A0A087WRA0_MOUSE Loading...

CMP-N-acetylneuraminate-poly-alpha-2,8-sialyltransferase

Catalyzes the transfer of a sialic acid from a CMP-linked sialic acid donor onto a terminal alpha-2,3-, alpha-2,6-, or alpha-2,8-linked sialic acid of an N-linked glycan protein acceptor through alpha-2,8-linkages. Therefore, participates in polysialic acid synthesis on various sialylated N-acetyllactosaminyl oligosaccharides, including NCAM1 N-glycans, FETUB N-glycans and AHSG. It is noteworthy that alpha-2,3-linked sialic acid is apparently a better acceptor than alpha-2,6-linked sialic acid.

AlphaFold DB , UniProt , Accession A0A087WRA0, Species MOUSE (Mus musculus, Mouse), Gene St8sia4, Length 266 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M51.4Low53.5Low224 Ų224153.3 Ų153.3100%1.10371%0.705SS**  03.90-71.9165.565.200116.3
2R50.1Low54.9Low230 Ų230146 Ų14687%0.86868%0.68SS**  trans-93.1-17.6178-92.4178.6173.2177.8-2.3115.8
3S50.8Low56.3Low94 Ų94141.8 Ų141.866%0.65766%0.663SS**Hα-helixtrans-81-35.9-176.7-173.90000113.3K6 R7S3-K6 PolarHBondContact O-N 3.31Å; S3-R7 PolarHBondContact O-N 3.45Å
4I51.3Low57.5Low124 Ų124135.9 Ų135.964%0.63665%0.645SS**Hα-helixtrans-69.3-37.7-177.4-63166.9000111.6K6 R7 W8I4-K6 PolarHBondContact O-N 3.11Å; I4-R7 PolarHBondContact O-N 2.99Å; I4-W8 VanDerWaalsContact O-CD1 3.31Å; I4-W8 PolarHBondContact O-N 3.33Å
5R50.5Low58.7Low205 Ų205133.7 Ų133.777%0.77464%0.638SS**Hα-helixtrans-63.2-40.5175.9-98.9-179176.6169.9-0.4112.9R7 W8 T9R5-R7 VanDerWaalsContact C-N 3.33Å; R5-R7 PolarHBondContact O-N 3.41Å; R5-W8 PolarHBondContact O-N 3.02Å; R5-T9 PolarHBondContact O-N 3.49Å; R5-T9 VanDerWaalsContact O-N 3.16Å; R5-T9 PolarHBondContact O-OG1 3.47Å
6K49.5Very low59.6Low155 Ų155133.1 Ų133.167%0.67464%0.639SS**Hα-helixtrans-65.5-34.8178.9-73.6-172.8176.2-172.50112.6S3 I4 T9 I10S3-K6 PolarHBondContact O-N 3.31Å; I4-K6 PolarHBondContact O-N 3.11Å; K6-T9 PolarHBondContact O-N 3.11Å; K6-I10 WeakPolarHBondContact O-CD1 3.44Å; K6-I10 VanDerWaalsContact O-CG1 3.3Å; K6-I10 WeakPolarHBondContact O-CG1 3.34Å; K6-I10 PolarHBondContact O-N 3.45Å; K6-I10 VanDerWaalsContact O-N 3.12Å
7R51.9Low60.4Low196 Ų196131.6 Ų131.674%0.7464%0.635SS**Hα-helixtrans-67-37.9178-126.5177-177.1-159.7-0112.3S3 I4 R5 C11S3-R7 PolarHBondContact O-N 3.45Å; I4-R7 PolarHBondContact O-N 2.99Å; R5-R7 VanDerWaalsContact C-N 3.33Å; R5-R7 PolarHBondContact O-N 3.41Å; R7-C11 PolarHBondContact O-N 3.19Å; R7-C11 VanDerWaalsContact O-N 3.1Å
8W50.6Low61.4Low191 Ų191129.8 Ų129.872%0.72363%0.628SS**Hα-helixtrans-70.9-37175.7-81.369.3000112.9I4 R5 I10 C11 T12I4-W8 VanDerWaalsContact O-CD1 3.31Å; I4-W8 PolarHBondContact O-N 3.33Å; R5-W8 PolarHBondContact O-N 3.02Å; W8-I10 VanDerWaalsContact C-N 3.35Å; W8-C11 PolarHBondContact O-N 3.32Å; W8-T12 WeakPolarHBondContact O-CG2 3.49Å; W8-T12 PolarHBondContact O-N 3.48Å; W8-T12 PolarHBondContact O-OG1 3.23Å
9T57.7Low62Low78 Ų78130.8 Ų130.848%0.47963%0.629SS.*Hα-helixtrans-67.1-36.1175.9-37.50000111.9R5 K6 T12 I13R5-T9 PolarHBondContact O-N 3.49Å; R5-T9 VanDerWaalsContact O-N 3.16Å; R5-T9 PolarHBondContact O-OG1 3.47Å; K6-T9 PolarHBondContact O-N 3.11Å; T9-T12 WeakPolarHBondContact CA-OG1 3.45Å; T9-T12 PolarHBondContact O-OG1 2.96Å; T9-I13 HydrophobicContact CG2-CD1 4.25Å; T9-I13 WeakPolarHBondContact O-CD1 3.25Å; T9-I13 VanDerWaalsContact O-CG1 3.25Å; T9-I13 WeakPolarHBondContact O-CG1 3.45Å; T9-I13 PolarHBondContact O-N 3.36Å; T9-I13 VanDerWaalsContact O-N 3.13Å
10I62.3Low62.3Low111 Ų111132.1 Ų132.157%0.56963%0.628SS**Hα-helixtrans-71.3-42.5176.8-65.7165.8000110.9K6 W8 T12 I13 S14K6-I10 WeakPolarHBondContact O-CD1 3.44Å; K6-I10 VanDerWaalsContact O-CG1 3.3Å; K6-I10 WeakPolarHBondContact O-CG1 3.34Å; K6-I10 PolarHBondContact O-N 3.45Å; K6-I10 VanDerWaalsContact O-N 3.12Å; W8-I10 VanDerWaalsContact C-N 3.35Å; I10-T12 VanDerWaalsContact C-N 3.34Å; I10-T12 PolarHBondContact O-N 3.05Å; I10-I13 PolarHBondContact O-N 3.46Å; I10-S14 PolarHBondContact O-N 3.22Å; I10-S14 PolarHBondContact O-OG 3.44Å
11C63.1Low62.5Low78 Ų78132.9 Ų132.953%0.52763%0.629SS.*Hα-helixtrans-62-39.2175.7-80.50000112.8R7 W8 S14 L15R7-C11 PolarHBondContact O-N 3.19Å; R7-C11 VanDerWaalsContact O-N 3.1Å; W8-C11 PolarHBondContact O-N 3.32Å; C11-S14 PolarHBondContact O-N 3.09Å; C11-L15 WeakPolarHBondContact O-CB 3.48Å; C11-L15 WeakPolarHBondContact O-CG 3.25Å; C11-L15 PolarHBondContact O-N 3.17Å
12T69.2Low63.1Low66 Ų66125.6 Ų125.641%0.40560%0.597SS.*Hα-helixtrans-69.9-38.5178.845.70000112.3W8 T9 I10 L15 L16W8-T12 WeakPolarHBondContact O-CG2 3.49Å; W8-T12 PolarHBondContact O-N 3.48Å; W8-T12 PolarHBondContact O-OG1 3.23Å; T9-T12 WeakPolarHBondContact CA-OG1 3.45Å; T9-T12 PolarHBondContact O-OG1 2.96Å; I10-T12 VanDerWaalsContact C-N 3.34Å; I10-T12 PolarHBondContact O-N 3.05Å; T12-L15 PolarHBondContact O-N 2.91Å; T12-L16 WeakPolarHBondContact O-CB 3.44Å; T12-L16 VanDerWaalsContact O-CG 3.31Å; T12-L16 WeakPolarHBondContact O-CG 3.44Å; T12-L16 PolarHBondContact O-N 3.12Å
13I74.3Confident63.7Low91 Ų91121.5 Ų121.547%0.46759%0.586SS.*Hα-helixtrans-66-42.8174.1-67.9167.3000111T9 I10 L15 L16 L17T9-I13 HydrophobicContact CG2-CD1 4.25Å; T9-I13 WeakPolarHBondContact O-CD1 3.25Å; T9-I13 VanDerWaalsContact O-CG1 3.25Å; T9-I13 WeakPolarHBondContact O-CG1 3.45Å; T9-I13 PolarHBondContact O-N 3.36Å; T9-I13 VanDerWaalsContact O-N 3.13Å; I10-I13 PolarHBondContact O-N 3.46Å; I13-L15 PolarHBondContact O-N 3.42Å; I13-L16 PolarHBondContact O-N 2.91Å; I13-L17 HydrophobicContact CG2-CD1 4.01Å; I13-L17 HydrophobicContact CG2-CG 4.46Å; I13-L17 WeakPolarHBondContact O-CB 3.34Å; I13-L17 WeakPolarHBondContact O-CG 3.24Å; I13-L17 PolarHBondContact O-N 3.41Å
14S72.9Confident63.9Low59 Ų59121.6 Ų121.641%0.41358%0.576SS.*Hα-helixtrans-63.1-41.4176.6-64.20000112.3I10 C11 L17 I18I10-S14 PolarHBondContact O-N 3.22Å; I10-S14 PolarHBondContact O-OG 3.44Å; C11-S14 PolarHBondContact O-N 3.09Å; S14-L17 PolarHBondContact O-N 3.38Å; S14-I18 WeakPolarHBondContact O-CD1 3.38Å; S14-I18 VanDerWaalsContact O-CG1 3.24Å; S14-I18 WeakPolarHBondContact O-CG1 3.32Å; S14-I18 PolarHBondContact O-N 3.44Å
15L74.9Confident64.1Low103 Ų103119.8 Ų119.854%0.53957%0.567SS.*Hα-helixtrans-65.7-40.3175.7-79.4164.5000112.3C11 T12 I13 I18 F19C11-L15 WeakPolarHBondContact O-CB 3.48Å; C11-L15 WeakPolarHBondContact O-CG 3.25Å; C11-L15 PolarHBondContact O-N 3.17Å; T12-L15 PolarHBondContact O-N 2.91Å; I13-L15 PolarHBondContact O-N 3.42Å; L15-I18 PolarHBondContact O-N 2.9Å; L15-F19 WeakPolarHBondContact O-CB 3.34Å; L15-F19 PolarHBondContact O-N 3.47Å
16L73.1Confident64.1Low124 Ų124112.3 Ų112.365%0.64955%0.548SS*.Hα-helixtrans-65.9-38.8175.6-77167.6000112.3T12 I13 F19 Y20T12-L16 WeakPolarHBondContact O-CB 3.44Å; T12-L16 VanDerWaalsContact O-CG 3.31Å; T12-L16 WeakPolarHBondContact O-CG 3.44Å; T12-L16 PolarHBondContact O-N 3.12Å; I13-L16 PolarHBondContact O-N 2.91Å; L16-F19 PolarHBondContact O-N 3.04Å; L16-Y20 VanDerWaalsContact O-CB 3.29Å; L16-Y20 WeakPolarHBondContact O-CB 3.49Å; L16-Y20 PolarHBondContact O-N 3.22Å
17L72.7Confident64.2Low108 Ų108112.8 Ų112.857%0.56555%0.546SS*.Hα-helixtrans-66.9-39.7174.9-75.3170.9000111.7I13 S14 Y20 K21I13-L17 HydrophobicContact CG2-CD1 4.01Å; I13-L17 HydrophobicContact CG2-CG 4.46Å; I13-L17 WeakPolarHBondContact O-CB 3.34Å; I13-L17 WeakPolarHBondContact O-CG 3.24Å; I13-L17 PolarHBondContact O-N 3.41Å; S14-L17 PolarHBondContact O-N 3.38Å; L17-Y20 PolarHBondContact O-N 3.4Å; L17-K21 WeakPolarHBondContact O-CB 3.39Å; L17-K21 PolarHBondContact O-N 2.71Å
18I78.3Confident64.1Low100 Ų100107.1 Ų107.151%0.51353%0.534SS..Hα-helixtrans-63-47.8173.8-68.5164.7000110S14 L15 Y20 K21 T22S14-I18 WeakPolarHBondContact O-CD1 3.38Å; S14-I18 VanDerWaalsContact O-CG1 3.24Å; S14-I18 WeakPolarHBondContact O-CG1 3.32Å; S14-I18 PolarHBondContact O-N 3.44Å; L15-I18 PolarHBondContact O-N 2.9Å; I18-Y20 VanDerWaalsContact C-N 3.33Å; I18-Y20 PolarHBondContact O-N 3.05Å; I18-K21 PolarHBondContact O-N 3.02Å; I18-T22 HydrophobicContact CG2-CG2 4.33Å; I18-T22 WeakPolarHBondContact O-CG2 3.14Å; I18-T22 PolarHBondContact O-N 3.07Å; I18-T22 PolarHBondContact O-OG1 3.46Å
19F73Confident64.1Low148 Ų148103.6 Ų103.665%0.64953%0.525SS*.Hα-helixtrans-61.2-38.4176.2-105.4-84.6000113.1L15 L16 T22 K23L15-F19 WeakPolarHBondContact O-CB 3.34Å; L15-F19 PolarHBondContact O-N 3.47Å; L16-F19 PolarHBondContact O-N 3.04Å; F19-T22 WeakPolarHBondContact CA-OG1 3.28Å; F19-T22 PolarHBondContact O-OG1 3.29Å; F19-T22 VanDerWaalsContact O-OG1 3.12Å; F19-K23 WeakPolarHBondContact O-CB 3.15Å; F19-K23 PolarHBondContact O-N 3.13Å
20Y68.4Low63.6Low157 Ų157106.2 Ų106.262%0.61653%0.532SS*.Hα-helixtrans-68-42.4176.3-171.9-96.6000110.9L16 L17 I18 K23 E24L16-Y20 VanDerWaalsContact O-CB 3.29Å; L16-Y20 WeakPolarHBondContact O-CB 3.49Å; L16-Y20 PolarHBondContact O-N 3.22Å; L17-Y20 PolarHBondContact O-N 3.4Å; I18-Y20 VanDerWaalsContact C-N 3.33Å; I18-Y20 PolarHBondContact O-N 3.05Å; Y20-K23 PolarHBondContact O-N 2.88Å; Y20-E24 HydrophobicContact CD1-CG 4.38Å; Y20-E24 HydrophobicContact CE1-CG 4.03Å; Y20-E24 WeakPolarHBondContact O-CB 3.23Å; Y20-E24 PolarHBondContact O-N 3.14Å
21K67.1Low62.6Low148 Ų148107.2 Ų107.264%0.64353%0.534SS*.Hα-helixtrans-69.6-38.3178.8-137.1-163.6-174.2-164.60112.2L17 I18 E24 I25L17-K21 WeakPolarHBondContact O-CB 3.39Å; L17-K21 PolarHBondContact O-N 2.71Å; I18-K21 PolarHBondContact O-N 3.02Å; K21-E24 PolarHBondContact O-N 3.4Å; K21-I25 WeakPolarHBondContact O-CB 3.17Å; K21-I25 WeakPolarHBondContact O-CD1 3.21Å; K21-I25 WeakPolarHBondContact O-CG1 3.43Å; K21-I25 PolarHBondContact O-N 3.11Å
22T64.3Low61.4Low72 Ų72109.4 Ų109.444%0.44254%0.536SS..Hα-helixtrans-70.1-34.3174.753.40000111.6I18 F19 I25 A26I18-T22 HydrophobicContact CG2-CG2 4.33Å; I18-T22 WeakPolarHBondContact O-CG2 3.14Å; I18-T22 PolarHBondContact O-N 3.07Å; I18-T22 PolarHBondContact O-OG1 3.46Å; F19-T22 WeakPolarHBondContact CA-OG1 3.28Å; F19-T22 PolarHBondContact O-OG1 3.29Å; F19-T22 VanDerWaalsContact O-OG1 3.12Å; T22-I25 PolarHBondContact O-N 2.62Å; T22-A26 VanDerWaalsContact O-CB 3.3Å; T22-A26 WeakPolarHBondContact O-CB 3.37Å; T22-A26 PolarHBondContact O-N 3.16Å
23K62.3Low59.9Low144 Ų144112.6 Ų112.663%0.62655%0.547SS*.Hα-helixtrans-69.2-36.4173-166.6174.3-175.5174.50112.6F19 Y20 R27F19-K23 WeakPolarHBondContact O-CB 3.15Å; F19-K23 PolarHBondContact O-N 3.13Å; Y20-K23 PolarHBondContact O-N 2.88Å; K23-R27 VanDerWaalsContact O-CB 3.25Å; K23-R27 WeakPolarHBondContact O-CB 3.44Å; K23-R27 PolarHBondContact O-N 3.16Å
24E54.4Low58.1Low96 Ų96113.2 Ų113.245%0.44956%0.555SS.*Hα-helixtrans-65.1-43.8170.9-89-86127.100111.8Y20 K21 R27 T28Y20-E24 HydrophobicContact CD1-CG 4.38Å; Y20-E24 HydrophobicContact CE1-CG 4.03Å; Y20-E24 WeakPolarHBondContact O-CB 3.23Å; Y20-E24 PolarHBondContact O-N 3.14Å; K21-E24 PolarHBondContact O-N 3.4Å; E24-R27 PolarHBondContact O-N 3.06Å; E24-T28 WeakPolarHBondContact O-CB 3.05Å; E24-T28 PolarHBondContact O-N 3.17Å; E24-T28 PolarHBondContact O-OG1 3.21Å
25I55.9Low56.4Low86 Ų86117.8 Ų117.844%0.44157%0.57SS.*Hα-helixtrans-64.1-47.3176.9-68.5162.7000110.5K21 T22 R27 T28 E29K21-I25 WeakPolarHBondContact O-CB 3.17Å; K21-I25 WeakPolarHBondContact O-CD1 3.21Å; K21-I25 WeakPolarHBondContact O-CG1 3.43Å; K21-I25 PolarHBondContact O-N 3.11Å; T22-I25 PolarHBondContact O-N 2.62Å; I25-R27 VanDerWaalsContact C-N 3.28Å; I25-R27 PolarHBondContact O-N 3.35Å; I25-T28 CarbonylContact O-C 3.59Å; I25-T28 WeakPolarHBondContact O-CA 3.38Å; I25-T28 WeakPolarHBondContact O-CB 3.39Å; I25-T28 PolarHBondContact O-N 2.55Å; I25-E29 HydrophobicContact CG2-CG 4.49Å; I25-E29 WeakPolarHBondContact O-CG 3.48Å; I25-E29 PolarHBondContact O-N 3Å
26A51.2Low54.4Low47 Ų47119.6 Ų119.639%0.38858%0.579SS.*Hα-helixtrans-61.5-35.5175.700000112.5T22 T28 E30T22-A26 VanDerWaalsContact O-CB 3.3Å; T22-A26 WeakPolarHBondContact O-CB 3.37Å; T22-A26 PolarHBondContact O-N 3.16Å; A26-T28 VanDerWaalsContact C-N 3.32Å; A26-E30 WeakPolarHBondContact O-CB 3.22Å; A26-E30 PolarHBondContact O-N 3.12Å
27R50.2Low52.7Low165 Ų165120.6 Ų120.662%0.62358%0.584SS**Hα-helixtrans-70.8-29.8174.6-157.6-179.6-161.3126.47.1112.3K23 E24 I25 H31K23-R27 VanDerWaalsContact O-CB 3.25Å; K23-R27 WeakPolarHBondContact O-CB 3.44Å; K23-R27 PolarHBondContact O-N 3.16Å; E24-R27 PolarHBondContact O-N 3.06Å; I25-R27 VanDerWaalsContact C-N 3.28Å; I25-R27 PolarHBondContact O-N 3.35Å; R27-H31 WeakPolarHBondContact O-CB 3.26Å; R27-H31 PolarHBondContact O-N 3.06Å; R27-H31 VanDerWaalsContact O-N 3.09Å
28T50.3Low50.5Low78 Ų78118.5 Ų118.548%0.47959%0.588SS.*Hα-helixtrans-76.4-37.8176.4-48.30000110.7E24 I25 A26 H31 Q32E24-T28 WeakPolarHBondContact O-CB 3.05Å; E24-T28 PolarHBondContact O-N 3.17Å; E24-T28 PolarHBondContact O-OG1 3.21Å; I25-T28 CarbonylContact O-C 3.59Å; I25-T28 WeakPolarHBondContact O-CA 3.38Å; I25-T28 WeakPolarHBondContact O-CB 3.39Å; I25-T28 PolarHBondContact O-N 2.55Å; A26-T28 VanDerWaalsContact C-N 3.32Å; T28-H31 PolarHBondContact O-N 2.78Å; T28-Q32 PolarHBondContact O-N 3.38Å
29E50.1Low48.5Very low116 Ų116122.8 Ų122.854%0.54261%0.612SS.*Hα-helixtrans-68.6-43172.8-72.2175171.100111.5I25 H31 Q32 E33I25-E29 HydrophobicContact CG2-CG 4.49Å; I25-E29 WeakPolarHBondContact O-CG 3.48Å; I25-E29 PolarHBondContact O-N 3Å; E29-H31 VanDerWaalsContact C-N 3.29Å; E29-H31 PolarHBondContact O-N 2.91Å; E29-Q32 CarbonylContact O-C 3.6Å; E29-Q32 PolarHBondContact O-N 2.94Å; E29-Q32 VanDerWaalsContact O-N 3.09Å; E29-E33 PolarHBondContact O-N 3.18Å
30E48.5Very low46.4Very low134 Ų134118.3 Ų118.363%0.62661%0.608SS**Hα-helixtrans-60.4-37.5171.1-87.7-175.516300111.7A26 Q32 T34A26-E30 WeakPolarHBondContact O-CB 3.22Å; A26-E30 PolarHBondContact O-N 3.12Å; E30-Q32 VanDerWaalsContact C-N 3.32Å; E30-T34 WeakPolarHBondContact O-CB 3.48Å; E30-T34 PolarHBondContact O-N 3.13Å; E30-T34 PolarHBondContact O-OG1 3Å
31H39.9Very low44.7Very low131 Ų131120.4 Ų120.461%0.60662%0.623SS**Hα-helixtrans-71.5-25.1175.9-130.645.2000113.1R27 T28 E29 Q35R27-H31 WeakPolarHBondContact O-CB 3.26Å; R27-H31 PolarHBondContact O-N 3.06Å; R27-H31 VanDerWaalsContact O-N 3.09Å; T28-H31 PolarHBondContact O-N 2.78Å; E29-H31 VanDerWaalsContact C-N 3.29Å; E29-H31 PolarHBondContact O-N 2.91Å; H31-Q35 WeakPolarHBondContact O-CG 3.38Å
32Q38.7Very low42.8Very low124 Ų124121 Ų12158%0.57963%0.632SS**Hα-helixtrans-81.5-38.9173.3-105.5175.2-24.600112.1T28 E29 E30 Q35 L36T28-Q32 PolarHBondContact O-N 3.38Å; E29-Q32 CarbonylContact O-C 3.6Å; E29-Q32 PolarHBondContact O-N 2.94Å; E29-Q32 VanDerWaalsContact O-N 3.09Å; E30-Q32 VanDerWaalsContact C-N 3.32Å; Q32-Q35 PolarHBondContact O-N 3.05Å; Q32-L36 WeakPolarHBondContact O-CG 3.37Å; Q32-L36 PolarHBondContact O-N 3.47Å
33E38.4Very low41.1Very low134 Ų134123.3 Ų123.363%0.62665%0.65SS**Hα-helixtrans-73.2-36.1175.9-78.1-170.4155.500112.7E29 Q35 L36 I37E29-E33 PolarHBondContact O-N 3.18Å; E33-Q35 PolarHBondContact O-N 3.26Å; E33-L36 PolarHBondContact O-N 2.92Å; E33-I37 PolarHBondContact O-N 3.29Å; E33-I37 VanDerWaalsContact O-N 3.14Å
34T35.2Very low39.5Very low104 Ų104123.8 Ų123.864%0.63866%0.659SS**THydrogen-bonded Turntrans-69.9-12.2171.639.10000113.9E30E30-T34 WeakPolarHBondContact O-CB 3.48Å; E30-T34 PolarHBondContact O-N 3.13Å; E30-T34 PolarHBondContact O-OG1 3Å
35Q36.5Very low38.4Very low154 Ų154124.8 Ų124.872%0.7268%0.677SS**THydrogen-bonded Turntrans-90.1-13.6168-78.2-173.8-5.800113.6H31 Q32 E33H31-Q35 WeakPolarHBondContact O-CG 3.38Å; Q32-Q35 PolarHBondContact O-N 3.05Å; E33-Q35 PolarHBondContact O-N 3.26Å
36L34.8Very low37.9Very low142 Ų142128 Ų12874%0.74368%0.683SS**THydrogen-bonded Turntrans-106.1-13-176.1-75.8165.8000114.1Q32 E33Q32-L36 WeakPolarHBondContact O-CG 3.37Å; Q32-L36 PolarHBondContact O-N 3.47Å; E33-L36 PolarHBondContact O-N 2.92Å
37I35.7Very low37.2Very low145 Ų145129.1 Ų129.174%0.74469%0.688SS**SBendtrans-12785.9176.7-50.9-178.7000109.1E33E33-I37 PolarHBondContact O-N 3.29Å; E33-I37 VanDerWaalsContact O-N 3.14Å
38G28.3Very low36.8Very low64 Ų64124.6 Ų124.666%0.6668%0.676SS**  trans-159.572.4175.500000109.1G40G38-G40 PolarHBondContact O-N 2.77Å
39D36.3Very low36.2Very low190 Ų190125.1 Ų125.1100%1.01668%0.679SS**  trans-63.480.6161.9-85.8-25000108.5
40G28.9Very low35.1Very low54 Ų54126.1 Ų126.156%0.55769%0.688SS**  trans-125.8108.8167.500000106.4G38 L42G38-G40 PolarHBondContact O-N 2.77Å; G40-L42 PolarHBondContact O-N 3.01Å
41E32.6Very low34.4Very low201 Ų201124.5 Ų124.594%0.93969%0.692SS**  trans-45.595.7177.6-158.3172.5-165.700110.9C43E41-C43 PolarHBondContact O-N 3.03Å
42L26.7Very low34Very low159 Ų159123.3 Ų123.383%0.83270%0.698SS**  trans-67.197.7173.5-94.7158.6000107.4G40 L44G40-L42 PolarHBondContact O-N 3.01Å; L42-L44 PolarHBondContact O-N 2.83Å
43C27.3Very low33.7Very low122 Ų122124.5 Ų124.582%0.82471%0.708SS**  trans-63.984.5169.7-170.50000109.4E41 S45E41-C43 PolarHBondContact O-N 3.03Å; C43-S45 PolarHBondContact O-N 3.35Å
44L29.4Very low33.7Very low154 Ų154127.9 Ų127.981%0.80672%0.721SS**  trans-63.1110.5169.8-90.7155.4000108.3L42 R46L42-L44 PolarHBondContact O-N 2.83Å; L44-R46 PolarHBondContact O-N 2.91Å; L44-R46 VanDerWaalsContact O-N 3.16Å
45S31.9Very low33.4Very low117 Ų117130.9 Ų130.982%0.81873%0.731SS**PPolyproline II helixtrans-56.9119169.8-59.10000109C43C43-S45 PolarHBondContact O-N 3.35Å
46R44.2Very low33.2Very low153 Ų153130.2 Ų130.258%0.57773%0.731SS**PPolyproline II helixtrans-73135.9-161-143.3-174.8-168.3160.310.2113.6L44 V68L44-R46 PolarHBondContact O-N 2.91Å; L44-R46 VanDerWaalsContact O-N 3.16Å; R46-V68 VanDerWaalsContact CZ-CG1 3.42Å
