 WeakPolarHBondContact SG-CA 3.34Å; C283-C315 WeakPolarHBondContact SG-CB 3.47Å; C283-C315 CovalentContact SG-SG 2.03Å; C283-C315 PolarHBondContact SG-SG 2.89Å; N287-C315 PolarHBondContact O-SG 2.88Å; T288-C315 PolarHBondContact O-SG 3.36Å; T289-C315 PolarHBondContact OG1-N 2.82Å
316N89.9Confident71.6Confident147 Ų147101.6 Ų101.679%0.78653%0.534SS*.THydrogen-bonded Turntrans-86.3-10.4177.3-64.9-24.8000113S314 I318S314-N316 PolarHBondContact O-N 3.42Å; S314-N316 VanDerWaalsContact O-N 3.13Å; S314-N316 PolarHBondContact OG-N 2.85Å; N316-I318 PolarHBondContact O-N 3.44Å
317S78.6Confident68.8Low55 Ų55108.8 Ų108.839%0.38557%0.567SS.*SBendtrans-75.3106.2172-9.40000107.1S314 N319S314-S317 WeakPolarHBondContact CA-OG 3.43Å; S314-S317 WeakPolarHBondContact CB-OG 3.5Å; S314-S317 PolarHBondContact N-OG 3.43Å; S314-S317 WeakPolarHBondContact O-CB 3.17Å; S314-S317 PolarHBondContact O-N 2.9Å; S314-S317 PolarHBondContact O-OG 3.27Å; S317-N319 PolarHBondContact O-N 2.92Å
318I66.1Low65.8Low159 Ų159114.7 Ų114.782%0.81560%0.598SS**  trans-67.2112.4168.9-54.1168.9000105.2N316 E320N316-I318 PolarHBondContact O-N 3.44Å; I318-E320 PolarHBondContact O-N 3.22Å; I318-E320 VanDerWaalsContact O-N 3.17Å
319N57.8Low63.2Low91 Ų91118.8 Ų118.849%0.48762%0.617SS.*  trans-68.9111.7167-71.8-33000106.5S317 D321S317-N319 PolarHBondContact O-N 2.92Å; N319-D321 PolarHBondContact O-N 3.4Å
320E43.2Very low60.7Low184 Ų184123.3 Ų123.386%0.8664%0.64SS**  trans-58.998.1152.6-71.5173171.200105.7I318I318-E320 PolarHBondContact O-N 3.22Å; I318-E320 VanDerWaalsContact O-N 3.17Å
321D40.3Very low58Low135 Ų135126 Ų12672%0.72266%0.655SS**  trans-58133.2159.6-78.2-40.6000106.3N319 E323N319-D321 PolarHBondContact O-N 3.4Å; D321-E323 PolarHBondContact O-N 3.01Å
322P41.5Very low55.2Low121 Ų121131.4 Ų131.479%0.78669%0.685SS**  trans-65.4103.8169.925.2-27.6000106.8E324P322-E324 PolarHBondContact O-N 3.22Å
323E37.1Very low52.5Low181 Ų181138 Ų13885%0.84670%0.697SS**  trans-49.6132.9161.3-73.6-177.916500107.5D321 E325D321-E323 PolarHBondContact O-N 3.01Å; E323-E325 PolarHBondContact O-N 3.43Å
324E39.2Very low49.8Very low175 Ų175141.2 Ų141.282%0.81872%0.715SS**  trans-50110.7172.8-64.7174.7153.800107.8P322 E326P322-E324 PolarHBondContact O-N 3.22Å; E324-E326 PolarHBondContact O-N 3.12Å
325E33.8Very low46.8Very low183 Ų183147.8 Ų147.886%0.85574%0.739SS**  trans-65.291163.2-74.1-177.7174.800106.3E323 E327E323-E325 PolarHBondContact O-N 3.43Å; E325-E327 PolarHBondContact O-N 3.03Å; E325-E327 VanDerWaalsContact O-N 3.09Å
