A0A096N6Q8_PAPAN Loading...

Epoxide hydrolase 4

AlphaFold DB (A0A2K6CD51), UniProt , Accession A0A096N6Q8, Species PAPAN (Papio anubis, Olive baboon), Gene EPHX4, Length 362 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M51.2Low62.6Low216 Ų216136.4 Ų136.4100%1.06467%0.666SS**  0-26.80-80.5-177.3176.400114.8
2A50.1Low64Low78 Ų78133.3 Ų133.365%0.64565%0.651SS**Hα-helixtrans-65.2-38.7177.500000114.7L4 R5A2-L4 VanDerWaalsContact C-N 3.32Å; A2-L4 PolarHBondContact O-N 3.3Å; A2-R5 PolarHBondContact O-N 2.9Å
3R51.8Low65Low234 Ų234131.8 Ų131.888%0.88365%0.647SS**Hα-helixtrans-67.1-23-179-70.1-173.8-173.9-174.42.1115.4
4L53.3Low66.1Low139 Ų139128.1 Ų128.173%0.72864%0.636SS**Hα-helixtrans-83.5-28.7177.9-87.6151.5000112.3A2 C7A2-L4 VanDerWaalsContact C-N 3.32Å; A2-L4 PolarHBondContact O-N 3.3Å; L4-C7 PolarHBondContact O-N 3.31Å
5R53.1Low67.2Low212 Ų212126.1 Ų126.180%0.863%0.628SS**Hα-helixtrans-69-32.1177.9-94.3-176.3176.5-178.6-0.4113.1A2 P9A2-R5 PolarHBondContact O-N 2.9Å; R5-P9 WeakPolarHBondContact O-CD 3.29Å
6D58.1Low68Low103 Ų103129.7 Ų129.755%0.55163%0.632SS**THydrogen-bonded Turntrans-83.1-14.5175.8-69.4-26.4000113.6R10D6-R10 VanDerWaalsContact O-CG 3.32Å; D6-R10 WeakPolarHBondContact O-CG 3.45Å
7C66.2Low68.8Low72 Ų72125.4 Ų125.449%0.48662%0.618SS.*Hα-helixtrans-80.9-38.3-175.8-1600000112.3L4 L11L4-C7 PolarHBondContact O-N 3.31Å; C7-L11 VanDerWaalsContact O-CB 3.29Å; C7-L11 WeakPolarHBondContact O-CB 3.45Å; C7-L11 PolarHBondContact O-N 3.28Å
8L72.9Confident69.7Low106 Ų106124.2 Ų124.256%0.55561%0.614SS**Hα-helixtrans-67-45.4-178.2-169.373.9000113R10 L11 M12L8-R10 PolarHBondContact O-N 3.49Å; L8-L11 PolarHBondContact O-N 3.33Å; L8-M12 HydrophobicContact CD1-CE 4.44Å; L8-M12 HydrophobicContact CD2-CE 4.32Å; L8-M12 HydrophobicContact CG-CE 4.18Å; L8-M12 WeakPolarHBondContact O-CB 3.29Å; L8-M12 WeakPolarHBondContact O-CG 3.41Å; L8-M12 PolarHBondContact O-N 2.74Å
9P78.6Confident70.6Confident71 Ų71123.6 Ų123.646%0.46161%0.612SS.*Hα-helixtrans-64.2-39.7175.8-21.534000112.6R5 M12 L13R5-P9 WeakPolarHBondContact O-CD 3.29Å; P9-M12 PolarHBondContact O-N 2.89Å; P9-L13 WeakPolarHBondContact O-CB 3.48Å; P9-L13 VanDerWaalsContact O-CG 3.29Å; P9-L13 WeakPolarHBondContact O-CG 3.44Å; P9-L13 PolarHBondContact O-N 2.72Å