47S37.5Very low33.4Very low70 Ų70134.5 Ų134.549%0.4974%0.737SS.*PPolyproline II helixtrans-64.4135.5154.4177.50000109.6
48L42.3Very low33.2Very low70 Ų70137.1 Ų137.137%0.36674%0.743SS.*  trans-134.1123.3167.5-76.2172.2000110.8W71L48-W71 HydrophobicContact CD1-CB 3.42Å; L48-W71 VanDerWaalsContact CD1-CB 3.42Å; L48-W71 HydrophobicContact CD1-CD2 3.4Å; L48-W71 VanDerWaalsContact CD1-CD2 3.4Å; L48-W71 HydrophobicContact CD1-CE3 3.65Å; L48-W71 HydrophobicContact CD1-CG 3.32Å; L48-W71 HydrophobicContact CD2-CB 4.35Å
49V36Very low33.6Very low90 Ų90139.1 Ų139.155%0.54575%0.753SS.*  trans-91.3134.7161.5170.90000106.4
50N28.4Very low33.4Very low136 Ų136133.4 Ų133.473%0.72774%0.74SS**  trans-141.294.5163.3-154.421000110.4E159N50-E159 PolarHBondContact N-OE2 2.91Å
51S32.4Very low33.6Very low101 Ų101135.1 Ų135.171%0.70674%0.743SS**  trans-117.3104.7169-144.90000108.9D53S51-D53 VanDerWaalsContact C-N 3.31Å; S51-D53 PolarHBondContact O-N 3.48Å
52S33.3Very low33.7Very low105 Ų105131.6 Ų131.673%0.73474%0.735SS**  trans-73.895.1154.5-67.20000106.2
53D32.4Very low34.3Very low150 Ų150130.3 Ų130.380%0.80273%0.728SS**SBendtrans-176132140.2-89.8-27.2000110.7S51 I55S51-D53 VanDerWaalsContact C-N 3.31Å; S51-D53 PolarHBondContact O-N 3.48Å; D53-I55 PolarHBondContact O-N 2.88Å
54K36.9Very low35.4Very low205 Ų205132 Ų13289%0.89172%0.721SS**  trans-61.6119.2-177.8-80.6173.7172.3173.90111.2
55I29.8Very low35.7Very low167 Ų167132.4 Ų132.486%0.85672%0.719SS**  trans-133.8133.6153.4-57.9-178.3000109.7D53D53-I55 PolarHBondContact O-N 2.88Å
56I31.1Very low36.1Very low139 Ų139134.6 Ų134.671%0.71372%0.717SS**  trans-89.8121.8-168.8-68.3173.4000111.2
57R39.4Very low36.1Very low233 Ų233133.3 Ų133.388%0.87973%0.731SS**  trans62.5149.3150.4-61172.8-177.5-173.5-0117.2
58K31.1Very low36.7Very low200 Ų200133 Ų13387%0.8773%0.726SS**  cis-169.8138.744.8-161.5178.4-176-177.20110.8
59A37.4Very low37.3Very low105 Ų105138.7 Ų138.787%0.86875%0.751SS**  trans5697.6157.600000120.5
60G32.8Very low38.8Very low71 Ų71137.4 Ų137.473%0.73276%0.756SS**SBendtrans177.5113.3161.500000110.8
61S33.5Very low41.3Very low90 Ų90138.8 Ų138.863%0.62975%0.751SS**  trans39.6112.7177.278.20000119.8I63S61-I63 PolarHBondContact O-N 3.14Å
62T32.9Very low44.1Very low126 Ų126142.6 Ų142.677%0.77375%0.754SS**G310 helixtrans-71.718-179.74.40000115.7
63I41.2Very low46.7Very low132 Ų132142.7 Ų142.768%0.67775%0.745SS**G310 helixtrans-80.3-18.5-173.8-65.4177.4000112.5S61S61-I63 PolarHBondContact O-N 3.14Å
64F49.2Very low49.7Very low157 Ų157140 Ų14069%0.68973%0.731SS**G310 helixtrans-106.413.3-174-67.9-76.8000115.3H66F64-H66 VanDerWaalsContact C-N 3.33Å; F64-H66 PolarHBondContact O-N 2.77Å
65Q36.2Very low52.4Low163 Ų163133.6 Ų133.676%0.76271%0.712SS**  trans-96.735.6-179.4-143.1166.2-2.700113.4S67Q65-S67 PolarHBondContact O-N 2.88Å
66H39.8Very low55.6Low164 Ų164130 Ų13076%0.75970%0.702SS**  trans-81.7109.9160.9-92.3-81.9000108.7F64 V68F64-H66 VanDerWaalsContact C-N 3.33Å; F64-H66 PolarHBondContact O-N 2.77Å; H66-V68 VanDerWaalsContact C-N 3.33Å; H66-V68 HydrophobicContact CB-CG2 4.38Å; H66-V68 WeakPolarHBondContact O-CG2 3.31Å; H66-V68 PolarHBondContact O-N 3.46Å
67S45.3Very low58.7Low125 Ų125127.3 Ų127.387%0.87469%0.688SS**  trans-6494.9164.358.20000108.8Q65Q65-S67 PolarHBondContact O-N 2.88Å
68V48.2Very low61.3Low63 Ų63118.9 Ų118.938%0.38266%0.663SS.*  trans-86.1123.2176.1-169.80000108.2R46 H66 G70R46-V68 VanDerWaalsContact CZ-CG1 3.42Å; H66-V68 VanDerWaalsContact C-N 3.33Å; H66-V68 HydrophobicContact CB-CG2 4.38Å; H66-V68 WeakPolarHBondContact O-CG2 3.31Å; H66-V68 PolarHBondContact O-N 3.46Å; V68-G70 PolarHBondContact O-N 2.98Å; V68-G70 VanDerWaalsContact O-N 3.09Å
69Q55.1Low64.4Low191 Ų191114.1 Ų114.189%0.89365%0.646SS**  trans-44.9119.1159-93.5170.4-30.400109.7W71Q69-W71 PolarHBondContact O-N 3.26Å
70G67.9Low67.2Low63 Ų63114.6 Ų114.665%0.64963%0.63SS**  trans-49.8122.2-164.900000113.5V68 K72V68-G70 PolarHBondContact O-N 2.98Å; V68-G70 VanDerWaalsContact O-N 3.09Å; G70-K72 PolarHBondContact O-N 2.95Å
71W82Confident70.1Confident165 Ų165115.1 Ų115.163%0.62562%0.616SS**  trans-57.1136.1169.1173.992.3000109.4L48 Q69 I73L48-W71 HydrophobicContact CD1-CB 3.42Å; L48-W71 VanDerWaalsContact CD1-CB 3.42Å; L48-W71 HydrophobicContact CD1-CD2 3.4Å; L48-W71 VanDerWaalsContact CD1-CD2 3.4Å; L48-W71 HydrophobicContact CD1-CE3 3.65Å; L48-W71 HydrophobicContact CD1-CG 3.32Å; L48-W71 HydrophobicContact CD2-CB 4.35Å; Q69-W71 PolarHBondContact O-N 3.26Å; W71-I73 HydrophobicContact CH2-CB 4.12Å; W71-I73 HydrophobicContact CZ3-CB 4.47Å
72K89.6Confident73Confident181 Ų181117.3 Ų117.379%0.78761%0.61SS**  trans-126141.7177.2-66.5-176.1-177.8-179.80109.3G70 N74G70-K72 PolarHBondContact O-N 2.95Å; K72-N74 PolarHBondContact O-N 3.49Å
73I89.4Confident75.9Confident106 Ų106118.8 Ų118.854%0.54461%0.606SS.*  trans-65126.4174.5-169.9167.5000110.3W71 S75 V78W71-I73 HydrophobicContact CH2-CB 4.12Å; W71-I73 HydrophobicContact CZ3-CB 4.47Å; I73-S75 PolarHBondContact O-N 3.39Å; I73-V78 HydrophobicContact CG1-CG2 4.24Å
74N94.8Very high78.3Confident94 Ų94116 Ų11650%0.50359%0.592SS.*  trans-92.892.5167.5-175.6-23.9000108.7K72 S76 L77 V78K72-N74 PolarHBondContact O-N 3.49Å; N74-S76 VanDerWaalsContact C-N 3.29Å; N74-S76 PolarHBondContact O-N 3.25Å; N74-S76 PolarHBondContact OD1-N 3.11Å; N74-L77 HydrophobicContact CB-CB 4.07Å; N74-L77 PolarHBondContact O-N 3.21Å; N74-L77 PolarHBondContact OD1-N 3.12Å; N74-L77 VanDerWaalsContact OD1-N 3.11Å; N74-V78 WeakPolarHBondContact O-CG2 3.42Å; N74-V78 PolarHBondContact O-N 2.81Å
75S94Very high80.2Confident71 Ų71112.8 Ų112.850%0.49758%0.581SS.*Hα-helixtrans-60.8-35.6-175.2-56.50000113.2I73 V78 L79I73-S75 PolarHBondContact O-N 3.39Å; S75-V78 PolarHBondContact O-N 2.89Å; S75-L79 WeakPolarHBondContact O-CG 3.43Å; S75-L79 PolarHBondContact O-N 3.05Å
76S96.6Very high82.8Confident90 Ų90109.6 Ų109.663%0.62957%0.569SS**Hα-helixtrans-64.8-47.2178.5-57.40000111.3N74 V78 L79 E80N74-S76 VanDerWaalsContact C-N 3.29Å; N74-S76 PolarHBondContact O-N 3.25Å; N74-S76 PolarHBondContact OD1-N 3.11Å; S76-V78 VanDerWaalsContact C-N 3.34Å; S76-V78 PolarHBondContact O-N 3.43Å; S76-L79 PolarHBondContact O-N 2.82Å; S76-E80 PolarHBondContact O-N 2.92Å
77L96.4Very high85.1Confident83 Ų83110.7 Ų110.744%0.43557%0.566SS.*Hα-helixtrans-62.9-40.5176.6-179.560.9000111.8N74 L79 E80 I81N74-L77 HydrophobicContact CB-CB 4.07Å; N74-L77 PolarHBondContact O-N 3.21Å; N74-L77 PolarHBondContact OD1-N 3.12Å; N74-L77 VanDerWaalsContact OD1-N 3.11Å; L77-L79 VanDerWaalsContact C-N 3.3Å; L77-L79 PolarHBondContact O-N 3.45Å; L77-E80 PolarHBondContact O-N 3.39Å; L77-I81 HydrophobicContact CD1-CD1 4.21Å; L77-I81 HydrophobicContact CD1-CG1 4.31Å; L77-I81 HydrophobicContact CG-CD1 3.95Å; L77-I81 HydrophobicContact CG-CG1 4.48Å; L77-I81 WeakPolarHBondContact O-CG1 3.44Å; L77-I81 PolarHBondContact O-N 2.98Å
78V94.6Very high87Confident56 Ų56110.6 Ų110.634%0.33955%0.551SS.*Hα-helixtrans-60.6-40.4175.5170.50000111.4I73 N74 S75 S76 R82I73-V78 HydrophobicContact CG1-CG2 4.24Å; N74-V78 WeakPolarHBondContact O-CG2 3.42Å; N74-V78 PolarHBondContact O-N 2.81Å; S75-V78 PolarHBondContact O-N 2.89Å; S76-V78 VanDerWaalsContact C-N 3.34Å; S76-V78 PolarHBondContact O-N 3.43Å; V78-R82 VanDerWaalsContact O-CB 3.32Å; V78-R82 WeakPolarHBondContact O-CB 3.35Å; V78-R82 PolarHBondContact O-N 3.09Å
79L94.8Very high88.8Confident100 Ų100109.5 Ų109.552%0.52454%0.542SS..Hα-helixtrans-67-39.1176.5-72.4172.2000112.1S75 S76 L77 R82 K83S75-L79 WeakPolarHBondContact O-CG 3.43Å; S75-L79 PolarHBondContact O-N 3.05Å; S76-L79 PolarHBondContact O-N 2.82Å; L77-L79 VanDerWaalsContact C-N 3.3Å; L77-L79 PolarHBondContact O-N 3.45Å; L79-R82 PolarHBondContact O-N 3.35Å; L79-K83 WeakPolarHBondContact O-CB 3.36Å; L79-K83 PolarHBondContact O-N 2.97Å
80E96.8Very high90.4Very high115 Ų115103.2 Ų103.254%0.53752%0.515SS..Hα-helixtrans-64-49.1175.7-173178.8175.700111.7S76 L77 R82 K83 N84S76-E80 PolarHBondContact O-N 2.92Å; L77-E80 PolarHBondContact O-N 3.39Å; E80-R82 VanDerWaalsContact C-N 3.3Å; E80-R82 PolarHBondContact O-N 3.29Å; E80-K83 WeakPolarHBondContact O-CB 3.46Å; E80-K83 PolarHBondContact O-N 3.44Å; E80-K83 VanDerWaalsContact O-N 3.12Å; E80-N84 PolarHBondContact O-N 3.22Å; E80-N84 PolarHBondContact O-ND2 3.14Å
81I94.9Very high91.2Very high83 Ų83102.5 Ų102.543%0.42650%0.503SS..Hα-helixtrans-57.5-46175.4-68.3167.6000110.2L77 K83 N84 I85L77-I81 HydrophobicContact CD1-CD1 4.21Å; L77-I81 HydrophobicContact CD1-CG1 4.31Å; L77-I81 HydrophobicContact CG-CD1 3.95Å; L77-I81 HydrophobicContact CG-CG1 4.48Å; L77-I81 WeakPolarHBondContact O-CG1 3.44Å; L77-I81 PolarHBondContact O-N 2.98Å; I81-K83 VanDerWaalsContact C-N 3.33Å; I81-K83 PolarHBondContact O-N 3.44Å; I81-N84 PolarHBondContact O-N 3.01Å; I81-I85 HydrophobicContact CG2-CD1 3.72Å; I81-I85 HydrophobicContact CG2-CG1 4.35Å; I81-I85 WeakPolarHBondContact O-CG1 3.41Å; I81-I85 PolarHBondContact O-N 2.84Å
82R93Very high91.5Very high136 Ų13697.7 Ų97.751%0.51349%0.487SS..Hα-helixtrans-58.4-45.7176.6-178.9179.9-66.4138.91.6111.3V78 L79 E80 N84 I85 L86V78-R82 VanDerWaalsContact O-CB 3.32Å; V78-R82 WeakPolarHBondContact O-CB 3.35Å; V78-R82 PolarHBondContact O-N 3.09Å; L79-R82 PolarHBondContact O-N 3.35Å; E80-R82 VanDerWaalsContact C-N 3.3Å; E80-R82 PolarHBondContact O-N 3.29Å; R82-N84 VanDerWaalsContact C-N 3.3Å; R82-N84 PolarHBondContact O-N 3.46Å; R82-I85 PolarHBondContact O-N 3.16Å; R82-L86 HydrophobicContact CG-CD1 3.88Å; R82-L86 HydrophobicContact CG-CG 4.39Å; R82-L86 WeakPolarHBondContact O-CB 3.48Å; R82-L86 VanDerWaalsContact O-CG 3.25Å; R82-L86 WeakPolarHBondContact O-CG 3.45Å; R82-L86 PolarHBondContact O-N 2.86Å
83K93.7Very high91.5Very high157 Ų15797.1 Ų97.168%0.68348%0.48SS*.Hα-helixtrans-60.3-41.8177.4-172.9-179.3178.9-176.40111.1L79 E80 I81 R87L79-K83 WeakPolarHBondContact O-CB 3.36Å; L79-K83 PolarHBondContact O-N 2.97Å; E80-K83 WeakPolarHBondContact O-CB 3.46Å; E80-K83 PolarHBondContact O-N 3.44Å; E80-K83 VanDerWaalsContact O-N 3.12Å; I81-K83 VanDerWaalsContact C-N 3.33Å; I81-K83 PolarHBondContact O-N 3.44Å; K83-R87 WeakPolarHBondContact O-CG 3.45Å
84N92.3Very high91.5Very high72 Ų7292.5 Ų92.539%0.38546%0.456SS..Hα-helixtrans-66-44.9178.8-72.1-24.7000112.4E80 I81 R82 L86 R87 F88E80-N84 PolarHBondContact O-N 3.22Å; E80-N84 PolarHBondContact O-ND2 3.14Å; I81-N84 PolarHBondContact O-N 3.01Å; R82-N84 VanDerWaalsContact C-N 3.3Å; R82-N84 PolarHBondContact O-N 3.46Å; N84-L86 PolarHBondContact O-N 2.52Å; N84-R87 WeakPolarHBondContact O-CB 3.49Å; N84-R87 PolarHBondContact O-N 2.86Å; N84-F88 WeakPolarHBondContact O-CD2 3.4Å
85I89.8Confident91.4Very high90 Ų9089.2 Ų89.246%0.46244%0.44SS..Hα-helixtrans-61.3-44.5177.2-68.4168.5000111I81 R82 R87 F88 L89I81-I85 HydrophobicContact CG2-CD1 3.72Å; I81-I85 HydrophobicContact CG2-CG1 4.35Å; I81-I85 WeakPolarHBondContact O-CG1 3.41Å; I81-I85 PolarHBondContact O-N 2.84Å; R82-I85 PolarHBondContact O-N 3.16Å; I85-R87 PolarHBondContact O-N 3.46Å; I85-F88 PolarHBondContact O-N 3.01Å; I85-L89 HydrophobicContact CG2-CB 4.44Å; I85-L89 HydrophobicContact CG2-CD2 4.31Å; I85-L89 PolarHBondContact O-N 3.15Å
86L89.3Confident91.3Very high97 Ų9786 Ų8651%0.50842%0.417SS..THydrogen-bonded Turntrans-66.6-8.5-177.6-69.7175.3000114R82 N84 F88 L89R82-L86 HydrophobicContact CG-CD1 3.88Å; R82-L86 HydrophobicContact CG-CG 4.39Å; R82-L86 WeakPolarHBondContact O-CB 3.48Å; R82-L86 VanDerWaalsContact O-CG 3.25Å; R82-L86 WeakPolarHBondContact O-CG 3.45Å; R82-L86 PolarHBondContact O-N 2.86Å; N84-L86 PolarHBondContact O-N 2.52Å; L86-F88 VanDerWaalsContact C-N 3.28Å; L86-L89 WeakPolarHBondContact CA-O 3.05Å
87R88.9Confident91.2Very high186 Ų18682.5 Ų82.570%0.70239%0.392SS*.THydrogen-bonded Turntrans-71.5-23.9170.2-64.9174.166.5-178.2-0.6112.8K83 N84 I85K83-R87 WeakPolarHBondContact O-CG 3.45Å; N84-R87 WeakPolarHBondContact O-CB 3.49Å; N84-R87 PolarHBondContact O-N 2.86Å; I85-R87 PolarHBondContact O-N 3.46Å
88F85.1Confident91.1Very high124 Ų12480.1 Ų80.154%0.54438%0.381SS..THydrogen-bonded Turntrans-117.7-17.7-172.9-56.9-80.8000113.5N84 I85 L86 A263N84-F88 WeakPolarHBondContact O-CD2 3.4Å; I85-F88 PolarHBondContact O-N 3.01Å; L86-F88 VanDerWaalsContact C-N 3.28Å; F88-A263 HydrophobicContact CB-CB 4.46Å
89L86.1Confident91.2Very high40 Ų4079.9 Ų79.921%0.20938%0.375CS..  trans-135.1131.1-174.6179.272.3000110.7I85 L86 A91 D94 L260 A263I85-L89 HydrophobicContact CG2-CB 4.44Å; I85-L89 HydrophobicContact CG2-CD2 4.31Å; I85-L89 PolarHBondContact O-N 3.15Å; L86-L89 WeakPolarHBondContact CA-O 3.05Å; L89-A91 HydrophobicContact CD2-CB 4.33Å; L89-D94 HydrophobicContact CD1-CB 3.7Å; L89-L260 HydrophobicContact CD1-CD1 3.52Å; L89-L260 HydrophobicContact CD1-CG 4.48Å; L89-A263 HydrophobicContact CB-CB 4.01Å; L89-A263 HydrophobicContact CD1-CB 4.18Å
90D88.6Confident91.3Very high58 Ų5880 Ų8031%0.3139%0.385SS..  trans-94.493163-174.6-28.9000108.1E92 R93 D94D90-E92 PolarHBondContact O-N 3.18Å; D90-E92 PolarHBondContact OD1-N 3.02Å; D90-E92 VanDerWaalsContact OD1-N 3.13Å; D90-R93 HydrophobicContact CB-CB 4.15Å; D90-R93 PolarHBondContact O-N 2.59Å; D90-R93 VanDerWaalsContact O-N 3.12Å; D90-R93 PolarHBondContact OD1-N 3.14Å; D90-R93 WeakPolarHBondContact OD2-CD 3.44Å; D90-R93 VanDerWaalsContact OD2-CG 3.28Å; D90-R93 WeakPolarHBondContact OD2-CG 3.5Å; D90-R93 IonicContact OD2-NE 3.6Å; D90-D94 PolarHBondContact N-OD2 3.42Å; D90-D94 VanDerWaalsContact O-CB 3.23Å; D90-D94 WeakPolarHBondContact O-CB 3.21Å; D90-D94 PolarHBondContact O-N 3.1Å
91A84.6Confident91.1Very high48 Ų4878 Ų7840%0.39738%0.383SS..THydrogen-bonded Turntrans-60.9-21.1-174.600000113.5L89 V95L89-A91 HydrophobicContact CD2-CB 4.33Å; A91-V95 WeakPolarHBondContact O-CG2 3.38Å
92E89.5Confident91.1Very high65 Ų6576 Ų7630%0.30437%0.372SS..THydrogen-bonded Turntrans-78.9-50.8173.6-177.5177143.700110.5D90 S132 K135 N136D90-E92 PolarHBondContact O-N 3.18Å; D90-E92 PolarHBondContact OD1-N 3.02Å; D90-E92 VanDerWaalsContact OD1-N 3.13Å; E92-S132 WeakPolarHBondContact O-CB 3.49Å; E92-S132 PolarHBondContact O-OG 3.23Å; E92-K135 VanDerWaalsContact CD-CA 3.48Å; E92-K135 HydrophobicContact CG-CB 4.31Å; E92-K135 WeakPolarHBondContact OE1-CA 3.5Å; E92-K135 WeakPolarHBondContact OE1-CB 3.47Å; E92-K135 VanDerWaalsContact OE1-CG 3.25Å; E92-K135 WeakPolarHBondContact OE1-CG 3.49Å; E92-N136 PolarHBondContact OE2-N 3.32Å
93R88.3Confident91.3Very high169 Ų16976.5 Ų76.564%0.63838%0.378SS*.THydrogen-bonded Turntrans-80.7-31-173.6-63.4-174-178.4-173.5-2.3113.9D90 S96D90-R93 HydrophobicContact CB-CB 4.15Å; D90-R93 PolarHBondContact O-N 2.59Å; D90-R93 VanDerWaalsContact O-N 3.12Å; D90-R93 PolarHBondContact OD1-N 3.14Å; D90-R93 WeakPolarHBondContact OD2-CD 3.44Å; D90-R93 VanDerWaalsContact OD2-CG 3.28Å; D90-R93 WeakPolarHBondContact OD2-CG 3.5Å; D90-R93 IonicContact OD2-NE 3.6Å; R93-S96 VanDerWaalsContact O-O 3.1Å
94D89.5Confident91.5Very high8 Ų871.3 Ų71.34%0.04336%0.36CS..THydrogen-bonded Turntrans-85.5-11.4-172.2-66.1-38.4000113.4L89 D90 S96 S257 L260L89-D94 HydrophobicContact CD1-CB 3.7Å; D90-D94 PolarHBondContact N-OD2 3.42Å; D90-D94 VanDerWaalsContact O-CB 3.23Å; D90-D94 WeakPolarHBondContact O-CB 3.21Å; D90-D94 PolarHBondContact O-N 3.1Å; D94-S96 VanDerWaalsContact C-N 3.31Å; D94-S96 PolarHBondContact O-N 2.81Å; D94-S257 PolarHBondContact O-N 2.89Å; D94-S257 VanDerWaalsContact O-N 3.12Å; D94-S257 PolarHBondContact OD1-OG 2.9Å; D94-L260 HydrophobicContact CB-CD1 3.81Å
95V91.9Very high91.7Very high25 Ų2570 Ų7015%0.15236%0.363CS..THydrogen-bonded Turntrans-61.2-38.7173.7155.70000112.2A91 M134 F187 W224 A254 P256A91-V95 WeakPolarHBondContact O-CG2 3.38Å; V95-M134 HydrophobicContact CB-CG 4.26Å; V95-M134 HydrophobicContact CG1-CG 3.95Å; V95-M134 HydrophobicContact CG2-CG 3.95Å; V95-F187 HydrophobicContact CG1-CE2 4.1Å; V95-W224 VanDerWaalsContact O-CD1 3.27Å; V95-W224 PolarHBondContact O-NE1 2.83Å; V95-A254 HydrophobicContact CG1-CB 4.27Å; V95-P256 WeakPolarHBondContact O-CA 3.2Å
96S93.8Very high92Very high3 Ų368.8 Ų68.82%0.02136%0.358CS..  trans-150.6140.3176.6-1670000111.5R93 D94 P129 A254 Y255R93-S96 VanDerWaalsContact O-O 3.1Å; D94-S96 VanDerWaalsContact C-N 3.31Å; D94-S96 PolarHBondContact O-N 2.81Å; S96-P129 WeakPolarHBondContact OG-CD 3.43Å; S96-P129 WeakPolarHBondContact OG-CG 3.36Å; S96-A254 WeakPolarHBondContact OG-CA 3.47Å; S96-Y255 CarbonylContact C-O 3.53Å; S96-Y255 VanDerWaalsContact CA-O 3.23Å; S96-Y255 WeakPolarHBondContact CA-O 3.24Å; S96-Y255 PolarHBondContact OG-N 2.85Å
97V93.4Very high92.2Very high18 Ų1868.1 Ų68.111%0.10936%0.358CS..  trans-61.9152.4154.7-570000110.1F102 L128 P129 F228 Y255V97-F102 HydrophobicContact CB-CD2 4.34Å; V97-F102 HydrophobicContact CB-CE2 3.73Å; V97-F102 HydrophobicContact CG1-CE2 3.91Å; V97-F102 HydrophobicContact CG2-CD2 4.24Å; V97-F102 HydrophobicContact CG2-CE2 3.94Å; V97-L128 HydrophobicContact CG2-CD1 4.35Å; V97-L128 HydrophobicContact CG2-CD2 3.66Å; V97-P129 WeakPolarHBondContact O-CD 3.46Å; V97-F228 HydrophobicContact CG2-CE2 4.27Å; V97-Y255 PolarHBondContact N-O 3.02Å
98V94.9Very high92.2Very high33 Ų3359.5 Ų59.520%0.233%0.326CS..  trans-107.8155.6179.5-640000111S100 S101 P129V98-S100 VanDerWaalsContact C-N 3.33Å; V98-S100 PolarHBondContact O-N 2.93Å; V98-S101 WeakPolarHBondContact CG2-OG 3.24Å; V98-S101 WeakPolarHBondContact O-CB 3.17Å; V98-S101 PolarHBondContact O-N 3.33Å; V98-S101 VanDerWaalsContact O-N 3.11Å; V98-P129 CarbonylContact C-O 3.54Å; V98-P129 VanDerWaalsContact CA-O 3.26Å; V98-P129 WeakPolarHBondContact CA-O 3.34Å; V98-P129 WeakPolarHBondContact CB-O 3.45Å