326E36.2Very low44Very low154 Ų154152.6 Ų152.672%0.7277%0.77SS**  trans-60.9103.5156.8-69.4-165.215800106.5E324 D328E324-E326 PolarHBondContact O-N 3.12Å; E326-D328 PolarHBondContact O-N 3.33Å
327E36.3Very low41.5Very low174 Ų174153.1 Ų153.181%0.81377%0.772SS**  trans-66.683.5167.3-74179.2167.600108.6E325 E329E325-E327 PolarHBondContact O-N 3.03Å; E325-E327 VanDerWaalsContact O-N 3.09Å; E327-E329 VanDerWaalsContact C-N 3.3Å; E327-E329 PolarHBondContact O-N 3.2Å; E327-E329 VanDerWaalsContact O-N 3.12Å
328D35Very low39.5Very low137 Ų137155.4 Ų155.473%0.73379%0.788SS**  trans-75.783.3161.4-78.2-27.2000108.9E326 D330E326-D328 PolarHBondContact O-N 3.33Å; D328-D330 VanDerWaalsContact C-N 3.34Å; D328-D330 PolarHBondContact O-N 2.92Å
329E39Very low38Very low183 Ų183152 Ų15286%0.85578%0.778SS**  trans-79.381.5162.4-81.6-166.8163.100110.3E327E327-E329 VanDerWaalsContact C-N 3.3Å; E327-E329 PolarHBondContact O-N 3.2Å; E327-E329 VanDerWaalsContact O-N 3.12Å
330D42.8Very low36.8Very low152 Ų152154.6 Ų154.681%0.81379%0.79SS**  trans-108.995.9159.5-86.8-26000109.6D328D328-D330 VanDerWaalsContact C-N 3.34Å; D328-D330 PolarHBondContact O-N 2.92Å
331Q37.8Very low36.4Very low187 Ų187152.1 Ų152.187%0.87478%0.782SS**  trans-129.385.7160.5-76.6-171.615.500111.4
332D33.2Very low36.2Very low154 Ų154153 Ų15382%0.82478%0.782SS**  trans11.7105135.6-153.24.3000117.1
333Y36.5Very low36.2Very low233 Ų233162 Ų16291%0.91480%0.8SS**  trans-97.8104.2160.3-105.2-91.6000108.9
334S34.4Very low36.2Very low93 Ų93161.1 Ų161.165%0.6580%0.798SS**  trans-149.8105.5157.3-163.50000113
335F30.5Very low36Very low175 Ų175160.3 Ų160.377%0.76880%0.797SS**  trans22.2142.8146.7-59-83.6000121.9
336P35.2Very low36.1Very low132 Ų132159.1 Ų159.186%0.85779%0.794SS**  trans-103.2123.8135.523.6-9.3000111.4
337I36.5Very low36.1Very low158 Ų158159.4 Ų159.481%0.8180%0.798SS**  trans-81.3148.1166.1-70.4173.8000109.9
338S36.3Very low36.1Very low103 Ų103158.4 Ų158.472%0.7280%0.797SS**  trans113.7126.2149.3-153.30000110.6
339S34.5Very low36.2Very low87 Ų87159.9 Ų159.961%0.60880%0.801SS**  cis170.9152.13.240.60000103.8
340I34.3Very low36Very low145 Ų145158.2 Ų158.274%0.74480%0.798SS**  trans150.1124138.7-82.1164.1000113.2
341L33.6Very low35.5Very low133 Ų133158.7 Ų158.770%0.69680%0.796SS**  trans65.8110.6151.9-68.7163000118
342E36.9Very low35.3Very low153 Ų153156.3 Ų156.372%0.71579%0.79SS**  95.3128.174.3-111.1-173.5-141.300111.4
343W41.6Very low35.5Very low310 Ų310156.5 Ų156.5100%1.17479%0.787SS**  trans96.20167.7-57.230.4000116.2

Retrieved 343 of 343 residues in 149.9 ms (Link to these results)

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