10R74.2Confident71.3Confident176 Ų176121.4 Ų121.466%0.66460%0.599SS**Hα-helixtrans-63.5-46175.9-73.2-178.9-169.5-154.33.1111.5D6 L8 M12 L13 T14D6-R10 VanDerWaalsContact O-CG 3.32Å; D6-R10 WeakPolarHBondContact O-CG 3.45Å; L8-R10 PolarHBondContact O-N 3.49Å; R10-M12 PolarHBondContact O-N 2.9Å; R10-L13 PolarHBondContact O-N 2.92Å; R10-T14 PolarHBondContact O-N 3.37Å; R10-T14 PolarHBondContact O-OG1 3.26Å
11L79.6Confident72Confident93 Ų93119.2 Ų119.249%0.48759%0.585SS.*Hα-helixtrans-61-43.5176.2-177.464.4000111.7C7 L8 L13 T14 L15C7-L11 VanDerWaalsContact O-CB 3.29Å; C7-L11 WeakPolarHBondContact O-CB 3.45Å; C7-L11 PolarHBondContact O-N 3.28Å; L8-L11 PolarHBondContact O-N 3.33Å; L11-L13 PolarHBondContact O-N 3.41Å; L11-T14 PolarHBondContact O-N 2.93Å; L11-L15 HydrophobicContact CD1-CD1 4.42Å; L11-L15 HydrophobicContact CD1-CG 4.45Å; L11-L15 HydrophobicContact CG-CD1 4.08Å; L11-L15 WeakPolarHBondContact O-CB 3.09Å; L11-L15 VanDerWaalsContact O-CG 3.32Å; L11-L15 WeakPolarHBondContact O-CG 3.32Å; L11-L15 PolarHBondContact O-N 3.16Å
12M78.6Confident73.8Confident99 Ų99112 Ų11249%0.48856%0.555SS.*Hα-helixtrans-62.3-40.7175.6-75.6-174.4174.200112.4L8 P9 R10 L15 R16L8-M12 HydrophobicContact CD1-CE 4.44Å; L8-M12 HydrophobicContact CD2-CE 4.32Å; L8-M12 HydrophobicContact CG-CE 4.18Å; L8-M12 WeakPolarHBondContact O-CB 3.29Å; L8-M12 WeakPolarHBondContact O-CG 3.41Å; L8-M12 PolarHBondContact O-N 2.74Å; P9-M12 PolarHBondContact O-N 2.89Å; R10-M12 PolarHBondContact O-N 2.9Å; M12-L15 PolarHBondContact O-N 3.44Å; M12-R16 WeakPolarHBondContact O-CB 3.06Å; M12-R16 VanDerWaalsContact O-CG 3.28Å; M12-R16 WeakPolarHBondContact O-CG 3.14Å; M12-R16 PolarHBondContact O-N 3.49Å
13L77.6Confident75.6Confident115 Ų115113.6 Ų113.660%0.60255%0.552SS**Hα-helixtrans-63.8-44.5174.7-74.3166.9000111.6P9 R10 L11 R16 S17P9-L13 WeakPolarHBondContact O-CB 3.48Å; P9-L13 VanDerWaalsContact O-CG 3.29Å; P9-L13 WeakPolarHBondContact O-CG 3.44Å; P9-L13 PolarHBondContact O-N 2.72Å; R10-L13 PolarHBondContact O-N 2.92Å; L11-L13 PolarHBondContact O-N 3.41Å; L13-R16 PolarHBondContact O-N 2.91Å; L13-S17 WeakPolarHBondContact O-CB 3.48Å; L13-S17 PolarHBondContact O-N 3.39Å
14T79.6Confident77.3Confident79 Ų79102.8 Ų102.849%0.48551%0.512SS..Hα-helixtrans-61.2-46.6175.8-56.70000111.3R10 L11 S17 L18R10-T14 PolarHBondContact O-N 3.37Å; R10-T14 PolarHBondContact O-OG1 3.26Å; L11-T14 PolarHBondContact O-N 2.93Å; T14-S17 PolarHBondContact O-N 3.31Å; T14-L18 HydrophobicContact CG2-CD1 4.05Å; T14-L18 HydrophobicContact CG2-CG 4.43Å; T14-L18 WeakPolarHBondContact O-CB 3.23Å; T14-L18 VanDerWaalsContact O-CG 3.31Å; T14-L18 WeakPolarHBondContact O-CG 3.45Å; T14-L18 PolarHBondContact O-N 3.33Å