99K96.6Very high92.5Very high50 Ų5058.1 Ų58.122%0.21732%0.321CS..G310 helixtrans-57.5-43.6-175.2-165.2178.8-162.7160.40113.3S101 F102 L128 P129 E130K99-S101 PolarHBondContact O-N 3.01Å; K99-F102 PolarHBondContact O-N 2.85Å; K99-F102 VanDerWaalsContact O-N 3.1Å; K99-L128 HydrophobicContact CB-CB 3.85Å; K99-L128 HydrophobicContact CG-CB 4.19Å; K99-P129 PolarHBondContact N-O 2.81Å; K99-E130 WeakPolarHBondContact CD-OE1 3.34Å; K99-E130 IonicContact NZ-OE1 3.96Å; K99-E130 PolarHBondContact NZ-OE1 3Å
100S96.2Very high92.6Very high103 Ų10356.4 Ų56.472%0.7231%0.311SS*.G310 helixtrans-61.8-15.3-179.865.20000114.5V98 F102V98-S100 VanDerWaalsContact C-N 3.33Å; V98-S100 PolarHBondContact O-N 2.93Å; S100-F102 VanDerWaalsContact C-N 3.34Å
101S93.6Very high92.5Very high72 Ų7253.8 Ų53.850%0.50330%0.298SS..G310 helixtrans-81.5-11.8178.6-60.80000113.7V98 K99V98-S101 WeakPolarHBondContact CG2-OG 3.24Å; V98-S101 WeakPolarHBondContact O-CB 3.17Å; V98-S101 PolarHBondContact O-N 3.33Å; V98-S101 VanDerWaalsContact O-N 3.11Å; K99-S101 PolarHBondContact O-N 3.01Å
102F94.9Very high92.5Very high42 Ų4256.1 Ų56.118%0.18430%0.303CS..  trans-139.7161.4-172.9-66.6-73.1000112.3V97 K99 S100 D106 I108 I120 H125 L128V97-F102 HydrophobicContact CB-CD2 4.34Å; V97-F102 HydrophobicContact CB-CE2 3.73Å; V97-F102 HydrophobicContact CG1-CE2 3.91Å; V97-F102 HydrophobicContact CG2-CD2 4.24Å; V97-F102 HydrophobicContact CG2-CE2 3.94Å; K99-F102 PolarHBondContact O-N 2.85Å; K99-F102 VanDerWaalsContact O-N 3.1Å; S100-F102 VanDerWaalsContact C-N 3.34Å; F102-D106 WeakPolarHBondContact CA-OD2 3.39Å; F102-D106 HydrophobicContact CD1-CB 4.16Å; F102-I108 HydrophobicContact CD1-CD1 3.96Å; F102-I108 HydrophobicContact CD1-CG1 4.24Å; F102-I108 HydrophobicContact CE1-CD1 3.42Å; F102-I108 VanDerWaalsContact CE1-CD1 3.42Å; F102-I108 HydrophobicContact CE1-CG1 3.64Å; F102-I108 HydrophobicContact CE2-CD1 4.15Å; F102-I108 HydrophobicContact CZ-CD1 3.53Å; F102-I108 HydrophobicContact CZ-CG1 4.15Å; F102-I120 HydrophobicContact CB-CG1 4.36Å; F102-I120 HydrophobicContact CD1-CG1 4.18Å; F102-I120 HydrophobicContact CG-CG1 4.33Å; F102-H125 PolarHBondContact O-CD2 3.46Å; F102-H125 PolarHBondContact O-NE2 3.34Å; F102-H125 VanDerWaalsContact O-NE2 3.15Å; F102-L128 HydrophobicContact CB-CD1 4.27Å; F102-L128 HydrophobicContact CD2-CD1 4.14Å
103K97.1Very high92.3Very high147 Ų14756 Ų5664%0.63930%0.304SS*.  trans-127.4153.8167-63.5-179.5-177.4-178.70109.5G105 D106K103-G105 PolarHBondContact O-N 2.86Å; K103-D106 PolarHBondContact N-OD2 2.69Å; K103-D106 VanDerWaalsContact O-CB 3.31Å; K103-D106 WeakPolarHBondContact O-CB 3.34Å; K103-D106 PolarHBondContact O-N 2.95Å
104P97.8Very high92.1Very high47 Ų4755.1 Ų55.131%0.30530%0.301SS..THydrogen-bonded Turntrans-53.1131.6168.8-25.235.2000111.1I120 H125P104-I120 WeakPolarHBondContact CA-O 3.38Å; P104-H125 HydrophobicContact CG-CB 4.07Å
105G96.5Very high92.1Very high45 Ų4566 Ų6646%0.46434%0.341SS..THydrogen-bonded Turntrans95.2-15.9-175.500000115.1K103 I120K103-G105 PolarHBondContact O-N 2.86Å; G105-I120 PolarHBondContact N-O 2.85Å
106D95.8Very high92.1Very high64 Ų6470.6 Ų70.634%0.34236%0.356SS..  trans-59.4144.2176.5-75.5-8000111.6F102 K103 N119 I120F102-D106 WeakPolarHBondContact CA-OD2 3.39Å; F102-D106 HydrophobicContact CD1-CB 4.16Å; K103-D106 PolarHBondContact N-OD2 2.69Å; K103-D106 VanDerWaalsContact O-CB 3.31Å; K103-D106 WeakPolarHBondContact O-CB 3.34Å; K103-D106 PolarHBondContact O-N 2.95Å; D106-N119 CarbonylContact O-C 3.46Å; D106-N119 WeakPolarHBondContact O-CA 3.42Å; D106-I120 HydrophobicContact CB-CG1 4.32Å; D106-I120 PolarHBondContact O-N 2.82Å
107V92.8Very high91.9Very high84 Ų8473.6 Ų73.651%0.50937%0.374SS..EExtended strand (participates in β ladder)trans-96.5126.1-176.7-176.20000110.4T117V107-T117 HydrophobicContact CG1-CG2 3.65Å
108I90.4Very high91.9Very high5 Ų574.3 Ų74.33%0.02638%0.377CS..EExtended strand (participates in β ladder)trans-115.3138.6175.5-67.4-170000109.9F102 T117 L118 I120 F228 L258F102-I108 HydrophobicContact CD1-CD1 3.96Å; F102-I108 HydrophobicContact CD1-CG1 4.24Å; F102-I108 HydrophobicContact CE1-CD1 3.42Å; F102-I108 VanDerWaalsContact CE1-CD1 3.42Å; F102-I108 HydrophobicContact CE1-CG1 3.64Å; F102-I108 HydrophobicContact CE2-CD1 4.15Å; F102-I108 HydrophobicContact CZ-CD1 3.53Å; F102-I108 HydrophobicContact CZ-CG1 4.15Å; I108-T117 CarbonylContact O-C 3.33Å; I108-T117 WeakPolarHBondContact O-CA 3.23Å; I108-L118 PolarHBondContact N-O 2.91Å; I108-L118 PolarHBondContact O-N 2.92Å; I108-I120 HydrophobicContact CD1-CD1 3.3Å; I108-I120 HydrophobicContact CD1-CG1 3.77Å; I108-I120 HydrophobicContact CG1-CD1 4.06Å; I108-I120 HydrophobicContact CG1-CG1 4.09Å; I108-F228 HydrophobicContact CD1-CD1 4.42Å; I108-F228 HydrophobicContact CD1-CE1 4.04Å; I108-F228 HydrophobicContact CD1-CE2 4.38Å; I108-F228 HydrophobicContact CD1-CZ 4.02Å; I108-F228 HydrophobicContact CG2-CB 4.21Å; I108-F228 HydrophobicContact CG2-CD1 3.91Å; I108-F228 HydrophobicContact CG2-CE1 4.49Å; I108-F228 HydrophobicContact CG2-CG 4.02Å; I108-L258 HydrophobicContact CG2-CD1 4.1Å; I108-L258 HydrophobicContact CG2-CD2 3.94Å; I108-L258 HydrophobicContact CG2-CG 4.42Å
109H89.5Confident91.8Very high95 Ų9577.2 Ų77.244%0.4439%0.392SS..EExtended strand (participates in β ladder)trans-88.2143.2173.4-68-94.4000111.3R114 R116 L258H109-R114 PolarHBondContact ND1-O 2.95Å; H109-R116 WeakPolarHBondContact CA-O 3.28Å; H109-L258 WeakPolarHBondContact O-CD2 3.4Å
110Y88.9Confident91.8Very high3 Ų375 Ų751%0.01238%0.382CS..  trans-66.8142.2170.7-69.9-82.3000111.3D113 R114 R116 L118 F228 V230 K231 E234Y110-D113 CarbonylContact O-C 3.1Å; Y110-R114 WeakPolarHBondContact O-CA 3.41Å; Y110-R114 PolarHBondContact O-N 3.15Å; Y110-R116 HydrophobicContact CD2-CB 3.58Å; Y110-R116 WeakPolarHBondContact CD2-O 3.3Å; Y110-R116 HydrophobicContact CE2-CB 4.16Å; Y110-R116 PolarHBondContact N-O 2.81Å; Y110-L118 HydrophobicContact CE2-CB 4.24Å; Y110-L118 WeakPolarHBondContact OH-CB 3.2Å; Y110-F228 WeakPolarHBondContact CA-O 3.25Å; Y110-F228 WeakPolarHBondContact CD1-O 3.41Å; Y110-V230 WeakPolarHBondContact CD1-O 3.32Å; Y110-V230 VanDerWaalsContact CE1-O 3.27Å; Y110-V230 WeakPolarHBondContact CE1-O 3.44Å; Y110-K231 HydrophobicContact CD2-CB 4.17Å; Y110-K231 HydrophobicContact CE2-CB 4.08Å; Y110-K231 HydrophobicContact CE2-CG 4.05Å; Y110-K231 HydrophobicContact CG-CB 4.45Å; Y110-E234 WeakPolarHBondContact OH-CG 3.4Å; Y110-E234 PolarHBondContact OH-OE1 3.36Å
111V85.8Confident91.9Very high4 Ų471.5 Ų71.52%0.02436%0.358CS..SBendtrans-60.5-50.1-179.5151.60000111.5F228 M229 L258 I261V111-F228 PolarHBondContact N-O 3.38Å; V111-M229 HydrophobicContact CB-SD 4Å; V111-M229 HydrophobicContact CG1-CE 3.91Å; V111-M229 HydrophobicContact CG1-SD 3.62Å; V111-M229 HydrophobicContact CG2-SD 3.95Å; V111-L258 HydrophobicContact CG2-CB 4.4Å; V111-L258 HydrophobicContact CG2-CD2 3.56Å; V111-I261 HydrophobicContact CB-CD1 3.89Å; V111-I261 HydrophobicContact CB-CG1 3.87Å; V111-I261 HydrophobicContact CG1-CB 4.49Å; V111-I261 HydrophobicContact CG1-CD1 3.72Å; V111-I261 HydrophobicContact CG1-CG1 3.15Å; V111-I261 HydrophobicContact CG2-CD1 4.1Å; V111-I261 HydrophobicContact CG2-CG1 4.11Å; V111-I261 WeakPolarHBondContact O-CD1 3.3Å
112L84.9Confident92.1Very high96 Ų9674.7 Ų74.750%0.50336%0.364SS..SBendtrans-88-17.5-175.7-62.5-174.4000113.7M229 V230L112-M229 WeakPolarHBondContact CB-O 3.4Å; L112-M229 PolarHBondContact N-O 3.09Å; L112-M229 VanDerWaalsContact N-O 3.07Å; L112-V230 HydrophobicContact CB-CG1 4.28Å; L112-V230 HydrophobicContact CD1-CG1 3.66Å; L112-V230 HydrophobicContact CG-CG1 4.32Å
113D86.4Confident92.2Very high64 Ų6475.1 Ų75.134%0.34237%0.368SS..  trans-137.686.8174.2-176.6-0000110.9Y110 R115 R116Y110-D113 CarbonylContact O-C 3.1Å; D113-R115 PolarHBondContact O-N 2.82Å; D113-R115 WeakPolarHBondContact OD1-CB 3.35Å; D113-R115 PolarHBondContact OD1-N 2.93Å; D113-R115 VanDerWaalsContact OD1-N 3.15Å; D113-R116 HydrophobicContact CB-CG 4.36Å; D113-R116 PolarHBondContact O-N 3.03Å; D113-R116 WeakPolarHBondContact OD2-CG 3.49Å; D113-R116 IonicContact OD2-NE 3.29Å
114R84.3Confident92.2Very high150 Ų15068.3 Ų68.357%0.56634%0.339SS*.THydrogen-bonded Turntrans-65.2-11.2-177.2-65.7-172.6179.5-170.90.2114H109 Y110 R116H109-R114 PolarHBondContact ND1-O 2.95Å; Y110-R114 WeakPolarHBondContact O-CA 3.41Å; Y110-R114 PolarHBondContact O-N 3.15Å; R114-R116 PolarHBondContact O-N 2.74Å
115R88.8Confident92.2Very high235 Ų23567.7 Ų67.789%0.88733%0.332SS*.THydrogen-bonded Turntrans-77.3-14.6175-60.5-179.4178.5-179.3-0.2112.1D113D113-R115 PolarHBondContact O-N 2.82Å; D113-R115 WeakPolarHBondContact OD1-CB 3.35Å; D113-R115 PolarHBondContact OD1-N 2.93Å; D113-R115 VanDerWaalsContact OD1-N 3.15Å
116R91.2Very high92.3Very high123 Ų12368.5 Ų68.546%0.46433%0.331SS..  trans-104.8147.5-179.8-60.3-63.6-164.6172.41.8109.7H109 Y110 D113 R114 K231H109-R116 WeakPolarHBondContact CA-O 3.28Å; Y110-R116 HydrophobicContact CD2-CB 3.58Å; Y110-R116 WeakPolarHBondContact CD2-O 3.3Å; Y110-R116 HydrophobicContact CE2-CB 4.16Å; Y110-R116 PolarHBondContact N-O 2.81Å; D113-R116 HydrophobicContact CB-CG 4.36Å; D113-R116 PolarHBondContact O-N 3.03Å; D113-R116 WeakPolarHBondContact OD2-CG 3.49Å; D113-R116 IonicContact OD2-NE 3.29Å; R114-R116 PolarHBondContact O-N 2.74Å; R116-K231 HydrophobicContact CB-CD 3.99Å; R116-K231 HydrophobicContact CG-CD 3.8Å
117T91.2Very high92.4Very high65 Ų6566.4 Ų66.440%0.39932%0.319SS..EExtended strand (participates in β ladder)trans-131.7160.5-176.755.90000112.3V107 I108V107-T117 HydrophobicContact CG1-CG2 3.65Å; I108-T117 CarbonylContact O-C 3.33Å; I108-T117 WeakPolarHBondContact O-CA 3.23Å
118L91.6Very high92.6Very high33 Ų3362.7 Ų62.717%0.17330%0.297CS..EExtended strand (participates in β ladder)trans-133.9141.4172.6175.562.4000108.6I108 Y110 F228 E234I108-L118 PolarHBondContact N-O 2.91Å; I108-L118 PolarHBondContact O-N 2.92Å; Y110-L118 HydrophobicContact CE2-CB 4.24Å; Y110-L118 WeakPolarHBondContact OH-CB 3.2Å; L118-F228 HydrophobicContact CD2-CD1 3.9Å; L118-F228 HydrophobicContact CD2-CE1 3.88Å; L118-E234 HydrophobicContact CD1-CB 4.09Å; L118-E234 HydrophobicContact CD1-CG 3.76Å
119N94.4Very high92.9Very high95 Ų9563.5 Ų63.551%0.50830%0.302SS..EExtended strand (participates in β ladder)trans-90.3138.3170.5-63.94.1000109.8D106 S121D106-N119 CarbonylContact O-C 3.46Å; D106-N119 WeakPolarHBondContact O-CA 3.42Å; N119-S121 PolarHBondContact O-N 3.03Å
120I95.8Very high93.2Very high3 Ų364.8 Ų64.82%0.01531%0.309CS..  trans-65.5114.7172.5-67.6-59000109.4F102 P104 G105 D106 I108 L124 H125 F228F102-I120 HydrophobicContact CB-CG1 4.36Å; F102-I120 HydrophobicContact CD1-CG1 4.18Å; F102-I120 HydrophobicContact CG-CG1 4.33Å; P104-I120 WeakPolarHBondContact CA-O 3.38Å; G105-I120 PolarHBondContact N-O 2.85Å; D106-I120 HydrophobicContact CB-CG1 4.32Å; D106-I120 PolarHBondContact O-N 2.82Å; I108-I120 HydrophobicContact CD1-CD1 3.3Å; I108-I120 HydrophobicContact CD1-CG1 3.77Å; I108-I120 HydrophobicContact CG1-CD1 4.06Å; I108-I120 HydrophobicContact CG1-CG1 4.09Å; I120-L124 HydrophobicContact CD1-CD2 3.56Å; I120-L124 HydrophobicContact CD1-CG 4.3Å; I120-H125 HydrophobicContact CG2-CB 3.76Å; I120-F228 HydrophobicContact CD1-CE1 4.06Å; I120-F228 HydrophobicContact CD1-CZ 4.01Å
121S97.3Very high93.5Very high29 Ų2968.6 Ų68.620%0.20333%0.332CS..  trans-76.6161174.774.60000111.5N119 N123 L124 H125 E238N119-S121 PolarHBondContact O-N 3.03Å; S121-N123 VanDerWaalsContact C-N 3.28Å; S121-N123 PolarHBondContact O-N 2.84Å; S121-L124 PolarHBondContact O-N 3.48Å; S121-L124 VanDerWaalsContact OG-CB 3.29Å; S121-L124 WeakPolarHBondContact OG-CB 3.45Å; S121-L124 PolarHBondContact OG-N 3.37Å; S121-H125 WeakPolarHBondContact O-CB 3.33Å; S121-H125 PolarHBondContact O-N 3.23Å; S121-E238 VanDerWaalsContact CB-OE2 3.25Å; S121-E238 WeakPolarHBondContact CB-OE2 3.3Å; S121-E238 PolarHBondContact OG-OE2 2.91Å
122H98.1Very high93.9Very high139 Ų13969 Ų6964%0.64434%0.335SS*.Hα-helixtrans-59.4-40172.7-76.8-88.1000112.1S126H122-S126 WeakPolarHBondContact O-CB 3.34Å; H122-S126 PolarHBondContact O-N 3.16Å; H122-S126 PolarHBondContact O-OG 3.48Å
123N98.1Very high94.3Very high51 Ų5165 Ų6527%0.27332%0.315SS..Hα-helixtrans-65.7-47.1179-72.9-19000111.4S121 S126 L127 E238 N241 L245S121-N123 VanDerWaalsContact C-N 3.28Å; S121-N123 PolarHBondContact O-N 2.84Å; N123-S126 PolarHBondContact O-N 3.36Å; N123-L127 PolarHBondContact O-N 3.29Å; N123-E238 WeakPolarHBondContact CB-OE1 3.49Å; N123-E238 PolarHBondContact ND2-OE1 3.47Å; N123-N241 HydrophobicContact CB-CB 4.1Å; N123-L245 HydrophobicContact CB-CD1 3.76Å; N123-L245 WeakPolarHBondContact OD1-CD1 3.49Å
124L97.1Very high94.6Very high4 Ų463.7 Ų63.72%0.02131%0.307CS..Hα-helixtrans-60-49.4176.1176.859.8000111.5I120 S121 S126 L127 L128 F228 N241 Y255I120-L124 HydrophobicContact CD1-CD2 3.56Å; I120-L124 HydrophobicContact CD1-CG 4.3Å; S121-L124 PolarHBondContact O-N 3.48Å; S121-L124 VanDerWaalsContact OG-CB 3.29Å; S121-L124 WeakPolarHBondContact OG-CB 3.45Å; S121-L124 PolarHBondContact OG-N 3.37Å; L124-S126 VanDerWaalsContact C-N 3.3Å; L124-S126 PolarHBondContact O-N 3.36Å; L124-L127 CarbonylContact O-C 3.45Å; L124-L127 PolarHBondContact O-N 3.18Å; L124-L127 VanDerWaalsContact O-N 3.15Å; L124-L128 HydrophobicContact CD1-CD2 4.5Å; L124-L128 PolarHBondContact O-N 2.94Å; L124-L128 VanDerWaalsContact O-N 3.14Å; L124-F228 HydrophobicContact CD1-CZ 4.46Å; L124-F228 HydrophobicContact CD2-CE1 3.78Å; L124-F228 HydrophobicContact CD2-CZ 3.84Å; L124-N241 WeakPolarHBondContact CA-ND2 3.47Å; L124-Y255 HydrophobicContact CD1-CD1 3.61Å; L124-Y255 HydrophobicContact CD1-CD2 4.14Å; L124-Y255 HydrophobicContact CD1-CE1 3.3Å; L124-Y255 HydrophobicContact CD1-CE2 3.86Å; L124-Y255 HydrophobicContact CD1-CG 4.01Å; L124-Y255 VanDerWaalsContact CD1-CZ 3.44Å
125H97.7Very high95.1Very high34 Ų3461.4 Ų61.416%0.15730%0.301CS..Hα-helixtrans-59.2-39.8177.7178.2-93000112.6F102 P104 I120 S121 L127 L128F102-H125 PolarHBondContact O-CD2 3.46Å; F102-H125 PolarHBondContact O-NE2 3.34Å; F102-H125 VanDerWaalsContact O-NE2 3.15Å; P104-H125 HydrophobicContact CG-CB 4.07Å; I120-H125 HydrophobicContact CG2-CB 3.76Å; S121-H125 WeakPolarHBondContact O-CB 3.33Å; S121-H125 PolarHBondContact O-N 3.23Å; H125-L127 PolarHBondContact O-N 2.76Å; H125-L128 PolarHBondContact O-N 2.66Å
126S97.9Very high95.2Very high63 Ų6356.7 Ų56.744%0.44129%0.294SS..Hα-helixtrans-64.7-27.9179.6-60.10000112.8H122 N123 L124H122-S126 WeakPolarHBondContact O-CB 3.34Å; H122-S126 PolarHBondContact O-N 3.16Å; H122-S126 PolarHBondContact O-OG 3.48Å; N123-S126 PolarHBondContact O-N 3.36Å; L124-S126 VanDerWaalsContact C-N 3.3Å; L124-S126 PolarHBondContact O-N 3.36Å
127L97.8Very high95.3Very high19 Ų1957.9 Ų57.910%0.09930%0.298CS..THydrogen-bonded Turntrans-94.7-1.4177.9-68.5176.8000113.5N123 L124 H125 N241 I244 L245 T253 Y255N123-L127 PolarHBondContact O-N 3.29Å; L124-L127 CarbonylContact O-C 3.45Å; L124-L127 PolarHBondContact O-N 3.18Å; L124-L127 VanDerWaalsContact O-N 3.15Å; H125-L127 PolarHBondContact O-N 2.76Å; L127-N241 HydrophobicContact CD1-CB 3.57Å; L127-I244 HydrophobicContact CD1-CB 4.26Å; L127-I244 HydrophobicContact CD1-CD1 4.41Å; L127-I244 HydrophobicContact CD1-CG2 4.21Å; L127-I244 HydrophobicContact CD2-CG2 3.79Å; L127-L245 HydrophobicContact CD1-CD1 4.43Å; L127-L245 HydrophobicContact CD1-CG 4.19Å; L127-L245 HydrophobicContact CD2-CD2 3.69Å; L127-L245 HydrophobicContact CD2-CG 4.09Å; L127-L245 HydrophobicContact CG-CD1 4.35Å; L127-L245 HydrophobicContact CG-CD2 4.02Å; L127-L245 HydrophobicContact CG-CG 4.09Å; L127-T253 HydrophobicContact CB-CG2 4.49Å; L127-T253 WeakPolarHBondContact CB-OG1 3.25Å; L127-T253 PolarHBondContact O-OG1 2.99Å; L127-Y255 HydrophobicContact CB-CE2 4.27Å
128L97.4Very high95.3Very high6 Ų666.2 Ų66.23%0.03132%0.322CS..SBendtrans-67.2136.5171.4-67.5-176.7000109.7V97 K99 F102 L124 H125 Y255V97-L128 HydrophobicContact CG2-CD1 4.35Å; V97-L128 HydrophobicContact CG2-CD2 3.66Å; K99-L128 HydrophobicContact CB-CB 3.85Å; K99-L128 HydrophobicContact CG-CB 4.19Å; F102-L128 HydrophobicContact CB-CD1 4.27Å; F102-L128 HydrophobicContact CD2-CD1 4.14Å; L124-L128 HydrophobicContact CD1-CD2 4.5Å; L124-L128 PolarHBondContact O-N 2.94Å; L124-L128 VanDerWaalsContact O-N 3.14Å; H125-L128 PolarHBondContact O-N 2.66Å; L128-Y255 HydrophobicContact CD2-CD2 3.5Å; L128-Y255 HydrophobicContact CD2-CE2 4.07Å; L128-Y255 HydrophobicContact CD2-CG 4.15Å
129P96.8Very high95.5Very high22 Ų2268 Ų6814%0.14333%0.329CS..  trans-73.8145.6178.533.4-37.1000110.6S96 V97 V98 K99 V131 P133S96-P129 WeakPolarHBondContact OG-CD 3.43Å; S96-P129 WeakPolarHBondContact OG-CG 3.36Å; V97-P129 WeakPolarHBondContact O-CD 3.46Å; V98-P129 CarbonylContact C-O 3.54Å; V98-P129 VanDerWaalsContact CA-O 3.26Å; V98-P129 WeakPolarHBondContact CA-O 3.34Å; V98-P129 WeakPolarHBondContact CB-O 3.45Å; K99-P129 PolarHBondContact N-O 2.81Å; P129-V131 VanDerWaalsContact C-N 3.29Å; P129-V131 WeakPolarHBondContact CB-O 3.31Å; P129-V131 PolarHBondContact O-N 3.48Å; P129-P133 HydrophobicContact CB-CG 4.33Å; P129-P133 HydrophobicContact CG-CG 4.31Å
130E96.4Very high95.4Very high123 Ų12372.9 Ų72.958%0.57535%0.345SS*.SBendtrans-67.6-33.1176.3-59-61.616800111.7K99K99-E130 WeakPolarHBondContact CD-OE1 3.34Å; K99-E130 IonicContact NZ-OE1 3.96Å; K99-E130 PolarHBondContact NZ-OE1 3Å
131V95.1Very high95.4Very high83 Ų8375.7 Ų75.750%0.50336%0.363SS..SBendtrans-137.3156.6175.3-63.60000109.8P129 K135P129-V131 VanDerWaalsContact C-N 3.29Å; P129-V131 WeakPolarHBondContact CB-O 3.31Å; P129-V131 PolarHBondContact O-N 3.48Å; V131-K135 HydrophobicContact CB-CD 4.33Å
132S94.1Very high95.4Very high13 Ų1377.4 Ų77.49%0.09137%0.374CS..  trans-52.6131.7177.5172.90000111.7E92 M134 K135E92-S132 WeakPolarHBondContact O-CB 3.49Å; E92-S132 PolarHBondContact O-OG 3.23Å; S132-M134 PolarHBondContact O-N 3.07Å; S132-M134 VanDerWaalsContact O-N 3.07Å; S132-M134 PolarHBondContact OG-N 2.85Å; S132-K135 VanDerWaalsContact O-CB 3.24Å; S132-K135 WeakPolarHBondContact O-CB 3.23Å; S132-K135 PolarHBondContact O-N 2.99Å
133P93.8Very high95.4Very high12 Ų1271.2 Ų71.28%0.07835%0.347CS..THydrogen-bonded Turntrans-59.7-18.5174.6-26.136.1000114.3P129 V222 A254P129-P133 HydrophobicContact CB-CG 4.33Å; P129-P133 HydrophobicContact CG-CG 4.31Å; P133-V222 HydrophobicContact CB-CG1 4.3Å; P133-V222 HydrophobicContact CB-CG2 3.79Å; P133-A254 HydrophobicContact CG-CB 4.2Å
134M92.4Very high95.4Very high36 Ų3674 Ų7418%0.17737%0.365CS..THydrogen-bonded Turntrans-101.23.3179.3-61.9-56.9-62.300113.5V95 S132 N136 R137 F139 F165 F187V95-M134 HydrophobicContact CB-CG 4.26Å; V95-M134 HydrophobicContact CG1-CG 3.95Å; V95-M134 HydrophobicContact CG2-CG 3.95Å; S132-M134 PolarHBondContact O-N 3.07Å; S132-M134 VanDerWaalsContact O-N 3.07Å; S132-M134 PolarHBondContact OG-N 2.85Å; M134-N136 PolarHBondContact O-N 3.28Å; M134-R137 HydrophobicContact CE-CB 4.2Å; M134-R137 WeakPolarHBondContact O-CB 3.35Å; M134-R137 PolarHBondContact O-N 2.88Å; M134-F139 HydrophobicContact CE-CE2 3.86Å; M134-F165 HydrophobicContact CE-CZ 4.25Å; M134-F165 HydrophobicContact SD-CZ 4.09Å; M134-F187 HydrophobicContact SD-CD2 4.45Å
135K93.9Very high95.5Very high101 Ų10174.2 Ų74.244%0.43937%0.367SS..THydrogen-bonded Turntrans-55.5123.6179.4178.3161.4-172.3-174.90111.9E92 V131 S132 R137E92-K135 VanDerWaalsContact CD-CA 3.48Å; E92-K135 HydrophobicContact CG-CB 4.31Å; E92-K135 WeakPolarHBondContact OE1-CA 3.5Å; E92-K135 WeakPolarHBondContact OE1-CB 3.47Å; E92-K135 VanDerWaalsContact OE1-CG 3.25Å; E92-K135 WeakPolarHBondContact OE1-CG 3.49Å; V131-K135 HydrophobicContact CB-CD 4.33Å; S132-K135 VanDerWaalsContact O-CB 3.24Å; S132-K135 WeakPolarHBondContact O-CB 3.23Å; S132-K135 PolarHBondContact O-N 2.99Å; K135-R137 PolarHBondContact O-N 3.35Å; K135-R137 VanDerWaalsContact O-N 3.11Å
136N92.1Very high95.4Very high137 Ų13774.4 Ų74.473%0.73338%0.378SS*.THydrogen-bonded Turntrans54.324.4-178.6-60.1-40000114.4E92 M134E92-N136 PolarHBondContact OE2-N 3.32Å; M134-N136 PolarHBondContact O-N 3.28Å
137R91.9Very high95.3Very high148 Ų14875.8 Ų75.856%0.55838%0.381SS*.  trans-94129.8177.9-61.9-59.4-174.1166.10.1110.5M134 K135 F139M134-R137 HydrophobicContact CE-CB 4.2Å; M134-R137 WeakPolarHBondContact O-CB 3.35Å; M134-R137 PolarHBondContact O-N 2.88Å; K135-R137 PolarHBondContact O-N 3.35Å; K135-R137 VanDerWaalsContact O-N 3.11Å; R137-F139 HydrophobicContact CB-CE2 3.99Å; R137-F139 HydrophobicContact CB-CZ 3.99Å
138R92Very high95.3Very high240 Ų24078.4 Ų78.491%0.90640%0.4SS*.  trans-140.1136.5172.7-67.9-173.3173.7-157.3-0.8109
139F94.6Very high95.1Very high71 Ų7180.6 Ų80.631%0.31143%0.425SS..  trans-125.1142.5-177.9-53.1-75000109.1M134 R137 N164 F165M134-F139 HydrophobicContact CE-CE2 3.86Å; R137-F139 HydrophobicContact CB-CE2 3.99Å; R137-F139 HydrophobicContact CB-CZ 3.99Å; F139-N164 HydrophobicContact CB-CB 4.37Å; F139-F165 HydrophobicContact CB-CB 3.98Å; F139-F165 HydrophobicContact CD1-CB 3.87Å; F139-F165 HydrophobicContact CD1-CD2 4.09Å; F139-F165 HydrophobicContact CD1-CG 4.27Å; F139-F165 HydrophobicContact CD2-CB 3.75Å; F139-F165 HydrophobicContact CD2-CD1 4.15Å; F139-F165 AromaticContact CD2-CD2 3.87Å; F139-F165 HydrophobicContact CD2-CD2 3.87Å; F139-F165 HydrophobicContact CD2-CE2 4.45Å; F139-F165 AromaticContact CD2-CG 3.67Å; F139-F165 HydrophobicContact CD2-CG 3.67Å; F139-F165 HydrophobicContact CE1-CB 4.28Å; F139-F165 AromaticContact CE1-CD2 3.63Å; F139-F165 HydrophobicContact CE1-CD2 3.63Å; F139-F165 HydrophobicContact CE1-CE2 4.28Å; F139-F165 HydrophobicContact CE1-CG 4.25Å; F139-F165 HydrophobicContact CE2-CB 4.19Å; F139-F165 HydrophobicContact CE2-CD1 4.13Å; F139-F165 AromaticContact CE2-CD2 3.38Å; F139-F165 HydrophobicContact CE2-CD2 3.38Å; F139-F165 HydrophobicContact CE2-CE1 4.31Å; F139-F165 AromaticContact CE2-CE2 3.6Å; F139-F165 HydrophobicContact CE2-CE2 3.6Å; F139-F165 AromaticContact CE2-CG 3.65Å; F139-F165 HydrophobicContact CE2-CG 3.65Å; F139-F165 HydrophobicContact CE2-CZ 4.05Å; F139-F165 HydrophobicContact CG-CB 3.58Å; F139-F165 HydrophobicContact CG-CD2 4.2Å; F139-F165 AromaticContact CG-CG 4Å; F139-F165 HydrophobicContact CG-CG 4Å; F139-F165 HydrophobicContact CZ-CB 4.43Å; F139-F165 AromaticContact CZ-CD2 3.24Å; F139-F165 HydrophobicContact CZ-CD2 3.24Å; F139-F165 AromaticContact CZ-CE2 3.49Å; F139-F165 HydrophobicContact CZ-CE2 3.49Å; F139-F165 VanDerWaalsContact CZ-CE2 3.49Å; F139-F165 AromaticContact CZ-CG 3.95Å; F139-F165 HydrophobicContact CZ-CG 3.95Å; F139-F165 HydrophobicContact CZ-CZ 4.36Å
140K93.9Very high95.1Very high197 Ų19784.3 Ų84.386%0.85744%0.443SS*.SBendtrans-76.6-43.2-179.5-63-179.4177.6179.10110.9N164K140-N164 WeakPolarHBondContact CB-OD1 3.36Å
141T96.1Very high95.1Very high61 Ų6180.1 Ų80.137%0.37442%0.424SS..  trans-126.5135.6178.260.70000110N164 F165T141-N164 PolarHBondContact N-OD1 3.19Å; T141-N164 WeakPolarHBondContact O-CB 3.26Å; T141-N164 PolarHBondContact O-N 3.47Å; T141-N164 VanDerWaalsContact O-N 3.13Å; T141-N164 PolarHBondContact OG1-N 3.06Å; T141-N164 VanDerWaalsContact OG1-N 3.14Å; T141-N164 PolarHBondContact OG1-OD1 3.43Å; T141-F165 PolarHBondContact O-N 3.15Å
142C97.2Very high95.1Very high65 Ų6580.9 Ų80.944%0.43942%0.424SS..EExtended strand (participates in β ladder)trans-128.4137.8176-57.90000109.7H163 F165C142-H163 PolarHBondContact O-CD2 3.01Å; C142-F165 CarbonylContact C-O 3.49Å; C142-F165 WeakPolarHBondContact CA-O 3.06Å
143A98.2Very high95.2Very high10 Ų1087.7 Ų87.78%0.08346%0.46CS..EExtended strand (participates in β ladder)trans-104.8131.216600000109.2V145 I160 H163 F165 V166 I167A143-V145 HydrophobicContact CB-CG2 4.31Å; A143-I160 HydrophobicContact CB-CG2 4.23Å; A143-H163 HydrophobicContact CB-CB 4Å; A143-F165 PolarHBondContact N-O 3.31Å; A143-V166 HydrophobicContact CB-CG1 4.43Å; A143-V166 HydrophobicContact CB-CG2 4.3Å; A143-V166 WeakPolarHBondContact O-CA 3.37Å; A143-I167 PolarHBondContact O-N 3.22Å
144V98.1Very high95.3Very high108 Ų10889.2 Ų89.266%0.65547%0.471SS*.EExtended strand (participates in β ladder)trans-111.3110.1170.4-176.20000107.1I167V144-I167 HydrophobicContact CG2-CB 4.35Å; V144-I167 HydrophobicContact CG2-CD1 4.22Å
145V97.9Very high95.5Very high10 Ų1090 Ų906%0.06149%0.488CS..EExtended strand (participates in β ladder)trans-106.9109.2-171.3-170.30000108.9A143 L151 I160 V166 I167 R168A143-V145 HydrophobicContact CB-CG2 4.31Å; V145-L151 HydrophobicContact CG1-CD1 3.8Å; V145-I160 HydrophobicContact CG1-CD1 4.36Å; V145-I160 HydrophobicContact CG2-CD1 4.18Å; V145-I160 HydrophobicContact CG2-CG1 4.32Å; V145-I160 HydrophobicContact CG2-CG2 3.69Å; V145-V166 HydrophobicContact CG2-CG1 4.02Å; V145-I167 PolarHBondContact N-O 3.07Å; V145-R168 HydrophobicContact CB-CG 4.41Å
146G96.6Very high95.6Very high38 Ų3886 Ų8639%0.39247%0.472SS..  trans-76.8178.5169.800000112.2L151G146-L151 WeakPolarHBondContact O-CD1 3.36Å
147N95.9Very high95.9Very high91 Ų9179.5 Ų79.549%0.48744%0.438SS..  trans-106.326.6-176.9-57.8-15.5000112.2C169 A172N147-C169 PolarHBondContact ND2-O 2.8Å; N147-C169 PolarHBondContact OD1-O 3.27Å; N147-A172 WeakPolarHBondContact OD1-CB 3.25Å
148S96.1Very high96.2Very high74 Ų7481.4 Ų81.452%0.51745%0.45SS..  trans-73.1140.4-179177.70000110.8I150 L151S148-I150 PolarHBondContact O-N 3.36Å; S148-I150 WeakPolarHBondContact OG-CG2 3.37Å; S148-I150 PolarHBondContact OG-N 3.15Å; S148-L151 PolarHBondContact O-N 3.25Å
149G95Very high96.4Very high53 Ų5372.9 Ų72.955%0.54642%0.421SS..G310 helixtrans-62.1-12.2175.800000114.2L151 L152G149-L151 PolarHBondContact O-N 3.3Å; G149-L151 VanDerWaalsContact O-N 3.1Å; G149-L152 WeakPolarHBondContact O-CB 3.4Å; G149-L152 WeakPolarHBondContact O-CG 3.2Å; G149-L152 PolarHBondContact O-N 2.94Å
150I95.4Very high96.6Very high100 Ų10070.2 Ų70.251%0.51341%0.41SS..G310 helixtrans-59.4-18.9173.1-160.8171.2000113.3S148 L152S148-I150 PolarHBondContact O-N 3.36Å; S148-I150 WeakPolarHBondContact OG-CG2 3.37Å; S148-I150 PolarHBondContact OG-N 3.15Å; I150-L152 VanDerWaalsContact C-N 3.35Å
151L95.9Very high96.8Very high34 Ų3462.8 Ų62.818%0.17838%0.379CS..G310 helixtrans-78.1-19.5177.6-67.1173.4000112.9V145 G146 S148 G149 D153 S154 D180 V181V145-L151 HydrophobicContact CG1-CD1 3.8Å; G146-L151 WeakPolarHBondContact O-CD1 3.36Å; S148-L151 PolarHBondContact O-N 3.25Å; G149-L151 PolarHBondContact O-N 3.3Å; G149-L151 VanDerWaalsContact O-N 3.1Å; L151-D153 PolarHBondContact O-N 2.7Å; L151-S154 WeakPolarHBondContact O-CB 3.42Å; L151-S154 PolarHBondContact O-N 3.32Å; L151-S154 PolarHBondContact O-OG 3.01Å; L151-D180 WeakPolarHBondContact O-CB 3.07Å; L151-D180 VanDerWaalsContact O-CG 3.3Å; L151-V181 HydrophobicContact CB-CG1 4.02Å; L151-V181 HydrophobicContact CD1-CG1 3.99Å
152L95.2Very high96.9Very high99 Ų9963.7 Ų63.752%0.51839%0.388SS..THydrogen-bonded Turntrans-62.2133.8-179.7-63.6173.6000110.7G149 I150 S154 F177G149-L152 WeakPolarHBondContact O-CB 3.4Å; G149-L152 WeakPolarHBondContact O-CG 3.2Å; G149-L152 PolarHBondContact O-N 2.94Å; I150-L152 VanDerWaalsContact C-N 3.35Å; L152-S154 PolarHBondContact O-N 3.37Å; L152-S154 VanDerWaalsContact O-N 3.15Å; L152-F177 HydrophobicContact CD2-CD1 3.74Å; L152-F177 HydrophobicContact CD2-CE1 3.71Å
153D95.9Very high97Very high157 Ų15762.5 Ų62.584%0.8438%0.376SS*.THydrogen-bonded Turntrans58.219.1-177.5-56.3-47.4000114.5L151 D180L151-D153 PolarHBondContact O-N 2.7Å; D153-D180 WeakPolarHBondContact CA-OD1 3.44Å; D153-D180 PolarHBondContact N-OD1 3.41Å; D153-D180 PolarHBondContact N-OD2 3.44Å
154S96.3Very high96.9Very high44 Ų4466 Ų6631%0.30839%0.393SS..  trans-78.7-25179.767.40000113.6L151 L152 C156 D180L151-S154 WeakPolarHBondContact O-CB 3.42Å; L151-S154 PolarHBondContact O-N 3.32Å; L151-S154 PolarHBondContact O-OG 3.01Å; L152-S154 PolarHBondContact O-N 3.37Å; L152-S154 VanDerWaalsContact O-N 3.15Å; S154-C156 PolarHBondContact O-N 3.31Å; S154-C156 WeakPolarHBondContact OG-CB 3.18Å; S154-C156 PolarHBondContact OG-N 3.47Å; S154-C156 PolarHBondContact OG-SG 3.34Å; S154-D180 PolarHBondContact N-OD1 3.42Å
155G96.6Very high96.9Very high51 Ų5161.4 Ų61.453%0.52637%0.365SS..  trans66.112.7-173.600000114.6G157 A179 D180G155-G157 PolarHBondContact O-N 2.99Å; G155-G157 VanDerWaalsContact O-N 3.15Å; G155-A179 CarbonylContact C-O 3.58Å; G155-A179 VanDerWaalsContact C-O 3.26Å; G155-A179 WeakPolarHBondContact CA-O 3.25Å; G155-D180 PolarHBondContact N-OD1 3.32Å
156C97.4Very high97Very high17 Ų1761 Ų6112%0.11536%0.362CS..THydrogen-bonded Turntrans-69.9-6.3-175.6-72.80000114.3S154 K158 E159 I160 D180S154-C156 PolarHBondContact O-N 3.31Å; S154-C156 WeakPolarHBondContact OG-CB 3.18Å; S154-C156 PolarHBondContact OG-N 3.47Å; S154-C156 PolarHBondContact OG-SG 3.34Å; C156-K158 VanDerWaalsContact C-N 3.34Å; C156-K158 PolarHBondContact O-N 2.7Å; C156-E159 WeakPolarHBondContact O-CB 3.48Å; C156-E159 PolarHBondContact O-N 3.36Å; C156-I160 HydrophobicContact CB-CD1 4.06Å; C156-I160 HydrophobicContact CB-CG1 4.48Å; C156-I160 WeakPolarHBondContact O-CG1 3.17Å; C156-I160 PolarHBondContact O-N 3.08Å; C156-D180 CarbonylContact C-O 3.54Å; C156-D180 VanDerWaalsContact C-O 3.31Å; C156-D180 VanDerWaalsContact CB-O 3.3Å; C156-D180 WeakPolarHBondContact CB-O 3.34Å; C156-D180 PolarHBondContact N-O 2.91Å
157G97.6Very high97Very high2 Ų261.4 Ų61.42%0.02136%0.355CS..Hα-helixtrans-60.4-40.2-167.600000114G155 I160 D161 A179 D180G155-G157 PolarHBondContact O-N 2.99Å; G155-G157 VanDerWaalsContact O-N 3.15Å; G157-I160 PolarHBondContact O-N 2.98Å; G157-D161 WeakPolarHBondContact O-CB 3.14Å; G157-D161 PolarHBondContact O-N 2.9Å; G157-A179 WeakPolarHBondContact CA-O 3.48Å; G157-A179 PolarHBondContact N-O 2.72Å; G157-D180 PolarHBondContact N-O 2.93Å
158K97.9Very high97.1Very high187 Ų18757.3 Ų57.381%0.81333%0.333SS*.Hα-helixtrans-66.8-38.7176.4-68.5-176.9-1791770112.5C156 S162C156-K158 VanDerWaalsContact C-N 3.34Å; C156-K158 PolarHBondContact O-N 2.7Å; K158-S162 PolarHBondContact O-N 2.85Å
159E97.3Very high97.2Very high61 Ų6155.6 Ų55.629%0.28532%0.32SS..Hα-helixtrans-66.4-45.8177.9-176177.6159.800110.4N50 C156 D161 S162 H163N50-E159 PolarHBondContact N-OE2 2.91Å; C156-E159 WeakPolarHBondContact O-CB 3.48Å; C156-E159 PolarHBondContact O-N 3.36Å; E159-D161 PolarHBondContact O-N 3.07Å; E159-S162 WeakPolarHBondContact O-CB 3.46Å; E159-S162 PolarHBondContact O-N 3.04Å; E159-S162 VanDerWaalsContact O-N 3.16Å; E159-S162 PolarHBondContact O-OG 3.3Å; E159-H163 PolarHBondContact O-CE1 2.88Å; E159-H163 PolarHBondContact O-ND1 3.12Å
160I98.4Very high97.2Very high16 Ų1656.3 Ų56.38%0.08231%0.311CS..Hα-helixtrans-57-51.7175.1-68.7165.4000110.3A143 V145 C156 G157 S162 H163 V166A143-I160 HydrophobicContact CB-CG2 4.23Å; V145-I160 HydrophobicContact CG1-CD1 4.36Å; V145-I160 HydrophobicContact CG2-CD1 4.18Å; V145-I160 HydrophobicContact CG2-CG1 4.32Å; V145-I160 HydrophobicContact CG2-CG2 3.69Å; C156-I160 HydrophobicContact CB-CD1 4.06Å; C156-I160 HydrophobicContact CB-CG1 4.48Å; C156-I160 WeakPolarHBondContact O-CG1 3.17Å; C156-I160 PolarHBondContact O-N 3.08Å; G157-I160 PolarHBondContact O-N 2.98Å; I160-S162 PolarHBondContact O-N 2.9Å; I160-S162 VanDerWaalsContact O-N 3.16Å; I160-H163 WeakPolarHBondContact O-CB 3.37Å; I160-H163 PolarHBondContact O-N 2.96Å; I160-H163 VanDerWaalsContact O-N 3.11Å; I160-H163 PolarHBondContact O-ND1 3.28Å; I160-V166 HydrophobicContact CG2-CG1 3.97Å; I160-V166 HydrophobicContact CG2-CG2 4.36Å
161D97.9Very high97.3Very high40 Ų4051.9 Ų51.921%0.21429%0.289CS..Hα-helixtrans-67.1-16.2-178.1-76.8-2.7000113.1G157 E159 H163 R168 G182 T183 K184G157-D161 WeakPolarHBondContact O-CB 3.14Å; G157-D161 PolarHBondContact O-N 2.9Å; E159-D161 PolarHBondContact O-N 3.07Å; D161-H163 VanDerWaalsContact C-N 3.25Å; D161-H163 PolarHBondContact O-N 3.31Å; D161-R168 IonicContact OD1-NH2 4Å; D161-G182 WeakPolarHBondContact OD1-CA 3.39Å; D161-T183 VanDerWaalsContact CG-N 3.32Å; D161-T183 PolarHBondContact OD1-N 2.95Å; D161-T183 PolarHBondContact OD2-N 3.31Å; D161-T183 PolarHBondContact OD2-OG1 2.76Å; D161-K184 HydrophobicContact CB-CB 4.37Å; D161-K184 WeakPolarHBondContact O-CE 3.45Å; D161-K184 PolarHBondContact O-NZ 2.6Å; D161-K184 VanDerWaalsContact OD1-CB 3.22Å; D161-K184 WeakPolarHBondContact OD1-CB 3.4Å; D161-K184 PolarHBondContact OD1-N 2.98Å
162S98.1Very high97.1Very high80 Ų8051.1 Ų51.156%0.55929%0.287SS*.THydrogen-bonded Turntrans-71.8-17.1174.180.60000113.8K158 E159 I160K158-S162 PolarHBondContact O-N 2.85Å; E159-S162 WeakPolarHBondContact O-CB 3.46Å; E159-S162 PolarHBondContact O-N 3.04Å; E159-S162 VanDerWaalsContact O-N 3.16Å; E159-S162 PolarHBondContact O-OG 3.3Å; I160-S162 PolarHBondContact O-N 2.9Å; I160-S162 VanDerWaalsContact O-N 3.16Å
163H98.4Very high97Very high41 Ų4149.6 Ų49.619%0.1928%0.283CS..SBendtrans-71.7152.1-179.3-68.772.3000112.1C142 A143 E159 I160 D161 F165 V166 K184C142-H163 PolarHBondContact O-CD2 3.01Å; A143-H163 HydrophobicContact CB-CB 4Å; E159-H163 PolarHBondContact O-CE1 2.88Å; E159-H163 PolarHBondContact O-ND1 3.12Å; I160-H163 WeakPolarHBondContact O-CB 3.37Å; I160-H163 PolarHBondContact O-N 2.96Å; I160-H163 VanDerWaalsContact O-N 3.11Å; I160-H163 PolarHBondContact O-ND1 3.28Å; D161-H163 VanDerWaalsContact C-N 3.25Å; D161-H163 PolarHBondContact O-N 3.31Å; H163-F165 VanDerWaalsContact C-N 3.28Å; H163-F165 PolarHBondContact O-N 2.82Å; H163-V166 HydrophobicContact CB-CG2 4.41Å; H163-K184 PolarHBondContact O-NZ 3.05Å
164N97.9Very high96.8Very high83 Ų8342.5 Ų42.544%0.44425%0.246SC..SBendtrans-73.5-21.6179.4-57.5146000113.2F139 K140 T141F139-N164 HydrophobicContact CB-CB 4.37Å; K140-N164 WeakPolarHBondContact CB-OD1 3.36Å; T141-N164 PolarHBondContact N-OD1 3.19Å; T141-N164 WeakPolarHBondContact O-CB 3.26Å; T141-N164 PolarHBondContact O-N 3.47Å; T141-N164 VanDerWaalsContact O-N 3.13Å; T141-N164 PolarHBondContact OG1-N 3.06Å; T141-N164 VanDerWaalsContact OG1-N 3.14Å; T141-N164 PolarHBondContact OG1-OD1 3.43Å