15L82.6Confident79.1Confident99 Ų99103.3 Ų103.352%0.51851%0.506SS..Hα-helixtrans-63-42.9178.1-73.3170.4000112.3L11 M12 S17 L18 L19L11-L15 HydrophobicContact CD1-CD1 4.42Å; L11-L15 HydrophobicContact CD1-CG 4.45Å; L11-L15 HydrophobicContact CG-CD1 4.08Å; L11-L15 WeakPolarHBondContact O-CB 3.09Å; L11-L15 VanDerWaalsContact O-CG 3.32Å; L11-L15 WeakPolarHBondContact O-CG 3.32Å; L11-L15 PolarHBondContact O-N 3.16Å; M12-L15 PolarHBondContact O-N 3.44Å; L15-S17 VanDerWaalsContact C-N 3.34Å; L15-S17 PolarHBondContact O-N 3Å; L15-L18 PolarHBondContact O-N 3.4Å; L15-L19 WeakPolarHBondContact O-CB 3.23Å; L15-L19 PolarHBondContact O-N 2.93Å
16R81.3Confident81Confident183 Ų18397.6 Ų97.669%0.69150%0.497SS*.Hα-helixtrans-61.3-43.2174.7-77.1177.8178.9-170.7-0.2111.8M12 L13 L19 F20M12-R16 WeakPolarHBondContact O-CB 3.06Å; M12-R16 VanDerWaalsContact O-CG 3.28Å; M12-R16 WeakPolarHBondContact O-CG 3.14Å; M12-R16 PolarHBondContact O-N 3.49Å; L13-R16 PolarHBondContact O-N 2.91Å; R16-L19 PolarHBondContact O-N 3.27Å; R16-F20 WeakPolarHBondContact O-CB 3.35Å; R16-F20 PolarHBondContact O-N 2.85Å
17S80.3Confident82.7Confident57 Ų5795.1 Ų95.140%0.39948%0.48SS..Hα-helixtrans-63.7-45.9176.8-174.10000111.6L13 T14 L15 L19 F20 W21L13-S17 WeakPolarHBondContact O-CB 3.48Å; L13-S17 PolarHBondContact O-N 3.39Å; T14-S17 PolarHBondContact O-N 3.31Å; L15-S17 VanDerWaalsContact C-N 3.34Å; L15-S17 PolarHBondContact O-N 3Å; S17-L19 VanDerWaalsContact C-N 3.35Å; S17-L19 PolarHBondContact O-N 3.04Å; S17-F20 PolarHBondContact O-N 3.26Å; S17-W21 PolarHBondContact O-N 3.15Å
18L85.5Confident84Confident104 Ų10492.1 Ų92.155%0.54546%0.46SS..Hα-helixtrans-59.5-45.4176.3-74.2171000111.5T14 L15 W21 S22T14-L18 HydrophobicContact CG2-CD1 4.05Å; T14-L18 HydrophobicContact CG2-CG 4.43Å; T14-L18 WeakPolarHBondContact O-CB 3.23Å; T14-L18 VanDerWaalsContact O-CG 3.31Å; T14-L18 WeakPolarHBondContact O-CG 3.45Å; T14-L18 PolarHBondContact O-N 3.33Å; L15-L18 PolarHBondContact O-N 3.4Å; L18-W21 PolarHBondContact O-N 3.21Å; L18-S22 VanDerWaalsContact O-CB 3.31Å; L18-S22 WeakPolarHBondContact O-CB 3.3Å; L18-S22 PolarHBondContact O-N 3.14Å; L18-S22 PolarHBondContact O-OG 2.93Å
19L87.5Confident85Confident112 Ų11288.6 Ų88.659%0.58645%0.45SS*.Hα-helixtrans-62.5-46.9177.9-178.265.4000111.5L15 R16 S17 S22 L23L15-L19 WeakPolarHBondContact O-CB 3.23Å; L15-L19 PolarHBondContact O-N 2.93Å; R16-L19 PolarHBondContact O-N 3.27Å; S17-L19 VanDerWaalsContact C-N 3.35Å; S17-L19 PolarHBondContact O-N 3.04Å; L19-S22 PolarHBondContact O-N 3.25Å; L19-L23 HydrophobicContact CG-CD1 4.35Å; L19-L23 WeakPolarHBondContact O-CG 3.41Å; L19-L23 PolarHBondContact O-N 3.42Å
20F84.4Confident85.8Confident79 Ų7989.8 Ų89.835%0.34645%0.451SS..Hα-helixtrans-56.7-52.5177172.6-99.4000111.6R16 S17 S22 L23 V24 F285R16-F20 WeakPolarHBondContact O-CB 3.35Å; R16-F20 PolarHBondContact O-N 2.85Å; S17-F20 PolarHBondContact O-N 3.26Å; F20-S22 VanDerWaalsContact C-N 3.31Å; F20-S22 PolarHBondContact O-N 2.96Å; F20-L23 PolarHBondContact O-N 2.79Å; F20-V24 HydrophobicContact CD1-CG2 4.36Å; F20-V24 HydrophobicContact CD2-CG2 4.48Å; F20-V24 HydrophobicContact CE1-CG2 3.95Å; F20-V24 HydrophobicContact CE2-CG2 4.08Å; F20-V24 HydrophobicContact CZ-CG2 3.8Å; F20-V24 WeakPolarHBondContact O-CG2 3.34Å; F20-V24 PolarHBondContact O-N 3.33Å; F20-F285 HydrophobicContact CZ-CD1 4.41Å
21W85.5Confident86.7Confident77 Ų7781.7 Ų81.729%0.29242%0.422SS..Hα-helixtrans-64.1-36.7179.3-76.9114.7000112.3S17 L18 L23 V24 Y25 F285S17-W21 PolarHBondContact O-N 3.15Å; L18-W21 PolarHBondContact O-N 3.21Å; W21-L23 PolarHBondContact O-N 3.37Å; W21-V24 HydrophobicContact CE3-CB 4.48Å; W21-V24 HydrophobicContact CE3-CG1 4.43Å; W21-V24 HydrophobicContact CZ3-CG1 4.48Å; W21-V24 PolarHBondContact O-N 3.36Å; W21-Y25 HydrophobicContact CB-CD2 4.26Å; W21-Y25 HydrophobicContact CB-CE2 3.96Å; W21-Y25 HydrophobicContact CE3-CE2 4.03Å; W21-Y25 AromaticContact CE3-CZ 3.92Å; W21-Y25 WeakPolarHBondContact O-CB 3.37Å; W21-Y25 WeakPolarHBondContact O-CD2 3.4Å; W21-Y25 PolarHBondContact O-N 2.84Å; W21-F285 HydrophobicContact CH2-CB 4.04Å; W21-F285 HydrophobicContact CZ3-CB 4.33Å
22S89.3Confident87.5Confident63 Ų6378.3 Ų78.344%0.44141%0.407SS..Hα-helixtrans-59.8-46.8174.6-58.30000111.3L18 L19 F20 Y25 C26L18-S22 VanDerWaalsContact O-CB 3.31Å; L18-S22 WeakPolarHBondContact O-CB 3.3Å; L18-S22 PolarHBondContact O-N 3.14Å; L18-S22 PolarHBondContact O-OG 2.93Å; L19-S22 PolarHBondContact O-N 3.25Å; F20-S22 VanDerWaalsContact C-N 3.31Å; F20-S22 PolarHBondContact O-N 2.96Å; S22-Y25 PolarHBondContact O-N 3Å; S22-C26 WeakPolarHBondContact O-CB 3.31Å; S22-C26 PolarHBondContact O-N 2.94Å; S22-C26 PolarHBondContact O-SG 3.18Å