165F97.8Very high96.6Very high12 Ų1244.7 Ų44.75%0.05326%0.257CS..EExtended strand (participates in β ladder)trans-148.6125.5-180-164.7-104000110.6M134 F139 T141 C142 A143 H163 I167 D186 F187M134-F165 HydrophobicContact CE-CZ 4.25Å; M134-F165 HydrophobicContact SD-CZ 4.09Å; F139-F165 HydrophobicContact CB-CB 3.98Å; F139-F165 HydrophobicContact CD1-CB 3.87Å; F139-F165 HydrophobicContact CD1-CD2 4.09Å; F139-F165 HydrophobicContact CD1-CG 4.27Å; F139-F165 HydrophobicContact CD2-CB 3.75Å; F139-F165 HydrophobicContact CD2-CD1 4.15Å; F139-F165 AromaticContact CD2-CD2 3.87Å; F139-F165 HydrophobicContact CD2-CD2 3.87Å; F139-F165 HydrophobicContact CD2-CE2 4.45Å; F139-F165 AromaticContact CD2-CG 3.67Å; F139-F165 HydrophobicContact CD2-CG 3.67Å; F139-F165 HydrophobicContact CE1-CB 4.28Å; F139-F165 AromaticContact CE1-CD2 3.63Å; F139-F165 HydrophobicContact CE1-CD2 3.63Å; F139-F165 HydrophobicContact CE1-CE2 4.28Å; F139-F165 HydrophobicContact CE1-CG 4.25Å; F139-F165 HydrophobicContact CE2-CB 4.19Å; F139-F165 HydrophobicContact CE2-CD1 4.13Å; F139-F165 AromaticContact CE2-CD2 3.38Å; F139-F165 HydrophobicContact CE2-CD2 3.38Å; F139-F165 HydrophobicContact CE2-CE1 4.31Å; F139-F165 AromaticContact CE2-CE2 3.6Å; F139-F165 HydrophobicContact CE2-CE2 3.6Å; F139-F165 AromaticContact CE2-CG 3.65Å; F139-F165 HydrophobicContact CE2-CG 3.65Å; F139-F165 HydrophobicContact CE2-CZ 4.05Å; F139-F165 HydrophobicContact CG-CB 3.58Å; F139-F165 HydrophobicContact CG-CD2 4.2Å; F139-F165 AromaticContact CG-CG 4Å; F139-F165 HydrophobicContact CG-CG 4Å; F139-F165 HydrophobicContact CZ-CB 4.43Å; F139-F165 AromaticContact CZ-CD2 3.24Å; F139-F165 HydrophobicContact CZ-CD2 3.24Å; F139-F165 AromaticContact CZ-CE2 3.49Å; F139-F165 HydrophobicContact CZ-CE2 3.49Å; F139-F165 VanDerWaalsContact CZ-CE2 3.49Å; F139-F165 AromaticContact CZ-CG 3.95Å; F139-F165 HydrophobicContact CZ-CG 3.95Å; F139-F165 HydrophobicContact CZ-CZ 4.36Å; T141-F165 PolarHBondContact O-N 3.15Å; C142-F165 CarbonylContact C-O 3.49Å; C142-F165 WeakPolarHBondContact CA-O 3.06Å; A143-F165 PolarHBondContact N-O 3.31Å; H163-F165 VanDerWaalsContact C-N 3.28Å; H163-F165 PolarHBondContact O-N 2.82Å; F165-I167 HydrophobicContact CD1-CD1 4.17Å; F165-I167 HydrophobicContact CD1-CG1 3.75Å; F165-I167 HydrophobicContact CE1-CD1 3.98Å; F165-I167 HydrophobicContact CE1-CG1 3.61Å; F165-D186 WeakPolarHBondContact CA-OD2 3.43Å; F165-D186 HydrophobicContact CD2-CB 3.44Å; F165-D186 VanDerWaalsContact CD2-CB 3.44Å; F165-D186 HydrophobicContact CE2-CB 3.44Å; F165-D186 VanDerWaalsContact CE2-CB 3.44Å; F165-D186 HydrophobicContact CG-CB 4.12Å; F165-D186 HydrophobicContact CZ-CB 4.11Å; F165-F187 HydrophobicContact CE1-CB 3.77Å; F165-F187 HydrophobicContact CZ-CB 3.63Å; F165-F187 HydrophobicContact CZ-CD2 4.3Å; F165-F187 HydrophobicContact CZ-CG 4.41Å
166V98.3Very high96.4Very high0 Ų048.4 Ų48.40%026%0.261CS..EExtended strand (participates in β ladder)trans-115.8119.9-178-1760000110.4A143 V145 I160 H163 R168 K184 D186 F187A143-V166 HydrophobicContact CB-CG1 4.43Å; A143-V166 HydrophobicContact CB-CG2 4.3Å; A143-V166 WeakPolarHBondContact O-CA 3.37Å; V145-V166 HydrophobicContact CG2-CG1 4.02Å; I160-V166 HydrophobicContact CG2-CG1 3.97Å; I160-V166 HydrophobicContact CG2-CG2 4.36Å; H163-V166 HydrophobicContact CB-CG2 4.41Å; V166-R168 HydrophobicContact CG1-CG 4.13Å; V166-K184 HydrophobicContact CB-CD 4.48Å; V166-K184 HydrophobicContact CB-CG 4.25Å; V166-K184 VanDerWaalsContact CG1-O 3.31Å; V166-K184 WeakPolarHBondContact CG1-O 3.35Å; V166-K184 HydrophobicContact CG2-CB 4.08Å; V166-K184 HydrophobicContact CG2-CD 3.63Å; V166-K184 HydrophobicContact CG2-CG 3.83Å; V166-D186 PolarHBondContact N-OD2 2.89Å; V166-D186 PolarHBondContact O-N 3.18Å; V166-F187 PolarHBondContact O-N 3.42Å; V166-F187 VanDerWaalsContact O-N 3.14Å
167I98.4Very high96.4Very high47 Ų4751.2 Ų51.224%0.24127%0.271CS..EExtended strand (participates in β ladder)trans-100.8126.6176.8-56.1178000108.8A143 V144 V145 F165 F187A143-I167 PolarHBondContact O-N 3.22Å; V144-I167 HydrophobicContact CG2-CB 4.35Å; V144-I167 HydrophobicContact CG2-CD1 4.22Å; V145-I167 PolarHBondContact N-O 3.07Å; F165-I167 HydrophobicContact CD1-CD1 4.17Å; F165-I167 HydrophobicContact CD1-CG1 3.75Å; F165-I167 HydrophobicContact CE1-CD1 3.98Å; F165-I167 HydrophobicContact CE1-CG1 3.61Å; I167-F187 CarbonylContact C-O 3.6Å; I167-F187 VanDerWaalsContact CA-O 3.28Å; I167-F187 WeakPolarHBondContact CA-O 3.49Å; I167-F187 HydrophobicContact CG1-CB 4.21Å; I167-F187 HydrophobicContact CG2-CD1 4.09Å
168R97.9Very high96.4Very high6 Ų652.8 Ų52.82%0.02328%0.283CS..EExtended strand (participates in β ladder)trans-124.1161.3177.5-60.9-166.4-174.7-98.1-3.4112.4V145 D161 V166 V181 G182 K184 S185 F187 I188 T189V145-R168 HydrophobicContact CB-CG 4.41Å; D161-R168 IonicContact OD1-NH2 4Å; V166-R168 HydrophobicContact CG1-CG 4.13Å; R168-V181 PolarHBondContact NH1-O 3.38Å; R168-V181 PolarHBondContact NH2-O 2.99Å; R168-G182 PolarHBondContact NH2-O 2.89Å; R168-K184 PolarHBondContact NE-O 3.16Å; R168-K184 PolarHBondContact NH2-O 2.92Å; R168-S185 WeakPolarHBondContact CD-OG 3.41Å; R168-S185 PolarHBondContact NE-OG 3.41Å; R168-F187 PolarHBondContact N-O 3.46Å; R168-I188 HydrophobicContact CB-CB 4.49Å; R168-I188 HydrophobicContact CB-CD1 3.89Å; R168-I188 HydrophobicContact CB-CG1 3.96Å; R168-I188 WeakPolarHBondContact O-CA 3.15Å; R168-T189 PolarHBondContact O-N 3.1Å
169C96.8Very high96.4Very high37 Ų3747.5 Ų47.525%0.2528%0.275CS..  trans-113.7133.9-173-670000113.4N147 L171 A172 T189N147-C169 PolarHBondContact ND2-O 2.8Å; N147-C169 PolarHBondContact OD1-O 3.27Å; C169-L171 PolarHBondContact O-N 2.84Å; C169-A172 PolarHBondContact O-N 2.85Å; C169-T189 WeakPolarHBondContact CA-OG1 3.39Å
170N96.6Very high96.4Very high68 Ų6845.3 Ų45.336%0.36427%0.265SS..THydrogen-bonded Turntrans54.941165.5-63.5-47.2000115.8A172 T189 N191 V194N170-A172 PolarHBondContact O-N 3.03Å; N170-A172 VanDerWaalsContact O-N 3.12Å; N170-T189 CarbonylContact C-O 3.56Å; N170-T189 WeakPolarHBondContact CA-O 3.27Å; N170-T189 PolarHBondContact N-O 3.3Å; N170-T189 PolarHBondContact N-OG1 3.35Å; N170-N191 WeakPolarHBondContact OD1-CB 3.37Å; N170-N191 PolarHBondContact OD1-N 2.83Å; N170-V194 HydrophobicContact CB-CG2 3.8Å
171L95.9Very high96.3Very high8 Ų845.4 Ų45.44%0.04227%0.266CS..THydrogen-bonded Turntrans4935.8-179.2-67.8-178.7000114.3C169 I188 T189 M190 V194 F199 F211 L215 L218 L223C169-L171 PolarHBondContact O-N 2.84Å; L171-I188 HydrophobicContact CD2-CD1 3.85Å; L171-I188 HydrophobicContact CD2-CG1 4.02Å; L171-I188 HydrophobicContact CD2-CG2 3.94Å; L171-T189 PolarHBondContact N-O 2.84Å; L171-M190 HydrophobicContact CD1-CB 4.07Å; L171-M190 HydrophobicContact CD1-CG 3.53Å; L171-M190 HydrophobicContact CD1-SD 3.71Å; L171-M190 HydrophobicContact CG-CB 3.96Å; L171-M190 HydrophobicContact CG-CG 3.89Å; L171-V194 HydrophobicContact CB-CG1 4.37Å; L171-F199 HydrophobicContact CD1-CE2 4.49Å; L171-F211 HydrophobicContact CD1-CD2 4.4Å; L171-F211 HydrophobicContact CD1-CE2 3.64Å; L171-F211 HydrophobicContact CD1-CZ 4.35Å; L171-L215 HydrophobicContact CD1-CD2 3.98Å; L171-L215 HydrophobicContact CD2-CD2 3.94Å; L171-L218 HydrophobicContact CD2-CD1 4.01Å; L171-L223 HydrophobicContact CD2-CD1 3.85Å; L171-L223 HydrophobicContact CG-CD1 4.38Å
172A93.5Very high96.3Very high17 Ų1743.5 Ų43.514%0.1426%0.256CS..  trans-52.6145.7177.300000112N147 C169 N170 R214N147-A172 WeakPolarHBondContact OD1-CB 3.25Å; C169-A172 PolarHBondContact O-N 2.85Å; N170-A172 PolarHBondContact O-N 3.03Å; N170-A172 VanDerWaalsContact O-N 3.12Å; A172-R214 PolarHBondContact O-NE 2.8Å; A172-R214 PolarHBondContact O-NH2 3.16Å; A172-R214 VanDerWaalsContact O-NH2 3.12Å
173P91.4Very high96.2Very high67 Ų6743.9 Ų43.944%0.43526%0.255SS..  trans-63.5145172.325.7-32000110.7E176 F177P173-E176 WeakPolarHBondContact CB-OE1 3.29Å; P173-F177 HydrophobicContact CB-CD2 4.45Å; P173-F177 HydrophobicContact CB-CE2 4.39Å; P173-F177 HydrophobicContact CG-CD2 4.28Å; P173-F177 HydrophobicContact CG-CE2 3.97Å
174V93.1Very high96Very high9 Ų945.4 Ų45.46%0.05526%0.261CS..  trans-132-24.5-178.3-64.50000113.2F177 A178 V181V174-F177 CarbonylContact O-C 3.26Å; V174-F177 PolarHBondContact O-N 3.04Å; V174-A178 WeakPolarHBondContact O-CA 3.38Å; V174-A178 PolarHBondContact O-N 3.26Å; V174-V181 HydrophobicContact CB-CG2 4.33Å; V174-V181 HydrophobicContact CG1-CG2 4.27Å
175V91.2Very high96Very high89 Ų8942 Ų4254%0.53924%0.244SC..SBendtrans-69.4-48.6-170.5175.90000110.2F177 A178 M217V175-F177 PolarHBondContact O-N 3.46Å; V175-A178 PolarHBondContact O-N 3.38Å; V175-M217 HydrophobicContact CG2-CE 3.84Å; V175-M217 HydrophobicContact CG2-SD 3.7Å
176E93.6Very high95.9Very high130 Ų13043.6 Ų43.661%0.60725%0.253SS*.THydrogen-bonded Turntrans-71.6-14.217962.4-94.8-136.100113.7P173P173-E176 WeakPolarHBondContact CB-OE1 3.29Å
177F96.4Very high95.9Very high76 Ų7644.6 Ų44.633%0.33326%0.257SS..THydrogen-bonded Turntrans-11614.8-179.1-57.1-67.4000112.8L152 P173 V174 V175 A179 D180 V181L152-F177 HydrophobicContact CD2-CD1 3.74Å; L152-F177 HydrophobicContact CD2-CE1 3.71Å; P173-F177 HydrophobicContact CB-CD2 4.45Å; P173-F177 HydrophobicContact CB-CE2 4.39Å; P173-F177 HydrophobicContact CG-CD2 4.28Å; P173-F177 HydrophobicContact CG-CE2 3.97Å; V174-F177 CarbonylContact O-C 3.26Å; V174-F177 PolarHBondContact O-N 3.04Å; V175-F177 PolarHBondContact O-N 3.46Å; F177-A179 PolarHBondContact O-N 3.47Å; F177-A179 VanDerWaalsContact O-N 3.08Å; F177-D180 PolarHBondContact O-N 3.42Å; F177-V181 HydrophobicContact CB-CG1 4.28Å; F177-V181 HydrophobicContact CB-CG2 3.84Å; F177-V181 WeakPolarHBondContact O-CG2 3.23Å; F177-V181 PolarHBondContact O-N 2.94Å
178A97.1Very high95.9Very high34 Ų3442.3 Ų42.328%0.28125%0.246SC..Hα-helixtrans-57.7-31.9-168.100000113.9V174 V175 D180 G182 T183V174-A178 WeakPolarHBondContact O-CA 3.38Å; V174-A178 PolarHBondContact O-N 3.26Å; V175-A178 PolarHBondContact O-N 3.38Å; A178-D180 PolarHBondContact O-N 2.82Å; A178-G182 VanDerWaalsContact O-CA 3.24Å; A178-G182 WeakPolarHBondContact O-CA 3.28Å; A178-G182 PolarHBondContact O-N 3.17Å; A178-T183 HydrophobicContact CB-CG2 3.73Å
179A97.8Very high95.9Very high76 Ų7643.2 Ų43.263%0.62825%0.252SS*.Hα-helixtrans-61-35.1176.100000112.6G155 G157 F177G155-A179 CarbonylContact C-O 3.58Å; G155-A179 VanDerWaalsContact C-O 3.26Å; G155-A179 WeakPolarHBondContact CA-O 3.25Å; G157-A179 WeakPolarHBondContact CA-O 3.48Å; G157-A179 PolarHBondContact N-O 2.72Å; F177-A179 PolarHBondContact O-N 3.47Å; F177-A179 VanDerWaalsContact O-N 3.08Å
180D97.6Very high95.9Very high16 Ų1641.4 Ų41.49%0.08624%0.24CC..Hα-helixtrans-95.4-43.1-174.4-71.4-29.9000112.6L151 D153 S154 G155 C156 G157 F177 A178L151-D180 WeakPolarHBondContact O-CB 3.07Å; L151-D180 VanDerWaalsContact O-CG 3.3Å; D153-D180 WeakPolarHBondContact CA-OD1 3.44Å; D153-D180 PolarHBondContact N-OD1 3.41Å; D153-D180 PolarHBondContact N-OD2 3.44Å; S154-D180 PolarHBondContact N-OD1 3.42Å; G155-D180 PolarHBondContact N-OD1 3.32Å; C156-D180 CarbonylContact C-O 3.54Å; C156-D180 VanDerWaalsContact C-O 3.31Å; C156-D180 VanDerWaalsContact CB-O 3.3Å; C156-D180 WeakPolarHBondContact CB-O 3.34Å; C156-D180 PolarHBondContact N-O 2.91Å; G157-D180 PolarHBondContact N-O 2.93Å; F177-D180 PolarHBondContact O-N 3.42Å; A178-D180 PolarHBondContact O-N 2.82Å
181V97.1Very high95.9Very high17 Ų1741 Ų4110%0.10324%0.238CC..Hα-helixtrans-109.7-8.4-170.7-50.60000113.5L151 R168 V174 F177L151-V181 HydrophobicContact CB-CG1 4.02Å; L151-V181 HydrophobicContact CD1-CG1 3.99Å; R168-V181 PolarHBondContact NH1-O 3.38Å; R168-V181 PolarHBondContact NH2-O 2.99Å; V174-V181 HydrophobicContact CB-CG2 4.33Å; V174-V181 HydrophobicContact CG1-CG2 4.27Å; F177-V181 HydrophobicContact CB-CG1 4.28Å; F177-V181 HydrophobicContact CB-CG2 3.84Å; F177-V181 WeakPolarHBondContact O-CG2 3.23Å; F177-V181 PolarHBondContact O-N 2.94Å
182G96.9Very high95.8Very high1 Ų141 Ų411%0.0124%0.238CC..  trans73178.3-176.400000112.9D161 R168 A178D161-G182 WeakPolarHBondContact OD1-CA 3.39Å; R168-G182 PolarHBondContact NH2-O 2.89Å; A178-G182 VanDerWaalsContact O-CA 3.24Å; A178-G182 WeakPolarHBondContact O-CA 3.28Å; A178-G182 PolarHBondContact O-N 3.17Å
183T95.7Very high95.9Very high87 Ų8741.7 Ų41.753%0.53424%0.242SC..SBendtrans-114.1-25.4-175.459.60000113.1D161 A178 S185D161-T183 VanDerWaalsContact CG-N 3.32Å; D161-T183 PolarHBondContact OD1-N 2.95Å; D161-T183 PolarHBondContact OD2-N 3.31Å; D161-T183 PolarHBondContact OD2-OG1 2.76Å; A178-T183 HydrophobicContact CB-CG2 3.73Å; T183-S185 PolarHBondContact O-N 2.86Å
184K95.8Very high96.1Very high74 Ų7439 Ų3932%0.32222%0.224SC..  trans-65.7133.6-178.7-175.7-176.8-76.9171.70110.2D161 H163 V166 R168D161-K184 HydrophobicContact CB-CB 4.37Å; D161-K184 WeakPolarHBondContact O-CE 3.45Å; D161-K184 PolarHBondContact O-NZ 2.6Å; D161-K184 VanDerWaalsContact OD1-CB 3.22Å; D161-K184 WeakPolarHBondContact OD1-CB 3.4Å; D161-K184 PolarHBondContact OD1-N 2.98Å; H163-K184 PolarHBondContact O-NZ 3.05Å; V166-K184 HydrophobicContact CB-CD 4.48Å; V166-K184 HydrophobicContact CB-CG 4.25Å; V166-K184 VanDerWaalsContact CG1-O 3.31Å; V166-K184 WeakPolarHBondContact CG1-O 3.35Å; V166-K184 HydrophobicContact CG2-CB 4.08Å; V166-K184 HydrophobicContact CG2-CD 3.63Å; V166-K184 HydrophobicContact CG2-CG 3.83Å; R168-K184 PolarHBondContact NE-O 3.16Å; R168-K184 PolarHBondContact NH2-O 2.92Å
185S96.4Very high96.3Very high12 Ų1238.6 Ų38.68%0.08422%0.222CC..  trans-147.1109.7175.7-53.10000107.1R168 T183 S221R168-S185 WeakPolarHBondContact CD-OG 3.41Å; R168-S185 PolarHBondContact NE-OG 3.41Å; T183-S185 PolarHBondContact O-N 2.86Å; S185-S221 WeakPolarHBondContact O-CB 3.45Å; S185-S221 PolarHBondContact O-OG 3.46Å
186D97.3Very high96.5Very high44 Ų4438.4 Ų38.424%0.23522%0.215CC..SBendtrans-100-27.3-179.4-59.8-75.9000112.1F165 V166 S221 V222F165-D186 WeakPolarHBondContact CA-OD2 3.43Å; F165-D186 HydrophobicContact CD2-CB 3.44Å; F165-D186 VanDerWaalsContact CD2-CB 3.44Å; F165-D186 HydrophobicContact CE2-CB 3.44Å; F165-D186 VanDerWaalsContact CE2-CB 3.44Å; F165-D186 HydrophobicContact CG-CB 4.12Å; F165-D186 HydrophobicContact CZ-CB 4.11Å; V166-D186 PolarHBondContact N-OD2 2.89Å; V166-D186 PolarHBondContact O-N 3.18Å; D186-S221 WeakPolarHBondContact CA-OG 3.48Å; D186-S221 WeakPolarHBondContact O-CA 3.45Å; D186-S221 WeakPolarHBondContact O-CB 3.34Å; D186-V222 PolarHBondContact O-N 3.37Å
187F97.8Very high96.6Very high21 Ų2142.1 Ų42.19%0.09222%0.224CC..EExtended strand (participates in β ladder)trans-140.5126176.1-170.1-73.5000109V95 M134 F165 V166 I167 R168 T189 V222 W224V95-F187 HydrophobicContact CG1-CE2 4.1Å; M134-F187 HydrophobicContact SD-CD2 4.45Å; F165-F187 HydrophobicContact CE1-CB 3.77Å; F165-F187 HydrophobicContact CZ-CB 3.63Å; F165-F187 HydrophobicContact CZ-CD2 4.3Å; F165-F187 HydrophobicContact CZ-CG 4.41Å; V166-F187 PolarHBondContact O-N 3.42Å; V166-F187 VanDerWaalsContact O-N 3.14Å; I167-F187 CarbonylContact C-O 3.6Å; I167-F187 VanDerWaalsContact CA-O 3.28Å; I167-F187 WeakPolarHBondContact CA-O 3.49Å; I167-F187 HydrophobicContact CG1-CB 4.21Å; I167-F187 HydrophobicContact CG2-CD1 4.09Å; R168-F187 PolarHBondContact N-O 3.46Å; F187-T189 HydrophobicContact CE1-CG2 4.14Å; F187-V222 CarbonylContact C-O 3.48Å; F187-V222 WeakPolarHBondContact CA-O 3.48Å; F187-V222 HydrophobicContact CB-CB 4.43Å; F187-V222 HydrophobicContact CD2-CB 3.6Å; F187-V222 HydrophobicContact CD2-CG1 3.62Å; F187-V222 HydrophobicContact CD2-CG2 4.18Å; F187-V222 HydrophobicContact CE2-CB 4.15Å; F187-V222 HydrophobicContact CE2-CG1 3.62Å; F187-V222 HydrophobicContact CG-CB 4.15Å; F187-V222 HydrophobicContact CG-CG1 4.4Å; F187-V222 HydrophobicContact CZ-CG1 4.4Å; F187-W224 HydrophobicContact CD1-CB 4.33Å; F187-W224 HydrophobicContact CE1-CB 3.44Å; F187-W224 VanDerWaalsContact CE1-CB 3.44Å; F187-W224 HydrophobicContact CE1-CD2 4.41Å; F187-W224 AromaticContact CE1-CG 3.75Å; F187-W224 HydrophobicContact CE1-CG 3.75Å; F187-W224 HydrophobicContact CE2-CB 4.33Å; F187-W224 HydrophobicContact CZ-CB 3.45Å; F187-W224 VanDerWaalsContact CZ-CB 3.45Å; F187-W224 AromaticContact CZ-CD1 3.45Å; F187-W224 VanDerWaalsContact CZ-CD1 3.45Å; F187-W224 HydrophobicContact CZ-CD2 4.32Å; F187-W224 AromaticContact CZ-CG 3.46Å; F187-W224 HydrophobicContact CZ-CG 3.46Å; F187-W224 VanDerWaalsContact CZ-CG 3.46Å
188I97.8Very high96.5Very high0 Ų041.6 Ų41.60%023%0.233CC..EExtended strand (participates in β ladder)trans-133.9131.1-179.2-166.5156.5000110.8R168 L171 L218 V222 L223 W224R168-I188 HydrophobicContact CB-CB 4.49Å; R168-I188 HydrophobicContact CB-CD1 3.89Å; R168-I188 HydrophobicContact CB-CG1 3.96Å; R168-I188 WeakPolarHBondContact O-CA 3.15Å; L171-I188 HydrophobicContact CD2-CD1 3.85Å; L171-I188 HydrophobicContact CD2-CG1 4.02Å; L171-I188 HydrophobicContact CD2-CG2 3.94Å; I188-L218 HydrophobicContact CD1-CD2 4.28Å; I188-L218 HydrophobicContact CG2-CD1 3.61Å; I188-L218 HydrophobicContact CG2-CD2 3.86Å; I188-L218 HydrophobicContact CG2-CG 4.4Å; I188-V222 PolarHBondContact N-O 3.21Å; I188-L223 HydrophobicContact CG2-CD1 3.89Å; I188-W224 PolarHBondContact O-N 2.88Å
189T97.9Very high96.5Very high24 Ų2440.9 Ų40.915%0.14722%0.224CC..EExtended strand (participates in β ladder)trans-82.4151.1174.268.70000110.7R168 C169 N170 L171 F187 W224R168-T189 PolarHBondContact O-N 3.1Å; C169-T189 WeakPolarHBondContact CA-OG1 3.39Å; N170-T189 CarbonylContact C-O 3.56Å; N170-T189 WeakPolarHBondContact CA-O 3.27Å; N170-T189 PolarHBondContact N-O 3.3Å; N170-T189 PolarHBondContact N-OG1 3.35Å; L171-T189 PolarHBondContact N-O 2.84Å; F187-T189 HydrophobicContact CE1-CG2 4.14Å; T189-W224 CarbonylContact C-O 3.31Å; T189-W224 WeakPolarHBondContact CA-O 3.31Å; T189-W224 HydrophobicContact CG2-CB 4.46Å; T189-W224 HydrophobicContact CG2-CD2 4.34Å; T189-W224 HydrophobicContact CG2-CE3 3.61Å; T189-W224 HydrophobicContact CG2-CZ3 4.2Å
190M97.1Very high96.4Very high0 Ų038.4 Ų38.40%021%0.205CC..  trans-140.390.5171.3-174.5-158.279.400109.5L171 V194 F211 L223 W224 I225 P226 V240L171-M190 HydrophobicContact CD1-CB 4.07Å; L171-M190 HydrophobicContact CD1-CG 3.53Å; L171-M190 HydrophobicContact CD1-SD 3.71Å; L171-M190 HydrophobicContact CG-CB 3.96Å; L171-M190 HydrophobicContact CG-CG 3.89Å; M190-V194 HydrophobicContact CG-CB 4.36Å; M190-F211 HydrophobicContact SD-CE2 3.89Å; M190-F211 HydrophobicContact SD-CZ 3.86Å; M190-L223 HydrophobicContact CB-CD1 3.81Å; M190-W224 PolarHBondContact N-O 3.5Å; M190-I225 HydrophobicContact CB-CG1 4.48Å; M190-I225 HydrophobicContact CE-CB 4.39Å; M190-I225 HydrophobicContact CE-CD1 3.79Å; M190-I225 HydrophobicContact CE-CG1 3.85Å; M190-I225 HydrophobicContact CE-CG2 3.75Å; M190-P226 WeakPolarHBondContact O-CD 3.33Å; M190-V240 HydrophobicContact CE-CB 4.18Å; M190-V240 HydrophobicContact CE-CG1 3.88Å; M190-V240 HydrophobicContact CE-CG2 3.85Å; M190-V240 HydrophobicContact SD-CG1 4.03Å; M190-V240 HydrophobicContact SD-CG2 4.03Å
191N95.9Very high96.3Very high59 Ų5938 Ų3832%0.31621%0.205SC..  trans-58.1134.8167.9-175.5-64.9000109.7N170 S193 V194N170-N191 WeakPolarHBondContact OD1-CB 3.37Å; N170-N191 PolarHBondContact OD1-N 2.83Å; N191-S193 PolarHBondContact O-N 2.89Å; N191-S193 WeakPolarHBondContact OD1-CB 3.45Å; N191-S193 PolarHBondContact OD1-N 3.32Å; N191-S193 PolarHBondContact OD1-OG 3.12Å; N191-V194 HydrophobicContact CB-CG2 4.45Å; N191-V194 VanDerWaalsContact O-CB 3.23Å; N191-V194 WeakPolarHBondContact O-CB 3.46Å; N191-V194 VanDerWaalsContact O-CG2 3.28Å; N191-V194 WeakPolarHBondContact O-CG2 3.47Å; N191-V194 PolarHBondContact O-N 2.99Å
192P95.4Very high96.2Very high9 Ų937.4 Ų37.46%0.05820%0.201CC..THydrogen-bonded Turntrans-55.1-25.2-179-28.235.4000114.9V194 V195 H236 V237P192-V194 PolarHBondContact O-N 2.89Å; P192-V195 PolarHBondContact O-N 3.07Å; P192-H236 HydrophobicContact CB-CB 4.14Å; P192-H236 WeakPolarHBondContact O-CB 3.48Å; P192-H236 PolarHBondContact O-ND1 2.68Å; P192-V237 HydrophobicContact CB-CG2 4.03Å; P192-V237 HydrophobicContact CG-CG2 3.6Å
193S95.1Very high96.1Very high30 Ų3047.3 Ų47.321%0.2124%0.239CC..Hα-helixtrans-65.6-18.7174.963.80000114.1N191 V195 Q196 R197N191-S193 PolarHBondContact O-N 2.89Å; N191-S193 WeakPolarHBondContact OD1-CB 3.45Å; N191-S193 PolarHBondContact OD1-N 3.32Å; N191-S193 PolarHBondContact OD1-OG 3.12Å; S193-V195 PolarHBondContact O-N 3.49Å; S193-Q196 PolarHBondContact O-N 2.82Å; S193-R197 WeakPolarHBondContact O-CG 3.44Å; S193-R197 PolarHBondContact O-N 3.49Å; S193-R197 PolarHBondContact OG-NH1 2.68Å; S193-R197 VanDerWaalsContact OG-NH1 3.16Å
194V95.9Very high96.1Very high12 Ų1246.7 Ų46.77%0.07323%0.232CC..Hα-helixtrans-58.8-37.3175.1170.20000111.1N170 L171 M190 N191 P192 Q196 R197 A198 F199N170-V194 HydrophobicContact CB-CG2 3.8Å; L171-V194 HydrophobicContact CB-CG1 4.37Å; M190-V194 HydrophobicContact CG-CB 4.36Å; N191-V194 HydrophobicContact CB-CG2 4.45Å; N191-V194 VanDerWaalsContact O-CB 3.23Å; N191-V194 WeakPolarHBondContact O-CB 3.46Å; N191-V194 VanDerWaalsContact O-CG2 3.28Å; N191-V194 WeakPolarHBondContact O-CG2 3.47Å; N191-V194 PolarHBondContact O-N 2.99Å; P192-V194 PolarHBondContact O-N 2.89Å; V194-Q196 VanDerWaalsContact C-N 3.28Å; V194-Q196 PolarHBondContact O-N 2.77Å; V194-R197 PolarHBondContact O-N 3.06Å; V194-A198 HydrophobicContact CG1-CB 4.09Å; V194-A198 WeakPolarHBondContact O-CB 3.29Å; V194-A198 PolarHBondContact O-N 3.15Å; V194-F199 HydrophobicContact CG1-CD2 3.97Å; V194-F199 HydrophobicContact CG1-CE2 3.68Å
195V96.8Very high96.1Very high0 Ų048.1 Ų48.10%024%0.24CC..Hα-helixtrans-55.7-45.2177.4173.80000110.9P192 S193 F199 G200 G201 F202 H236 W239 V240P192-V195 PolarHBondContact O-N 3.07Å; S193-V195 PolarHBondContact O-N 3.49Å; V195-F199 CarbonylContact O-C 3.53Å; V195-F199 WeakPolarHBondContact O-CA 3.46Å; V195-F199 WeakPolarHBondContact O-CB 3.32Å; V195-F199 PolarHBondContact O-N 3.34Å; V195-G200 PolarHBondContact O-N 3.06Å; V195-G201 PolarHBondContact O-N 3.03Å; V195-F202 HydrophobicContact CB-CE2 4.48Å; V195-F202 HydrophobicContact CB-CZ 4.42Å; V195-F202 HydrophobicContact CG1-CD1 4.31Å; V195-F202 HydrophobicContact CG1-CD2 3.71Å; V195-F202 HydrophobicContact CG1-CE1 4.11Å; V195-F202 HydrophobicContact CG1-CE2 3.51Å; V195-F202 HydrophobicContact CG1-CG 4.12Å; V195-F202 HydrophobicContact CG1-CZ 3.72Å; V195-F202 HydrophobicContact CG2-CE2 4.16Å; V195-F202 HydrophobicContact CG2-CZ 4.01Å; V195-H236 HydrophobicContact CB-CB 3.95Å; V195-H236 HydrophobicContact CG1-CB 4.25Å; V195-H236 HydrophobicContact CG2-CB 3.98Å; V195-W239 HydrophobicContact CG1-CE3 4.38Å; V195-V240 HydrophobicContact CG2-CG2 3.49Å; V195-V240 VanDerWaalsContact CG2-CG2 3.49Å
196Q95.8Very high96.1Very high85 Ų8550.2 Ų50.240%0.39725%0.254SS..Hα-helixtrans-74.3-41.8178.2-177.25871.500112.7S193 V194S193-Q196 PolarHBondContact O-N 2.82Å; V194-Q196 VanDerWaalsContact C-N 3.28Å; V194-Q196 PolarHBondContact O-N 2.77Å
197R94.9Very high96.1Very high208 Ų20849.1 Ų49.179%0.78525%0.248SC*.Hα-helixtrans-79.5-37.3-170.7-70.7179.3-179151.3-2.6113.8S193 V194S193-R197 WeakPolarHBondContact O-CG 3.44Å; S193-R197 PolarHBondContact O-N 3.49Å; S193-R197 PolarHBondContact OG-NH1 2.68Å; S193-R197 VanDerWaalsContact OG-NH1 3.16Å; V194-R197 PolarHBondContact O-N 3.06Å
198A94.9Very high96Very high65 Ų6552.7 Ų52.754%0.53726%0.261SS..Hα-helixtrans-110.6-21.7-173.500000113.2V194V194-A198 HydrophobicContact CG1-CB 4.09Å; V194-A198 WeakPolarHBondContact O-CB 3.29Å; V194-A198 PolarHBondContact O-N 3.15Å
199F96.7Very high96Very high18 Ų1858.2 Ų58.28%0.07929%0.287CS..SBendtrans-126.230-176-56.2-81.2000112.4L171 V194 V195 G201 F202 D207 K210 F211 R214L171-F199 HydrophobicContact CD1-CE2 4.49Å; V194-F199 HydrophobicContact CG1-CD2 3.97Å; V194-F199 HydrophobicContact CG1-CE2 3.68Å; V195-F199 CarbonylContact O-C 3.53Å; V195-F199 WeakPolarHBondContact O-CA 3.46Å; V195-F199 WeakPolarHBondContact O-CB 3.32Å; V195-F199 PolarHBondContact O-N 3.34Å; F199-G201 PolarHBondContact O-N 3.14Å; F199-F202 HydrophobicContact CB-CD1 4.07Å; F199-F202 HydrophobicContact CB-CE1 3.7Å; F199-F202 HydrophobicContact CG-CE1 4.35Å; F199-F202 PolarHBondContact O-N 3.4Å; F199-D207 VanDerWaalsContact O-CB 3.31Å; F199-D207 WeakPolarHBondContact O-CB 3.48Å; F199-K210 HydrophobicContact CD1-CB 4.31Å; F199-K210 HydrophobicContact CE1-CB 4.38Å; F199-F211 HydrophobicContact CD1-CB 3.7Å; F199-F211 HydrophobicContact CD1-CD2 4.11Å; F199-F211 HydrophobicContact CD1-CG 4.43Å; F199-F211 AromaticContact CD2-CD2 3.7Å; F199-F211 HydrophobicContact CD2-CD2 3.7Å; F199-F211 HydrophobicContact CD2-CE2 4.4Å; F199-F211 HydrophobicContact CE1-CB 3.97Å; F199-F211 HydrophobicContact CE1-CD2 4.1Å; F199-F211 AromaticContact CE2-CD2 3.69Å; F199-F211 HydrophobicContact CE2-CD2 3.69Å; F199-F211 HydrophobicContact CE2-CE2 4.27Å; F199-F211 HydrophobicContact CG-CB 4.11Å; F199-F211 AromaticContact CG-CD2 3.92Å; F199-F211 HydrophobicContact CG-CD2 3.92Å; F199-F211 HydrophobicContact CG-CG 4.49Å; F199-F211 AromaticContact CZ-CD2 3.89Å; F199-F211 HydrophobicContact CZ-CD2 3.89Å; F199-R214 HydrophobicContact CZ-CB 4.42Å; F199-R214 HydrophobicContact CZ-CG 4.46Å
200G95.3Very high95.9Very high24 Ų2462.8 Ų62.825%0.24731%0.305CS..G310 helixtrans58.212.417000000116.4V195 F202 R203V195-G200 PolarHBondContact O-N 3.06Å; G200-F202 VanDerWaalsContact C-N 3.26Å; G200-F202 PolarHBondContact O-N 2.9Å; G200-R203 WeakPolarHBondContact O-CD 3.48Å; G200-R203 WeakPolarHBondContact O-CG 3.39Å
201G95.2Very high95.9Very high8 Ų862.8 Ų62.88%0.08231%0.305CS..G310 helixtrans6923.1-171.200000113.5V195 F199 R203 W239V195-G201 PolarHBondContact O-N 3.03Å; F199-G201 PolarHBondContact O-N 3.14Å; G201-R203 PolarHBondContact O-N 2.87Å; G201-W239 WeakPolarHBondContact O-CZ3 3.41Å
202F96.1Very high95.9Very high4 Ų461.2 Ų61.22%0.01830%0.297CS..G310 helixtrans54.333.4-175.4-54.9-35.1000113.8V195 F199 G200 N204 R208 F211 W239 V240 L243V195-F202 HydrophobicContact CB-CE2 4.48Å; V195-F202 HydrophobicContact CB-CZ 4.42Å; V195-F202 HydrophobicContact CG1-CD1 4.31Å; V195-F202 HydrophobicContact CG1-CD2 3.71Å; V195-F202 HydrophobicContact CG1-CE1 4.11Å; V195-F202 HydrophobicContact CG1-CE2 3.51Å; V195-F202 HydrophobicContact CG1-CG 4.12Å; V195-F202 HydrophobicContact CG1-CZ 3.72Å; V195-F202 HydrophobicContact CG2-CE2 4.16Å; V195-F202 HydrophobicContact CG2-CZ 4.01Å; F199-F202 HydrophobicContact CB-CD1 4.07Å; F199-F202 HydrophobicContact CB-CE1 3.7Å; F199-F202 HydrophobicContact CG-CE1 4.35Å; F199-F202 PolarHBondContact O-N 3.4Å; G200-F202 VanDerWaalsContact C-N 3.26Å; G200-F202 PolarHBondContact O-N 2.9Å; F202-N204 VanDerWaalsContact C-N 3.27Å; F202-N204 PolarHBondContact O-N 3.37Å; F202-R208 HydrophobicContact CB-CG 3.82Å; F202-R208 HydrophobicContact CD1-CG 4.11Å; F202-R208 HydrophobicContact CG-CG 4.09Å; F202-R208 PolarHBondContact O-NE 3.37Å; F202-R208 VanDerWaalsContact O-NE 3.16Å; F202-R208 PolarHBondContact O-NH2 3.29Å; F202-F211 HydrophobicContact CE1-CB 3.62Å; F202-F211 HydrophobicContact CE1-CD1 4.14Å; F202-F211 HydrophobicContact CE1-CD2 4.03Å; F202-F211 AromaticContact CE1-CG 3.66Å; F202-F211 HydrophobicContact CE1-CG 3.66Å; F202-F211 HydrophobicContact CZ-CB 4.15Å; F202-F211 AromaticContact CZ-CD1 3.78Å; F202-F211 HydrophobicContact CZ-CD1 3.78Å; F202-F211 AromaticContact CZ-CD2 3.92Å; F202-F211 HydrophobicContact CZ-CD2 3.92Å; F202-F211 HydrophobicContact CZ-CE1 4.14Å; F202-F211 HydrophobicContact CZ-CE2 4.27Å; F202-F211 AromaticContact CZ-CG 3.66Å; F202-F211 HydrophobicContact CZ-CG 3.66Å; F202-F211 HydrophobicContact CZ-CZ 4.38Å; F202-W239 HydrophobicContact CD2-CB 3.8Å; F202-W239 HydrophobicContact CD2-CD2 4.44Å; F202-W239 AromaticContact CD2-CE3 3.96Å; F202-W239 HydrophobicContact CD2-CE3 3.96Å; F202-W239 HydrophobicContact CD2-CG 4.43Å; F202-W239 HydrophobicContact CE2-CB 3.88Å; F202-V240 HydrophobicContact CE2-CG2 4.09Å; F202-V240 HydrophobicContact CZ-CG2 4.14Å; F202-L243 HydrophobicContact CD2-CD1 4.09Å; F202-L243 HydrophobicContact CE1-CD1 4.25Å; F202-L243 HydrophobicContact CE2-CD1 3.7Å; F202-L243 HydrophobicContact CZ-CD1 3.79Å
203R94.3Very high95.9Very high210 Ų21066.2 Ų66.279%0.79232%0.32SS*.  trans-64.5-31.1-179.2-79175.7170-177.6-3.4113G200 G201G200-R203 WeakPolarHBondContact O-CD 3.48Å; G200-R203 WeakPolarHBondContact O-CG 3.39Å; G201-R203 PolarHBondContact O-N 2.87Å
204N95.6Very high95.9Very high73 Ų7365.7 Ų65.739%0.3931%0.313SS..SBendtrans-127169.7177.960.764.4000110.6F202 S206 D207F202-N204 VanDerWaalsContact C-N 3.27Å; F202-N204 PolarHBondContact O-N 3.37Å; N204-S206 WeakPolarHBondContact OD1-CB 3.49Å; N204-S206 PolarHBondContact OD1-N 3.4Å; N204-D207 PolarHBondContact ND2-OD2 3.3Å; N204-D207 WeakPolarHBondContact OD1-CB 3.46Å; N204-D207 PolarHBondContact OD1-N 3.36Å; N204-D207 PolarHBondContact OD1-OD2 3.21Å
205E95.7Very high95.9Very high105 Ų10565.1 Ų65.149%0.49131%0.31SS..Hα-helixtrans-70.7-37-178.5-16459.4-151.100112.1D207 R208 E209E205-D207 VanDerWaalsContact C-N 3.27Å; E205-D207 PolarHBondContact O-N 3.13Å; E205-R208 WeakPolarHBondContact O-CA 3.46Å; E205-R208 WeakPolarHBondContact O-CB 3.25Å; E205-R208 PolarHBondContact O-N 2.93Å; E205-R208 WeakPolarHBondContact OE2-CD 3.42Å; E205-E209 HydrophobicContact CG-CG 4.37Å; E205-E209 WeakPolarHBondContact O-CG 3.45Å; E205-E209 PolarHBondContact O-N 3.44Å
206S96.8Very high95.8Very high55 Ų5568 Ų6839%0.38533%0.33SS..Hα-helixtrans-58.1-38.7178.5-174.50000112.6N204 R208 E209 K210N204-S206 WeakPolarHBondContact OD1-CB 3.49Å; N204-S206 PolarHBondContact OD1-N 3.4Å; S206-R208 VanDerWaalsContact C-N 3.31Å; S206-R208 PolarHBondContact O-N 2.95Å; S206-E209 PolarHBondContact O-N 2.97Å; S206-K210 WeakPolarHBondContact O-CB 3.45Å; S206-K210 VanDerWaalsContact O-CG 3.25Å; S206-K210 WeakPolarHBondContact O-CG 3.47Å; S206-K210 PolarHBondContact O-N 3.35Å
207D96.6Very high95.6Very high22 Ų2267.7 Ų67.712%0.11833%0.329CS..Hα-helixtrans-64.6-36.4175.7-72.3-23.9000112.1F199 N204 E205 F211F199-D207 VanDerWaalsContact O-CB 3.31Å; F199-D207 WeakPolarHBondContact O-CB 3.48Å; N204-D207 PolarHBondContact ND2-OD2 3.3Å; N204-D207 WeakPolarHBondContact OD1-CB 3.46Å; N204-D207 PolarHBondContact OD1-N 3.36Å; N204-D207 PolarHBondContact OD1-OD2 3.21Å; E205-D207 VanDerWaalsContact C-N 3.27Å; E205-D207 PolarHBondContact O-N 3.13Å; D207-F211 WeakPolarHBondContact O-CB 2.86Å; D207-F211 PolarHBondContact O-N 2.91Å; D207-F211 VanDerWaalsContact O-N 3.13Å
208R97.4Very high95.5Very high95 Ų9558 Ų5836%0.35829%0.293SS..Hα-helixtrans-70.2-44.9176.3-62.1170-169.8-127.6-3.3110.5F202 E205 S206 F211 V212F202-R208 HydrophobicContact CB-CG 3.82Å; F202-R208 HydrophobicContact CD1-CG 4.11Å; F202-R208 HydrophobicContact CG-CG 4.09Å; F202-R208 PolarHBondContact O-NE 3.37Å; F202-R208 VanDerWaalsContact O-NE 3.16Å; F202-R208 PolarHBondContact O-NH2 3.29Å; E205-R208 WeakPolarHBondContact O-CA 3.46Å; E205-R208 WeakPolarHBondContact O-CB 3.25Å; E205-R208 PolarHBondContact O-N 2.93Å; E205-R208 WeakPolarHBondContact OE2-CD 3.42Å; S206-R208 VanDerWaalsContact C-N 3.31Å; S206-R208 PolarHBondContact O-N 2.95Å; R208-F211 WeakPolarHBondContact O-CB 3.18Å; R208-F211 PolarHBondContact O-N 3.26Å; R208-V212 WeakPolarHBondContact O-CB 3.19Å; R208-V212 VanDerWaalsContact O-CG2 3.29Å; R208-V212 WeakPolarHBondContact O-CG2 3.35Å; R208-V212 PolarHBondContact O-N 3.19Å
209E96.9Very high95Very high116 Ų11660.3 Ų60.354%0.54230%0.296SS..Hα-helixtrans-60.1-46.3176.6-70.8172.417200111.3E205 S206 F211 V212 H213E205-E209 HydrophobicContact CG-CG 4.37Å; E205-E209 WeakPolarHBondContact O-CG 3.45Å; E205-E209 PolarHBondContact O-N 3.44Å; S206-E209 PolarHBondContact O-N 2.97Å; E209-F211 VanDerWaalsContact C-N 3.3Å; E209-F211 PolarHBondContact O-N 3.13Å; E209-V212 PolarHBondContact O-N 3.06Å; E209-H213 VanDerWaalsContact O-CB 3.26Å; E209-H213 WeakPolarHBondContact O-CB 3.07Å; E209-H213 PolarHBondContact O-N 3.24Å
210K95.4Very high94.7Very high120 Ų12063.4 Ų63.452%0.52231%0.314SS..Hα-helixtrans-58-42.5174.8-75.1171.4-173.5171.30111.9F199 S206 R214F199-K210 HydrophobicContact CD1-CB 4.31Å; F199-K210 HydrophobicContact CE1-CB 4.38Å; S206-K210 WeakPolarHBondContact O-CB 3.45Å; S206-K210 VanDerWaalsContact O-CG 3.25Å; S206-K210 WeakPolarHBondContact O-CG 3.47Å; S206-K210 PolarHBondContact O-N 3.35Å; K210-R214 WeakPolarHBondContact O-CB 3.42Å; K210-R214 PolarHBondContact O-N 3.12Å
211F96.7Very high94.8Very high0 Ų062.8 Ų62.80%031%0.306CS..Hα-helixtrans-66.2-47.8177.7-178-97.4000112.2L171 M190 F199 F202 D207 R208 E209 H213 R214 L215 V240 L243L171-F211 HydrophobicContact CD1-CD2 4.4Å; L171-F211 HydrophobicContact CD1-CE2 3.64Å; L171-F211 HydrophobicContact CD1-CZ 4.35Å; M190-F211 HydrophobicContact SD-CE2 3.89Å; M190-F211 HydrophobicContact SD-CZ 3.86Å; F199-F211 HydrophobicContact CD1-CB 3.7Å; F199-F211 HydrophobicContact CD1-CD2 4.11Å; F199-F211 HydrophobicContact CD1-CG 4.43Å; F199-F211 AromaticContact CD2-CD2 3.7Å; F199-F211 HydrophobicContact CD2-CD2 3.7Å; F199-F211 HydrophobicContact CD2-CE2 4.4Å; F199-F211 HydrophobicContact CE1-CB 3.97Å; F199-F211 HydrophobicContact CE1-CD2 4.1Å; F199-F211 AromaticContact CE2-CD2 3.69Å; F199-F211 HydrophobicContact CE2-CD2 3.69Å; F199-F211 HydrophobicContact CE2-CE2 4.27Å; F199-F211 HydrophobicContact CG-CB 4.11Å; F199-F211 AromaticContact CG-CD2 3.92Å; F199-F211 HydrophobicContact CG-CD2 3.92Å; F199-F211 HydrophobicContact CG-CG 4.49Å; F199-F211 AromaticContact CZ-CD2 3.89Å; F199-F211 HydrophobicContact CZ-CD2 3.89Å; F202-F211 HydrophobicContact CE1-CB 3.62Å; F202-F211 HydrophobicContact CE1-CD1 4.14Å; F202-F211 HydrophobicContact CE1-CD2 4.03Å; F202-F211 AromaticContact CE1-CG 3.66Å; F202-F211 HydrophobicContact CE1-CG 3.66Å; F202-F211 HydrophobicContact CZ-CB 4.15Å; F202-F211 AromaticContact CZ-CD1 3.78Å; F202-F211 HydrophobicContact CZ-CD1 3.78Å; F202-F211 AromaticContact CZ-CD2 3.92Å; F202-F211 HydrophobicContact CZ-CD2 3.92Å; F202-F211 HydrophobicContact CZ-CE1 4.14Å; F202-F211 HydrophobicContact CZ-CE2 4.27Å; F202-F211 AromaticContact CZ-CG 3.66Å; F202-F211 HydrophobicContact CZ-CG 3.66Å; F202-F211 HydrophobicContact CZ-CZ 4.38Å; D207-F211 WeakPolarHBondContact O-CB 2.86Å; D207-F211 PolarHBondContact O-N 2.91Å; D207-F211 VanDerWaalsContact O-N 3.13Å; R208-F211 WeakPolarHBondContact O-CB 3.18Å; R208-F211 PolarHBondContact O-N 3.26Å; E209-F211 VanDerWaalsContact C-N 3.3Å; E209-F211 PolarHBondContact O-N 3.13Å; F211-H213 VanDerWaalsContact C-N 3.34Å; F211-H213 PolarHBondContact O-N 3.31Å; F211-R214 PolarHBondContact O-N 3.35Å; F211-R214 VanDerWaalsContact O-N 3.16Å; F211-L215 HydrophobicContact CD1-CD1 4.1Å; F211-L215 HydrophobicContact CD1-CG 4.37Å; F211-L215 HydrophobicContact CE1-CD1 3.3Å; F211-L215 HydrophobicContact CE1-CG 3.9Å; F211-L215 HydrophobicContact CE2-CD1 4.49Å; F211-L215 HydrophobicContact CE2-CG 4.45Å; F211-L215 HydrophobicContact CZ-CD1 3.53Å; F211-L215 HydrophobicContact CZ-CD2 4.31Å; F211-L215 HydrophobicContact CZ-CG 3.92Å; F211-L215 PolarHBondContact O-N 3.29Å; F211-V240 HydrophobicContact CE1-CB 4.33Å; F211-V240 HydrophobicContact CE1-CG1 3.95Å; F211-V240 HydrophobicContact CE1-CG2 3.99Å; F211-V240 HydrophobicContact CE2-CG2 4.19Å; F211-V240 HydrophobicContact CZ-CB 4.12Å; F211-V240 HydrophobicContact CZ-CG1 3.63Å; F211-V240 HydrophobicContact CZ-CG2 3.54Å; F211-L243 HydrophobicContact CD1-CD1 3.94Å; F211-L243 HydrophobicContact CE1-CD1 4.42Å
212V97.1Very high94.9Very high26 Ų2662.4 Ų62.416%0.15830%0.302CS..Hα-helixtrans-59.5-45.9177.4169.30000110.5R208 E209 R214 L215 S216 L243 N247 L249R208-V212 WeakPolarHBondContact O-CB 3.19Å; R208-V212 VanDerWaalsContact O-CG2 3.29Å; R208-V212 WeakPolarHBondContact O-CG2 3.35Å; R208-V212 PolarHBondContact O-N 3.19Å; E209-V212 PolarHBondContact O-N 3.06Å; V212-R214 VanDerWaalsContact C-N 3.35Å; V212-R214 PolarHBondContact O-N 3.01Å; V212-L215 PolarHBondContact O-N 2.83Å; V212-S216 PolarHBondContact O-N 2.91Å; V212-L243 HydrophobicContact CG2-CD2 4.34Å; V212-N247 HydrophobicContact CG1-CB 4.19Å; V212-L249 HydrophobicContact CG1-CD1 4.4Å; V212-L249 HydrophobicContact CG1-CD2 4.13Å
213H95.3Very high95Very high115 Ų11562.2 Ų62.253%0.53230%0.301SS..Hα-helixtrans-60.1-42.9174.5179.6-91.1000111.9E209 F211 L215 S216 M217E209-H213 VanDerWaalsContact O-CB 3.26Å; E209-H213 WeakPolarHBondContact O-CB 3.07Å; E209-H213 PolarHBondContact O-N 3.24Å; F211-H213 VanDerWaalsContact C-N 3.34Å; F211-H213 PolarHBondContact O-N 3.31Å; H213-L215 VanDerWaalsContact C-N 3.3Å; H213-L215 PolarHBondContact O-N 2.5Å; H213-S216 WeakPolarHBondContact CA-OG 3.48Å; H213-S216 PolarHBondContact O-N 3.03Å; H213-S216 PolarHBondContact O-OG 3.27Å; H213-M217 WeakPolarHBondContact O-CG 3.44Å; H213-M217 PolarHBondContact O-N 3.33Å
214R94.7Very high95.2Very high18 Ų1854.3 Ų54.37%0.06827%0.271CS..Hα-helixtrans-61.4-40.6177.6179.360.3-171.7102.4-12.1112.2A172 F199 K210 F211 V212 L218A172-R214 PolarHBondContact O-NE 2.8Å; A172-R214 PolarHBondContact O-NH2 3.16Å; A172-R214 VanDerWaalsContact O-NH2 3.12Å; F199-R214 HydrophobicContact CZ-CB 4.42Å; F199-R214 HydrophobicContact CZ-CG 4.46Å; K210-R214 WeakPolarHBondContact O-CB 3.42Å; K210-R214 PolarHBondContact O-N 3.12Å; F211-R214 PolarHBondContact O-N 3.35Å; F211-R214 VanDerWaalsContact O-N 3.16Å; V212-R214 VanDerWaalsContact C-N 3.35Å; V212-R214 PolarHBondContact O-N 3.01Å; R214-L218 VanDerWaalsContact NH1-CD2 3.28Å
215L95.7Very high95.2Very high0 Ų050.8 Ų50.80%025%0.253CS..Hα-helixtrans-74.7-34.7178.4-71.6-165.2000112.7L171 F211 V212 H213 M217 L218 L223 I244 L249L171-L215 HydrophobicContact CD1-CD2 3.98Å; L171-L215 HydrophobicContact CD2-CD2 3.94Å; F211-L215 HydrophobicContact CD1-CD1 4.1Å; F211-L215 HydrophobicContact CD1-CG 4.37Å; F211-L215 HydrophobicContact CE1-CD1 3.3Å; F211-L215 HydrophobicContact CE1-CG 3.9Å; F211-L215 HydrophobicContact CE2-CD1 4.49Å; F211-L215 HydrophobicContact CE2-CG 4.45Å; F211-L215 HydrophobicContact CZ-CD1 3.53Å; F211-L215 HydrophobicContact CZ-CD2 4.31Å; F211-L215 HydrophobicContact CZ-CG 3.92Å; F211-L215 PolarHBondContact O-N 3.29Å; V212-L215 PolarHBondContact O-N 2.83Å; H213-L215 VanDerWaalsContact C-N 3.3Å; H213-L215 PolarHBondContact O-N 2.5Å; L215-M217 PolarHBondContact O-N 2.95Å; L215-L218 HydrophobicContact CD2-CD1 3.62Å; L215-L218 WeakPolarHBondContact O-CB 3.41Å; L215-L218 PolarHBondContact O-N 2.57Å; L215-L223 HydrophobicContact CD1-CD2 4.17Å; L215-L223 HydrophobicContact CD2-CD1 4.16Å; L215-L223 HydrophobicContact CD2-CD2 3.85Å; L215-I244 HydrophobicContact CD1-CD1 4.06Å; L215-I244 HydrophobicContact CD1-CG1 3.69Å; L215-L249 HydrophobicContact CB-CD1 3.65Å; L215-L249 HydrophobicContact CD1-CD1 3.91Å; L215-L249 HydrophobicContact CG-CD1 4.43Å
216S94.6Very high95.2Very high61 Ų6146.4 Ų46.443%0.42723%0.233SC..Hα-helixtrans-63.5-29177.566.20000112.4V212 H213 L218V212-S216 PolarHBondContact O-N 2.91Å; H213-S216 WeakPolarHBondContact CA-OG 3.48Å; H213-S216 PolarHBondContact O-N 3.03Å; H213-S216 PolarHBondContact O-OG 3.27Å; S216-L218 PolarHBondContact O-N 3.34Å
217M92.6Very high95Very high78 Ų7844 Ų4438%0.38422%0.216SC..THydrogen-bonded Turntrans-71.9-11.4174.1-65.9-169-6300114.3V175 H213 L215V175-M217 HydrophobicContact CG2-CE 3.84Å; V175-M217 HydrophobicContact CG2-SD 3.7Å; H213-M217 WeakPolarHBondContact O-CG 3.44Å; H213-M217 PolarHBondContact O-N 3.33Å; L215-M217 PolarHBondContact O-N 2.95Å
218L91.9Very high94.6Very high4 Ų443.1 Ų43.12%0.02121%0.212CC..THydrogen-bonded Turntrans-79.4-17.7-178.4-67.4176.9000113.5L171 I188 R214 L215 S216 D220 S221 L223 V251L171-L218 HydrophobicContact CD2-CD1 4.01Å; I188-L218 HydrophobicContact CD1-CD2 4.28Å; I188-L218 HydrophobicContact CG2-CD1 3.61Å; I188-L218 HydrophobicContact CG2-CD2 3.86Å; I188-L218 HydrophobicContact CG2-CG 4.4Å; R214-L218 VanDerWaalsContact NH1-CD2 3.28Å; L215-L218 HydrophobicContact CD2-CD1 3.62Å; L215-L218 WeakPolarHBondContact O-CB 3.41Å; L215-L218 PolarHBondContact O-N 2.57Å; S216-L218 PolarHBondContact O-N 3.34Å; L218-D220 PolarHBondContact O-N 3.25Å; L218-S221 WeakPolarHBondContact O-CB 3.44Å; L218-S221 PolarHBondContact O-N 2.86Å; L218-S221 PolarHBondContact O-OG 2.83Å; L218-L223 HydrophobicContact CD1-CD1 4.39Å; L218-V251 HydrophobicContact CB-CG1 3.92Å; L218-V251 HydrophobicContact CD1-CG1 4.29Å
219N85.6Confident94.1Very high114 Ų11440.5 Ų40.561%0.6120%0.204SC*.THydrogen-bonded Turntrans3481.6169.4-164.750.2000115.9S221N219-S221 PolarHBondContact O-N 3.16Å
220D90.3Very high93.6Very high83 Ų8338.5 Ų38.544%0.44420%0.199SC..THydrogen-bonded Turntrans65.77-178.2-73.1-29.1000116.8L218 Q250 R252L218-D220 PolarHBondContact O-N 3.25Å; D220-Q250 PolarHBondContact N-O 3.39Å; D220-R252 PolarHBondContact O-NE 3.16Å; D220-R252 PolarHBondContact O-NH2 3.2Å
221S96Very high93.3Very high11 Ų1137.9 Ų37.98%0.07720%0.197CC..  trans-71.4158.7172.9-65.20000113.2S185 D186 L218 N219 L223 R252S185-S221 WeakPolarHBondContact O-CB 3.45Å; S185-S221 PolarHBondContact O-OG 3.46Å; D186-S221 WeakPolarHBondContact CA-OG 3.48Å; D186-S221 WeakPolarHBondContact O-CA 3.45Å; D186-S221 WeakPolarHBondContact O-CB 3.34Å; L218-S221 WeakPolarHBondContact O-CB 3.44Å; L218-S221 PolarHBondContact O-N 2.86Å; L218-S221 PolarHBondContact O-OG 2.83Å; N219-S221 PolarHBondContact O-N 3.16Å; S221-L223 PolarHBondContact O-N 3.4Å; S221-R252 PolarHBondContact O-N 3.46Å
222V97.8Very high92.9Very high1 Ų140.6 Ų40.61%0.00623%0.225CC..EExtended strand (participates in β ladder)trans-78.7119.2179.6-177.80000109.7P133 D186 F187 I188 R252 A254P133-V222 HydrophobicContact CB-CG1 4.3Å; P133-V222 HydrophobicContact CB-CG2 3.79Å; D186-V222 PolarHBondContact O-N 3.37Å; F187-V222 CarbonylContact C-O 3.48Å; F187-V222 WeakPolarHBondContact CA-O 3.48Å; F187-V222 HydrophobicContact CB-CB 4.43Å; F187-V222 HydrophobicContact CD2-CB 3.6Å; F187-V222 HydrophobicContact CD2-CG1 3.62Å; F187-V222 HydrophobicContact CD2-CG2 4.18Å; F187-V222 HydrophobicContact CE2-CB 4.15Å; F187-V222 HydrophobicContact CE2-CG1 3.62Å; F187-V222 HydrophobicContact CG-CB 4.15Å; F187-V222 HydrophobicContact CG-CG1 4.4Å; F187-V222 HydrophobicContact CZ-CG1 4.4Å; I188-V222 PolarHBondContact N-O 3.21Å; V222-R252 CarbonylContact C-O 3.57Å; V222-R252 WeakPolarHBondContact CA-O 3.31Å; V222-R252 HydrophobicContact CG2-CB 4.48Å; V222-A254 HydrophobicContact CG1-CB 3.68Å
223L98.1Very high92.6Very high0 Ų039.9 Ų39.90%022%0.223CC..EExtended strand (participates in β ladder)trans-96.6103.7170-178.464.4000109.1L171 I188 M190 L215 L218 S221 I225 I244 R252 T253 A254L171-L223 HydrophobicContact CD2-CD1 3.85Å; L171-L223 HydrophobicContact CG-CD1 4.38Å; I188-L223 HydrophobicContact CG2-CD1 3.89Å; M190-L223 HydrophobicContact CB-CD1 3.81Å; L215-L223 HydrophobicContact CD1-CD2 4.17Å; L215-L223 HydrophobicContact CD2-CD1 4.16Å; L215-L223 HydrophobicContact CD2-CD2 3.85Å; L218-L223 HydrophobicContact CD1-CD1 4.39Å; S221-L223 PolarHBondContact O-N 3.4Å; L223-I225 HydrophobicContact CD2-CD1 3.93Å; L223-I225 HydrophobicContact CD2-CG1 4.31Å; L223-I225 HydrophobicContact CG-CD1 4.11Å; L223-I225 HydrophobicContact CG-CG1 3.94Å; L223-I244 HydrophobicContact CD2-CD1 3.88Å; L223-R252 PolarHBondContact N-O 2.99Å; L223-T253 HydrophobicContact CD2-CG2 4.44Å; L223-T253 WeakPolarHBondContact O-CA 3.45Å; L223-A254 PolarHBondContact O-N 3.49Å
224W97.8Very high92.5Very high43 Ų4336.6 Ų36.616%0.16321%0.207CC..EExtended strand (participates in β ladder)trans-94.2109.8-176-171.185.6000111.6V95 F187 I188 T189 M190 P226 A254 P256 L260V95-W224 VanDerWaalsContact O-CD1 3.27Å; V95-W224 PolarHBondContact O-NE1 2.83Å; F187-W224 HydrophobicContact CD1-CB 4.33Å; F187-W224 HydrophobicContact CE1-CB 3.44Å; F187-W224 VanDerWaalsContact CE1-CB 3.44Å; F187-W224 HydrophobicContact CE1-CD2 4.41Å; F187-W224 AromaticContact CE1-CG 3.75Å; F187-W224 HydrophobicContact CE1-CG 3.75Å; F187-W224 HydrophobicContact CE2-CB 4.33Å; F187-W224 HydrophobicContact CZ-CB 3.45Å; F187-W224 VanDerWaalsContact CZ-CB 3.45Å; F187-W224 AromaticContact CZ-CD1 3.45Å; F187-W224 VanDerWaalsContact CZ-CD1 3.45Å; F187-W224 HydrophobicContact CZ-CD2 4.32Å; F187-W224 AromaticContact CZ-CG 3.46Å; F187-W224 HydrophobicContact CZ-CG 3.46Å; F187-W224 VanDerWaalsContact CZ-CG 3.46Å; I188-W224 PolarHBondContact O-N 2.88Å; T189-W224 CarbonylContact C-O 3.31Å; T189-W224 WeakPolarHBondContact CA-O 3.31Å; T189-W224 HydrophobicContact CG2-CB 4.46Å; T189-W224 HydrophobicContact CG2-CD2 4.34Å; T189-W224 HydrophobicContact CG2-CE3 3.61Å; T189-W224 HydrophobicContact CG2-CZ3 4.2Å; M190-W224 PolarHBondContact N-O 3.5Å; W224-P226 HydrophobicContact CE3-CG 4.31Å; W224-P226 HydrophobicContact CH2-CB 4.15Å; W224-P226 HydrophobicContact CZ3-CB 3.88Å; W224-P226 HydrophobicContact CZ3-CG 3.86Å; W224-P226 WeakPolarHBondContact O-CD 3.48Å; W224-A254 CarbonylContact C-O 3.47Å; W224-A254 WeakPolarHBondContact CA-O 3.5Å; W224-A254 HydrophobicContact CB-CB 4.47Å; W224-A254 HydrophobicContact CG-CB 4.48Å; W224-P256 HydrophobicContact CD2-CG 4.43Å; W224-P256 HydrophobicContact CH2-CB 4.26Å; W224-P256 HydrophobicContact CH2-CG 3.88Å; W224-P256 HydrophobicContact CZ2-CB 3.33Å; W224-P256 HydrophobicContact CZ2-CG 3.34Å; W224-L260 HydrophobicContact CH2-CD2 4.49Å; W224-L260 HydrophobicContact CZ2-CD2 4.22Å
225I97.3Very high92.5Very high0 Ų042.8 Ų42.80%024%0.235CC..  trans-113.1106.1-172.4-52.1179.2000109.2M190 L223 A227 V237 V240 T253 A254 Y255 P256M190-I225 HydrophobicContact CB-CG1 4.48Å; M190-I225 HydrophobicContact CE-CB 4.39Å; M190-I225 HydrophobicContact CE-CD1 3.79Å; M190-I225 HydrophobicContact CE-CG1 3.85Å; M190-I225 HydrophobicContact CE-CG2 3.75Å; L223-I225 HydrophobicContact CD2-CD1 3.93Å; L223-I225 HydrophobicContact CD2-CG1 4.31Å; L223-I225 HydrophobicContact CG-CD1 4.11Å; L223-I225 HydrophobicContact CG-CG1 3.94Å; I225-A227 HydrophobicContact CG2-CB 4.37Å; I225-A227 PolarHBondContact O-N 2.83Å; I225-V237 HydrophobicContact CG2-CG2 4.04Å; I225-V240 HydrophobicContact CD1-CG1 4.14Å; I225-T253 HydrophobicContact CD1-CG2 4.48Å; I225-A254 PolarHBondContact N-O 2.95Å; I225-Y255 HydrophobicContact CB-CD1 3.94Å; I225-Y255 HydrophobicContact CB-CE1 3.82Å; I225-Y255 HydrophobicContact CD1-CE1 4Å; I225-Y255 HydrophobicContact CG1-CE1 4.37Å; I225-Y255 HydrophobicContact CG2-CD1 4.37Å; I225-Y255 HydrophobicContact CG2-CE1 4.15Å; I225-Y255 WeakPolarHBondContact O-CD1 3.35Å; I225-P256 VanDerWaalsContact O-CD 3.23Å; I225-P256 WeakPolarHBondContact O-CD 3.39Å
226P94.4Very high92.5Very high13 Ų1344.2 Ų44.28%0.08424%0.241CC..  trans-72.464.4176.128.9-33.1000112.6M190 W224 F228 M229 P256M190-P226 WeakPolarHBondContact O-CD 3.33Å; W224-P226 HydrophobicContact CE3-CG 4.31Å; W224-P226 HydrophobicContact CH2-CB 4.15Å; W224-P226 HydrophobicContact CZ3-CB 3.88Å; W224-P226 HydrophobicContact CZ3-CG 3.86Å; W224-P226 WeakPolarHBondContact O-CD 3.48Å; P226-F228 VanDerWaalsContact C-N 3.28Å; P226-F228 PolarHBondContact O-N 3.36Å; P226-M229 HydrophobicContact CB-CB 4.2Å; P226-M229 HydrophobicContact CB-CG 3.41Å; P226-M229 VanDerWaalsContact CB-CG 3.41Å; P226-M229 PolarHBondContact O-N 2.91Å; P226-P256 HydrophobicContact CB-CG 4.11Å
227A92.4Very high92.7Very high4 Ų441.5 Ų41.53%0.03322%0.223CC..THydrogen-bonded Turntrans-66.5-25.8-173.700000114I225 V237 Y255I225-A227 HydrophobicContact CG2-CB 4.37Å; I225-A227 PolarHBondContact O-N 2.83Å; A227-V237 HydrophobicContact CB-CB 4.48Å; A227-V237 HydrophobicContact CB-CG1 3.89Å; A227-V237 HydrophobicContact CB-CG2 3.86Å; A227-Y255 HydrophobicContact CB-CD1 3.81Å; A227-Y255 HydrophobicContact CB-CE1 4.37Å
228F88.6Confident92.9Very high3 Ų340.7 Ų40.71%0.01322%0.218CC..THydrogen-bonded Turntrans-108.39.2-173.8-41.6-58.6000113.2V97 I108 Y110 V111 L118 I120 L124 P226 L258V97-F228 HydrophobicContact CG2-CE2 4.27Å; I108-F228 HydrophobicContact CD1-CD1 4.42Å; I108-F228 HydrophobicContact CD1-CE1 4.04Å; I108-F228 HydrophobicContact CD1-CE2 4.38Å; I108-F228 HydrophobicContact CD1-CZ 4.02Å; I108-F228 HydrophobicContact CG2-CB 4.21Å; I108-F228 HydrophobicContact CG2-CD1 3.91Å; I108-F228 HydrophobicContact CG2-CE1 4.49Å; I108-F228 HydrophobicContact CG2-CG 4.02Å; Y110-F228 WeakPolarHBondContact CA-O 3.25Å; Y110-F228 WeakPolarHBondContact CD1-O 3.41Å; V111-F228 PolarHBondContact N-O 3.38Å; L118-F228 HydrophobicContact CD2-CD1 3.9Å; L118-F228 HydrophobicContact CD2-CE1 3.88Å; I120-F228 HydrophobicContact CD1-CE1 4.06Å; I120-F228 HydrophobicContact CD1-CZ 4.01Å; L124-F228 HydrophobicContact CD1-CZ 4.46Å; L124-F228 HydrophobicContact CD2-CE1 3.78Å; L124-F228 HydrophobicContact CD2-CZ 3.84Å; P226-F228 VanDerWaalsContact C-N 3.28Å; P226-F228 PolarHBondContact O-N 3.36Å; F228-L258 HydrophobicContact CB-CD2 3.96Å
229M86.8Confident93.1Very high41 Ų4145.7 Ų45.720%0.20224%0.236CC..SBendtrans-74.9-52.3-174.2-68.7-61.7-79.500112.4V111 L112 P226V111-M229 HydrophobicContact CB-SD 4Å; V111-M229 HydrophobicContact CG1-CE 3.91Å; V111-M229 HydrophobicContact CG1-SD 3.62Å; V111-M229 HydrophobicContact CG2-SD 3.95Å; L112-M229 WeakPolarHBondContact CB-O 3.4Å; L112-M229 PolarHBondContact N-O 3.09Å; L112-M229 VanDerWaalsContact N-O 3.07Å; P226-M229 HydrophobicContact CB-CB 4.2Å; P226-M229 HydrophobicContact CB-CG 3.41Å; P226-M229 VanDerWaalsContact CB-CG 3.41Å; P226-M229 PolarHBondContact O-N 2.91Å
230V86.9Confident93.7Very high73 Ų7340.3 Ų40.344%0.44221%0.207SC..SBendtrans-135.9147.3-177.5-68.10000110.7Y110 L112Y110-V230 WeakPolarHBondContact CD1-O 3.32Å; Y110-V230 VanDerWaalsContact CE1-O 3.27Å; Y110-V230 WeakPolarHBondContact CE1-O 3.44Å; L112-V230 HydrophobicContact CB-CG1 4.28Å; L112-V230 HydrophobicContact CD1-CG1 3.66Å; L112-V230 HydrophobicContact CG-CG1 4.32Å
231K89.1Confident94.1Very high108 Ų10836.3 Ų36.347%0.4719%0.186SC..THydrogen-bonded Turntrans-67.6146.7172.3-167.2178.7-179.2166.20110.8Y110 R116 E234Y110-K231 HydrophobicContact CD2-CB 4.17Å; Y110-K231 HydrophobicContact CE2-CB 4.08Å; Y110-K231 HydrophobicContact CE2-CG 4.05Å; Y110-K231 HydrophobicContact CG-CB 4.45Å; R116-K231 HydrophobicContact CB-CD 3.99Å; R116-K231 HydrophobicContact CG-CD 3.8Å; K231-E234 WeakPolarHBondContact CA-OE1 3.47Å; K231-E234 WeakPolarHBondContact CG-OE1 3.44Å
232G88.9Confident94.2Very high57 Ų5737.6 Ų37.659%0.58820%0.197SC*.THydrogen-bonded Turntrans113.2-11.5171.900000114.7E234G232-E234 WeakPolarHBondContact CA-OE2 3.48Å; G232-E234 VanDerWaalsContact N-CD 3.31Å; G232-E234 PolarHBondContact N-OE1 3.09Å; G232-E234 PolarHBondContact N-OE2 3.34Å; G232-E234 VanDerWaalsContact N-OE2 3.12Å
233G90.6Very high94.2Very high11 Ų1138.2 Ų38.211%0.11320%0.201CC..  trans-95.80.7179.100000115K235 H236 V237G233-K235 PolarHBondContact O-N 2.86Å; G233-H236 WeakPolarHBondContact O-CB 3.21Å; G233-H236 PolarHBondContact O-N 3.37Å; G233-H236 VanDerWaalsContact O-N 3.13Å; G233-V237 WeakPolarHBondContact O-CG2 3.5Å; G233-V237 PolarHBondContact O-N 2.85Å
234E93.1Very high94.2Very high45 Ų4538.4 Ų38.421%0.2120%0.202CC..Hα-helixtrans-60.7-46.3-167-55.379.3-172.100112Y110 L118 K231 G232 H236 V237 E238Y110-E234 WeakPolarHBondContact OH-CG 3.4Å; Y110-E234 PolarHBondContact OH-OE1 3.36Å; L118-E234 HydrophobicContact CD1-CB 4.09Å; L118-E234 HydrophobicContact CD1-CG 3.76Å; K231-E234 WeakPolarHBondContact CA-OE1 3.47Å; K231-E234 WeakPolarHBondContact CG-OE1 3.44Å; G232-E234 WeakPolarHBondContact CA-OE2 3.48Å; G232-E234 VanDerWaalsContact N-CD 3.31Å; G232-E234 PolarHBondContact N-OE1 3.09Å; G232-E234 PolarHBondContact N-OE2 3.34Å; G232-E234 VanDerWaalsContact N-OE2 3.12Å; E234-H236 VanDerWaalsContact C-N 3.31Å; E234-H236 PolarHBondContact O-N 3.02Å; E234-V237 PolarHBondContact O-N 2.83Å; E234-E238 WeakPolarHBondContact O-CB 3.18Å; E234-E238 PolarHBondContact O-N 2.85Å
235K94.6Very high94.2Very high149 Ų14939.3 Ų39.365%0.64821%0.209SC*.Hα-helixtrans-62.6-40.6178.7-69.5-173.3177-177.70111.4G233 E238 W239G233-K235 PolarHBondContact O-N 2.86Å; K235-E238 PolarHBondContact O-N 3.02Å; K235-W239 HydrophobicContact CB-CZ2 4.27Å; K235-W239 PolarHBondContact O-N 3.33Å
236H96.3Very high94.2Very high29 Ų2947 Ų4713%0.13424%0.242CC..Hα-helixtrans-65.1-43.4177.6-61158000111.2P192 V195 G233 E234 E238 W239 V240P192-H236 HydrophobicContact CB-CB 4.14Å; P192-H236 WeakPolarHBondContact O-CB 3.48Å; P192-H236 PolarHBondContact O-ND1 2.68Å; V195-H236 HydrophobicContact CB-CB 3.95Å; V195-H236 HydrophobicContact CG1-CB 4.25Å; V195-H236 HydrophobicContact CG2-CB 3.98Å; G233-H236 WeakPolarHBondContact O-CB 3.21Å; G233-H236 PolarHBondContact O-N 3.37Å; G233-H236 VanDerWaalsContact O-N 3.13Å; E234-H236 VanDerWaalsContact C-N 3.31Å; E234-H236 PolarHBondContact O-N 3.02Å; H236-E238 VanDerWaalsContact C-N 3.35Å; H236-W239 AromaticContact CD2-CE3 3.79Å; H236-W239 AromaticContact CD2-CZ3 3.57Å; H236-W239 PolarHBondContact O-N 3.3Å; H236-V240 WeakPolarHBondContact O-CB 3.2Å; H236-V240 VanDerWaalsContact O-CG2 3.25Å; H236-V240 WeakPolarHBondContact O-CG2 3.5Å; H236-V240 PolarHBondContact O-N 2.96Å
237V96.8Very high94.4Very high5 Ų549.6 Ų49.63%0.0326%0.256CS..Hα-helixtrans-60.3-46.4174.91750000110.6P192 I225 A227 G233 E234 W239 V240 N241 Y255P192-V237 HydrophobicContact CB-CG2 4.03Å; P192-V237 HydrophobicContact CG-CG2 3.6Å; I225-V237 HydrophobicContact CG2-CG2 4.04Å; A227-V237 HydrophobicContact CB-CB 4.48Å; A227-V237 HydrophobicContact CB-CG1 3.89Å; A227-V237 HydrophobicContact CB-CG2 3.86Å; G233-V237 WeakPolarHBondContact O-CG2 3.5Å; G233-V237 PolarHBondContact O-N 2.85Å; E234-V237 PolarHBondContact O-N 2.83Å; V237-W239 PolarHBondContact O-N 3.44Å; V237-V240 PolarHBondContact O-N 2.9Å; V237-N241 WeakPolarHBondContact O-CB 3.29Å; V237-N241 PolarHBondContact O-N 3.44Å; V237-N241 PolarHBondContact O-OD1 2.87Å; V237-Y255 HydrophobicContact CG1-CE1 4.33Å
238E97Very high94.6Very high61 Ų6158.1 Ų58.129%0.28529%0.292SS..Hα-helixtrans-62.2-43.2179.7-173.857-150.800112S121 N123 E234 K235 H236 N241 A242S121-E238 VanDerWaalsContact CB-OE2 3.25Å; S121-E238 WeakPolarHBondContact CB-OE2 3.3Å; S121-E238 PolarHBondContact OG-OE2 2.91Å; N123-E238 WeakPolarHBondContact CB-OE1 3.49Å; N123-E238 PolarHBondContact ND2-OE1 3.47Å; E234-E238 WeakPolarHBondContact O-CB 3.18Å; E234-E238 PolarHBondContact O-N 2.85Å; K235-E238 PolarHBondContact O-N 3.02Å; H236-E238 VanDerWaalsContact C-N 3.35Å; E238-N241 PolarHBondContact O-N 2.94Å; E238-A242 VanDerWaalsContact O-CB 3.32Å; E238-A242 WeakPolarHBondContact O-CB 3.38Å; E238-A242 PolarHBondContact O-N 3.39Å
239W97.4Very high94.9Very high109 Ų10959.2 Ų59.241%0.41330%0.298SS..Hα-helixtrans-63.6-43.1175.7-63.4-21.3000112.7V195 G201 F202 K235 H236 V237 A242 L243V195-W239 HydrophobicContact CG1-CE3 4.38Å; G201-W239 WeakPolarHBondContact O-CZ3 3.41Å; F202-W239 HydrophobicContact CD2-CB 3.8Å; F202-W239 HydrophobicContact CD2-CD2 4.44Å; F202-W239 AromaticContact CD2-CE3 3.96Å; F202-W239 HydrophobicContact CD2-CE3 3.96Å; F202-W239 HydrophobicContact CD2-CG 4.43Å; F202-W239 HydrophobicContact CE2-CB 3.88Å; K235-W239 HydrophobicContact CB-CZ2 4.27Å; K235-W239 PolarHBondContact O-N 3.33Å; H236-W239 AromaticContact CD2-CE3 3.79Å; H236-W239 AromaticContact CD2-CZ3 3.57Å; H236-W239 PolarHBondContact O-N 3.3Å; V237-W239 PolarHBondContact O-N 3.44Å; W239-A242 PolarHBondContact O-N 2.97Å; W239-L243 WeakPolarHBondContact O-CG 3.47Å; W239-L243 PolarHBondContact O-N 3.02Å
240V98Very high95.2Very high0 Ų063.4 Ų63.40%032%0.317CS..Hα-helixtrans-61-48.7176.5167.60000110.5M190 V195 F202 F211 I225 H236 V237 A242 L243 I244M190-V240 HydrophobicContact CE-CB 4.18Å; M190-V240 HydrophobicContact CE-CG1 3.88Å; M190-V240 HydrophobicContact CE-CG2 3.85Å; M190-V240 HydrophobicContact SD-CG1 4.03Å; M190-V240 HydrophobicContact SD-CG2 4.03Å; V195-V240 HydrophobicContact CG2-CG2 3.49Å; V195-V240 VanDerWaalsContact CG2-CG2 3.49Å; F202-V240 HydrophobicContact CE2-CG2 4.09Å; F202-V240 HydrophobicContact CZ-CG2 4.14Å; F211-V240 HydrophobicContact CE1-CB 4.33Å; F211-V240 HydrophobicContact CE1-CG1 3.95Å; F211-V240 HydrophobicContact CE1-CG2 3.99Å; F211-V240 HydrophobicContact CE2-CG2 4.19Å; F211-V240 HydrophobicContact CZ-CB 4.12Å; F211-V240 HydrophobicContact CZ-CG1 3.63Å; F211-V240 HydrophobicContact CZ-CG2 3.54Å; I225-V240 HydrophobicContact CD1-CG1 4.14Å; H236-V240 WeakPolarHBondContact O-CB 3.2Å; H236-V240 VanDerWaalsContact O-CG2 3.25Å; H236-V240 WeakPolarHBondContact O-CG2 3.5Å; H236-V240 PolarHBondContact O-N 2.96Å; V237-V240 PolarHBondContact O-N 2.9Å; V240-A242 VanDerWaalsContact C-N 3.33Å; V240-A242 PolarHBondContact O-N 3.12Å; V240-L243 PolarHBondContact O-N 2.82Å; V240-I244 HydrophobicContact CG1-CD1 3.75Å; V240-I244 HydrophobicContact CG1-CG1 4.41Å; V240-I244 WeakPolarHBondContact O-CG1 3.38Å; V240-I244 PolarHBondContact O-N 3.41Å
241N98.1Very high95.6Very high0 Ų060.7 Ų60.70%030%0.301CS..Hα-helixtrans-59.8-44.8179-69.6-7000111.5N123 L124 L127 V237 E238 L243 I244 L245 Y255N123-N241 HydrophobicContact CB-CB 4.1Å; L124-N241 WeakPolarHBondContact CA-ND2 3.47Å; L127-N241 HydrophobicContact CD1-CB 3.57Å; V237-N241 WeakPolarHBondContact O-CB 3.29Å; V237-N241 PolarHBondContact O-N 3.44Å; V237-N241 PolarHBondContact O-OD1 2.87Å; E238-N241 PolarHBondContact O-N 2.94Å; N241-L243 VanDerWaalsContact C-N 3.33Å; N241-L243 PolarHBondContact O-N 2.87Å; N241-I244 PolarHBondContact O-N 3.23Å; N241-L245 WeakPolarHBondContact O-CG 3.48Å; N241-L245 PolarHBondContact O-N 3.4Å; N241-Y255 PolarHBondContact OD1-OH 3.43Å
242A98.1Very high96Very high37 Ų3760 Ų6031%0.30630%0.295SS..Hα-helixtrans-61.2-40.5176.500000112.1E238 W239 V240 K246E238-A242 VanDerWaalsContact O-CB 3.32Å; E238-A242 WeakPolarHBondContact O-CB 3.38Å; E238-A242 PolarHBondContact O-N 3.39Å; W239-A242 PolarHBondContact O-N 2.97Å; V240-A242 VanDerWaalsContact C-N 3.33Å; V240-A242 PolarHBondContact O-N 3.12Å; A242-K246 WeakPolarHBondContact O-CB 3.39Å; A242-K246 PolarHBondContact O-N 3.41Å
243L97.9Very high96.4Very high15 Ų1557.7 Ų57.78%0.07927%0.27CS..Hα-helixtrans-67-41176.6-75.8173.4000112.4F202 F211 V212 W239 V240 N241 N247F202-L243 HydrophobicContact CD2-CD1 4.09Å; F202-L243 HydrophobicContact CE1-CD1 4.25Å; F202-L243 HydrophobicContact CE2-CD1 3.7Å; F202-L243 HydrophobicContact CZ-CD1 3.79Å; F211-L243 HydrophobicContact CD1-CD1 3.94Å; F211-L243 HydrophobicContact CE1-CD1 4.42Å; V212-L243 HydrophobicContact CG2-CD2 4.34Å; W239-L243 WeakPolarHBondContact O-CG 3.47Å; W239-L243 PolarHBondContact O-N 3.02Å; V240-L243 PolarHBondContact O-N 2.82Å; N241-L243 VanDerWaalsContact C-N 3.33Å; N241-L243 PolarHBondContact O-N 2.87Å; L243-N247 WeakPolarHBondContact O-CB 3.34Å; L243-N247 PolarHBondContact O-N 2.91Å; L243-N247 PolarHBondContact O-ND2 3.33Å
244I98Very high96.7Very high4 Ų457.2 Ų57.22%0.02126%0.264CS..Hα-helixtrans-59.2-49.4175.9-69.6166.3000110.1L127 L215 L223 V240 N241 K248 L249 V251 T253L127-I244 HydrophobicContact CD1-CB 4.26Å; L127-I244 HydrophobicContact CD1-CD1 4.41Å; L127-I244 HydrophobicContact CD1-CG2 4.21Å; L127-I244 HydrophobicContact CD2-CG2 3.79Å; L215-I244 HydrophobicContact CD1-CD1 4.06Å; L215-I244 HydrophobicContact CD1-CG1 3.69Å; L223-I244 HydrophobicContact CD2-CD1 3.88Å; V240-I244 HydrophobicContact CG1-CD1 3.75Å; V240-I244 HydrophobicContact CG1-CG1 4.41Å; V240-I244 WeakPolarHBondContact O-CG1 3.38Å; V240-I244 PolarHBondContact O-N 3.41Å; N241-I244 PolarHBondContact O-N 3.23Å; I244-K248 WeakPolarHBondContact O-CA 3.42Å; I244-K248 PolarHBondContact O-N 2.97Å; I244-L249 HydrophobicContact CG1-CD1 4.37Å; I244-L249 HydrophobicContact CG2-CB 4.35Å; I244-L249 PolarHBondContact O-N 3.38Å; I244-L249 VanDerWaalsContact O-N 3.07Å; I244-V251 HydrophobicContact CD1-CG2 4.21Å; I244-V251 HydrophobicContact CG1-CG2 4.32Å; I244-V251 HydrophobicContact CG2-CG2 3.99Å; I244-T253 HydrophobicContact CD1-CG2 4.02Å
245L98Very high96.8Very high62 Ų6255 Ų5533%0.32525%0.254SS..Hα-helixtrans-66.5-47-179.6-68.5169.2000112N123 L127 N241 N247 K248N123-L245 HydrophobicContact CB-CD1 3.76Å; N123-L245 WeakPolarHBondContact OD1-CD1 3.49Å; L127-L245 HydrophobicContact CD1-CD1 4.43Å; L127-L245 HydrophobicContact CD1-CG 4.19Å; L127-L245 HydrophobicContact CD2-CD2 3.69Å; L127-L245 HydrophobicContact CD2-CG 4.09Å; L127-L245 HydrophobicContact CG-CD1 4.35Å; L127-L245 HydrophobicContact CG-CD2 4.02Å; L127-L245 HydrophobicContact CG-CG 4.09Å; N241-L245 WeakPolarHBondContact O-CG 3.48Å; N241-L245 PolarHBondContact O-N 3.4Å; L245-N247 VanDerWaalsContact C-N 3.3Å; L245-N247 PolarHBondContact O-N 2.83Å; L245-K248 PolarHBondContact O-N 2.9Å
246K98Very high96.6Very high160 Ų16048.1 Ų48.170%0.69622%0.224SC*.Hα-helixtrans-58.2-41.8179.9-178.4-176.9176.3-170.40111.9A242A242-K246 WeakPolarHBondContact O-CB 3.39Å; A242-K246 PolarHBondContact O-N 3.41Å
247N97.5Very high95.7Very high68 Ų6847.2 Ų47.236%0.36422%0.222SC..THydrogen-bonded Turntrans-95.12.8-176.8-63.1-79.8000113.4V212 L243 L245 L249V212-N247 HydrophobicContact CG1-CB 4.19Å; L243-N247 WeakPolarHBondContact O-CB 3.34Å; L243-N247 PolarHBondContact O-N 2.91Å; L243-N247 PolarHBondContact O-ND2 3.33Å; L245-N247 VanDerWaalsContact C-N 3.3Å; L245-N247 PolarHBondContact O-N 2.83Å; N247-L249 VanDerWaalsContact C-N 3.26Å; N247-L249 HydrophobicContact CB-CD1 4.48Å; N247-L249 HydrophobicContact CB-CD2 3.86Å; N247-L249 HydrophobicContact CB-CG 3.89Å; N247-L249 PolarHBondContact O-N 3.43Å
248K96.4Very high94.3Very high184 Ų18449.9 Ų49.980%0.824%0.235SC*.THydrogen-bonded Turntrans51.144.1-179.4-55.8178.4-178177.30112.7I244 L245 Q250I244-K248 WeakPolarHBondContact O-CA 3.42Å; I244-K248 PolarHBondContact O-N 2.97Å; L245-K248 PolarHBondContact O-N 2.9Å; K248-Q250 PolarHBondContact O-N 3.13Å
249L96.1Very high93Very high25 Ų2554.4 Ų54.413%0.13125%0.25CC..  trans-69.6132.2-175.7-58.8-179.2000110.9V212 L215 I244 N247 V251V212-L249 HydrophobicContact CG1-CD1 4.4Å; V212-L249 HydrophobicContact CG1-CD2 4.13Å; L215-L249 HydrophobicContact CB-CD1 3.65Å; L215-L249 HydrophobicContact CD1-CD1 3.91Å; L215-L249 HydrophobicContact CG-CD1 4.43Å; I244-L249 HydrophobicContact CG1-CD1 4.37Å; I244-L249 HydrophobicContact CG2-CB 4.35Å; I244-L249 PolarHBondContact O-N 3.38Å; I244-L249 VanDerWaalsContact O-N 3.07Å; N247-L249 VanDerWaalsContact C-N 3.26Å; N247-L249 HydrophobicContact CB-CD1 4.48Å; N247-L249 HydrophobicContact CB-CD2 3.86Å; N247-L249 HydrophobicContact CB-CG 3.89Å; N247-L249 PolarHBondContact O-N 3.43Å; L249-V251 VanDerWaalsContact C-N 3.29Å; L249-V251 HydrophobicContact CB-CG2 4.38Å; L249-V251 PolarHBondContact O-N 2.97Å
250Q93.3Very high91.3Very high129 Ų12950.5 Ų50.560%0.60324%0.237SC*.  trans-81.576178-65.7-174.968.300110D220 K248D220-Q250 PolarHBondContact N-O 3.39Å; K248-Q250 PolarHBondContact O-N 3.13Å
251V94.9Very high89.1Confident16 Ų1651 Ų5110%0.09724%0.24CC..  trans-131.1139.1174.7-66.50000109.6L218 I244 L249 T253L218-V251 HydrophobicContact CB-CG1 3.92Å; L218-V251 HydrophobicContact CD1-CG1 4.29Å; I244-V251 HydrophobicContact CD1-CG2 4.21Å; I244-V251 HydrophobicContact CG1-CG2 4.32Å; I244-V251 HydrophobicContact CG2-CG2 3.99Å; L249-V251 VanDerWaalsContact C-N 3.29Å; L249-V251 HydrophobicContact CB-CG2 4.38Å; L249-V251 PolarHBondContact O-N 2.97Å; V251-T253 PolarHBondContact O-N 3.49Å
252R96.3Very high86.8Confident94 Ų9457 Ų5736%0.35527%0.267SS..EExtended strand (participates in β ladder)trans-90.1102.8175.9-69.9-175.4-67.1135.43.4109.2D220 S221 V222 L223D220-R252 PolarHBondContact O-NE 3.16Å; D220-R252 PolarHBondContact O-NH2 3.2Å; S221-R252 PolarHBondContact O-N 3.46Å; V222-R252 CarbonylContact C-O 3.57Å; V222-R252 WeakPolarHBondContact CA-O 3.31Å; V222-R252 HydrophobicContact CG2-CB 4.48Å; L223-R252 PolarHBondContact N-O 2.99Å
253T97.3Very high84.5Confident9 Ų957 Ų576%0.05527%0.268CS..EExtended strand (participates in β ladder)trans-73.9142.5179.435.70000112.1L127 L223 I225 I244 V251 Y255L127-T253 HydrophobicContact CB-CG2 4.49Å; L127-T253 WeakPolarHBondContact CB-OG1 3.25Å; L127-T253 PolarHBondContact O-OG1 2.99Å; L223-T253 HydrophobicContact CD2-CG2 4.44Å; L223-T253 WeakPolarHBondContact O-CA 3.45Å; I225-T253 HydrophobicContact CD1-CG2 4.48Å; I244-T253 HydrophobicContact CD1-CG2 4.02Å; V251-T253 PolarHBondContact O-N 3.49Å; T253-Y255 HydrophobicContact CG2-CE2 4.49Å
254A96.9Very high82Confident0 Ų061.7 Ų61.70%030%0.296CS..EExtended strand (participates in β ladder)trans-136.3132.5176.300000109.6V95 S96 P133 V222 L223 W224 I225V95-A254 HydrophobicContact CG1-CB 4.27Å; S96-A254 WeakPolarHBondContact OG-CA 3.47Å; P133-A254 HydrophobicContact CG-CB 4.2Å; V222-A254 HydrophobicContact CG1-CB 3.68Å; L223-A254 PolarHBondContact O-N 3.49Å; W224-A254 CarbonylContact C-O 3.47Å; W224-A254 WeakPolarHBondContact CA-O 3.5Å; W224-A254 HydrophobicContact CB-CB 4.47Å; W224-A254 HydrophobicContact CG-CB 4.48Å; I225-A254 PolarHBondContact N-O 2.95Å
255Y95.3Very high79.4Confident0 Ų069.2 Ų69.20%033%0.325CS..  trans-125.4105.2-178.6-57.9-92.7000108.8S96 V97 L124 L127 L128 I225 A227 V237 N241 T253S96-Y255 CarbonylContact C-O 3.53Å; S96-Y255 VanDerWaalsContact CA-O 3.23Å; S96-Y255 WeakPolarHBondContact CA-O 3.24Å; S96-Y255 PolarHBondContact OG-N 2.85Å; V97-Y255 PolarHBondContact N-O 3.02Å; L124-Y255 HydrophobicContact CD1-CD1 3.61Å; L124-Y255 HydrophobicContact CD1-CD2 4.14Å; L124-Y255 HydrophobicContact CD1-CE1 3.3Å; L124-Y255 HydrophobicContact CD1-CE2 3.86Å; L124-Y255 HydrophobicContact CD1-CG 4.01Å; L124-Y255 VanDerWaalsContact CD1-CZ 3.44Å; L127-Y255 HydrophobicContact CB-CE2 4.27Å; L128-Y255 HydrophobicContact CD2-CD2 3.5Å; L128-Y255 HydrophobicContact CD2-CE2 4.07Å; L128-Y255 HydrophobicContact CD2-CG 4.15Å; I225-Y255 HydrophobicContact CB-CD1 3.94Å; I225-Y255 HydrophobicContact CB-CE1 3.82Å; I225-Y255 HydrophobicContact CD1-CE1 4Å; I225-Y255 HydrophobicContact CG1-CE1 4.37Å; I225-Y255 HydrophobicContact CG2-CD1 4.37Å; I225-Y255 HydrophobicContact CG2-CE1 4.15Å; I225-Y255 WeakPolarHBondContact O-CD1 3.35Å; A227-Y255 HydrophobicContact CB-CD1 3.81Å; A227-Y255 HydrophobicContact CB-CE1 4.37Å; V237-Y255 HydrophobicContact CG1-CE1 4.33Å; N241-Y255 PolarHBondContact OD1-OH 3.43Å; T253-Y255 HydrophobicContact CG2-CE2 4.49Å
256P91.8Very high76.5Confident3 Ų372.5 Ų72.52%0.01937%0.373CS..  trans-57.6146.9-167.924.1-34.3000113.4V95 W224 I225 P226 L260V95-P256 WeakPolarHBondContact O-CA 3.2Å; W224-P256 HydrophobicContact CD2-CG 4.43Å; W224-P256 HydrophobicContact CH2-CB 4.26Å; W224-P256 HydrophobicContact CH2-CG 3.88Å; W224-P256 HydrophobicContact CZ2-CB 3.33Å; W224-P256 HydrophobicContact CZ2-CG 3.34Å; I225-P256 VanDerWaalsContact O-CD 3.23Å; I225-P256 WeakPolarHBondContact O-CD 3.39Å; P226-P256 HydrophobicContact CB-CG 4.11Å; P256-L260 HydrophobicContact CB-CD2 4.39Å
257S76.9Confident75.4Confident11 Ų1168.1 Ų68.18%0.07736%0.357CS..  trans-68.2155.3-177.898.20000111.8D94 R259 L260D94-S257 PolarHBondContact O-N 2.89Å; D94-S257 VanDerWaalsContact O-N 3.12Å; D94-S257 PolarHBondContact OD1-OG 2.9Å; S257-R259 PolarHBondContact O-N 3.16Å; S257-R259 VanDerWaalsContact O-N 3.16Å; S257-R259 WeakPolarHBondContact OG-CB 3.49Å; S257-R259 PolarHBondContact OG-N 3.44Å; S257-R259 VanDerWaalsContact OG-N 3.09Å; S257-L260 WeakPolarHBondContact O-CB 3.35Å; S257-L260 PolarHBondContact O-N 3.44Å
258L67.9Low74.3Confident61 Ų6168.1 Ų68.132%0.31936%0.356SS..G310 helixtrans-65.1-14.3173.5-59.6177.7000113.2I108 H109 V111 F228 L260 I261I108-L258 HydrophobicContact CG2-CD1 4.1Å; I108-L258 HydrophobicContact CG2-CD2 3.94Å; I108-L258 HydrophobicContact CG2-CG 4.42Å; H109-L258 WeakPolarHBondContact O-CD2 3.4Å; V111-L258 HydrophobicContact CG2-CB 4.4Å; V111-L258 HydrophobicContact CG2-CD2 3.56Å; F228-L258 HydrophobicContact CB-CD2 3.96Å; L258-L260 VanDerWaalsContact C-N 3.26Å; L258-L260 PolarHBondContact O-N 3.48Å; L258-I261 WeakPolarHBondContact O-CD1 3.45Å
259R68.4Low73Confident155 Ų15561.7 Ų61.759%0.58533%0.332SS*.G310 helixtrans-76.4-15.8-178.6-57.3178.371.1-168.10.6112.4S257 I261 H262S257-R259 PolarHBondContact O-N 3.16Å; S257-R259 VanDerWaalsContact O-N 3.16Å; S257-R259 WeakPolarHBondContact OG-CB 3.49Å; S257-R259 PolarHBondContact OG-N 3.44Å; S257-R259 VanDerWaalsContact OG-N 3.09Å; R259-I261 PolarHBondContact O-N 3.36Å; R259-H262 PolarHBondContact O-N 3.12Å; R259-H262 VanDerWaalsContact O-N 3.14Å
260L61.6Low71.7Confident28 Ų2863.8 Ų63.815%0.14734%0.344CS..G310 helixtrans-57.1-19.8179.1-143.684.4000113.5L89 D94 W224 P256 S257 L258 H262 A263 V264L89-L260 HydrophobicContact CD1-CD1 3.52Å; L89-L260 HydrophobicContact CD1-CG 4.48Å; D94-L260 HydrophobicContact CB-CD1 3.81Å; W224-L260 HydrophobicContact CH2-CD2 4.49Å; W224-L260 HydrophobicContact CZ2-CD2 4.22Å; P256-L260 HydrophobicContact CB-CD2 4.39Å; S257-L260 WeakPolarHBondContact O-CB 3.35Å; S257-L260 PolarHBondContact O-N 3.44Å; L258-L260 VanDerWaalsContact C-N 3.26Å; L258-L260 PolarHBondContact O-N 3.48Å; L260-H262 VanDerWaalsContact C-N 3.3Å; L260-H262 PolarHBondContact O-N 3.1Å; L260-A263 PolarHBondContact O-N 3.49Å; L260-V264 PolarHBondContact O-N 3.38Å
261I52.5Low70.3Confident11 Ų1159.8 Ų59.86%0.05633%0.327CS..Hα-helixtrans-55.8-42.4175.2-63.7166.5000112.6V111 L258 R259 A263 V264 R265V111-I261 HydrophobicContact CB-CD1 3.89Å; V111-I261 HydrophobicContact CB-CG1 3.87Å; V111-I261 HydrophobicContact CG1-CB 4.49Å; V111-I261 HydrophobicContact CG1-CD1 3.72Å; V111-I261 HydrophobicContact CG1-CG1 3.15Å; V111-I261 HydrophobicContact CG2-CD1 4.1Å; V111-I261 HydrophobicContact CG2-CG1 4.11Å; V111-I261 WeakPolarHBondContact O-CD1 3.3Å; L258-I261 WeakPolarHBondContact O-CD1 3.45Å; R259-I261 PolarHBondContact O-N 3.36Å; I261-A263 PolarHBondContact O-N 3.39Å; I261-V264 PolarHBondContact O-N 3.37Å; I261-R265 PolarHBondContact O-N 3.38Å
262H49.5Very low68.7Low125 Ų12562.7 Ų62.758%0.57934%0.343SS*.Hα-helixtrans-72-20.6-173-68.9-75.7000112.1R259 L260R259-H262 PolarHBondContact O-N 3.12Å; R259-H262 VanDerWaalsContact O-N 3.14Å; L260-H262 VanDerWaalsContact C-N 3.3Å; L260-H262 PolarHBondContact O-N 3.1Å
263A49.1Very low66.7Low38 Ų3860.4 Ų60.431%0.31434%0.342SS..Hα-helixtrans-84.9-26.3176.800000113.5F88 L89 L260 I261F88-A263 HydrophobicContact CB-CB 4.46Å; L89-A263 HydrophobicContact CB-CB 4.01Å; L89-A263 HydrophobicContact CD1-CB 4.18Å; L260-A263 PolarHBondContact O-N 3.49Å; I261-A263 PolarHBondContact O-N 3.39Å
264V46.1Very low64.4Low113 Ų11364.4 Ų64.469%0.68536%0.364SS*.Hα-helixtrans-95.7-16.2-175.3-175.10000112.6L260 I261L260-V264 PolarHBondContact O-N 3.38Å; I261-V264 PolarHBondContact O-N 3.37Å
265R44.6Very low61.7Low162 Ų16269.8 Ų69.861%0.61139%0.394SS*.  trans-100.723.5177.2-72.2-174.1160.3136.6-3113.7I261I261-R265 PolarHBondContact O-N 3.38Å
266G36.3Very low58.6Low130 Ų13076.1 Ų76.1100%1.3443%0.43SS*.  trans-53.70171.800000111.9

Retrieved 266 of 266 residues in 479.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).