23L88.3Confident88.3Confident112 Ų11276.7 Ų76.759%0.58641%0.406SS*.Hα-helixtrans-62.6-44.4176.9-70.4171.8000112.2L19 F20 W21 C26 Y27L19-L23 HydrophobicContact CG-CD1 4.35Å; L19-L23 WeakPolarHBondContact O-CG 3.41Å; L19-L23 PolarHBondContact O-N 3.42Å; F20-L23 PolarHBondContact O-N 2.79Å; W21-L23 PolarHBondContact O-N 3.37Å; L23-C26 PolarHBondContact O-N 3.28Å; L23-Y27 PolarHBondContact O-N 3.39Å
24V86.9Confident89.2Confident7 Ų775 Ų754%0.04240%0.396CS..Hα-helixtrans-58.4-51.3176.1171.90000110.2F20 W21 C26 Y27 C28 Y218 F285F20-V24 HydrophobicContact CD1-CG2 4.36Å; F20-V24 HydrophobicContact CD2-CG2 4.48Å; F20-V24 HydrophobicContact CE1-CG2 3.95Å; F20-V24 HydrophobicContact CE2-CG2 4.08Å; F20-V24 HydrophobicContact CZ-CG2 3.8Å; F20-V24 WeakPolarHBondContact O-CG2 3.34Å; F20-V24 PolarHBondContact O-N 3.33Å; W21-V24 HydrophobicContact CE3-CB 4.48Å; W21-V24 HydrophobicContact CE3-CG1 4.43Å; W21-V24 HydrophobicContact CZ3-CG1 4.48Å; W21-V24 PolarHBondContact O-N 3.36Å; V24-C26 PolarHBondContact O-N 3Å; V24-Y27 PolarHBondContact O-N 3.08Å; V24-C28 PolarHBondContact O-N 3.03Å; V24-C28 PolarHBondContact O-SG 3.4Å; V24-Y218 HydrophobicContact CG1-CD1 4.21Å; V24-Y218 HydrophobicContact CG1-CE1 4.25Å; V24-Y218 HydrophobicContact CG2-CE1 4.33Å; V24-F285 HydrophobicContact CG1-CD2 4.16Å; V24-F285 HydrophobicContact CG1-CE2 4.18Å
25Y91.3Very high90Very high151 Ų15173.3 Ų73.359%0.59238%0.383SS*.Hα-helixtrans-65.7-37.9-179.1-68.6-51.6000113.1W21 S22 Y27 C28 G29W21-Y25 HydrophobicContact CB-CD2 4.26Å; W21-Y25 HydrophobicContact CB-CE2 3.96Å; W21-Y25 HydrophobicContact CE3-CE2 4.03Å; W21-Y25 AromaticContact CE3-CZ 3.92Å; W21-Y25 WeakPolarHBondContact O-CB 3.37Å; W21-Y25 WeakPolarHBondContact O-CD2 3.4Å; W21-Y25 PolarHBondContact O-N 2.84Å; S22-Y25 PolarHBondContact O-N 3Å; Y25-Y27 VanDerWaalsContact C-N 3.34Å; Y25-Y27 PolarHBondContact O-N 3.04Å; Y25-C28 PolarHBondContact O-N 2.74Å; Y25-G29 PolarHBondContact O-N 3.49Å
26C93.4Very high90.6Very high92 Ų9272.6 Ų72.662%0.62238%0.379SS*.Hα-helixtrans-58.4-46.3172.6-76.70000111.3S22 L23 V24 G29 L30S22-C26 WeakPolarHBondContact O-CB 3.31Å; S22-C26 PolarHBondContact O-N 2.94Å; S22-C26 PolarHBondContact O-SG 3.18Å; L23-C26 PolarHBondContact O-N 3.28Å; V24-C26 PolarHBondContact O-N 3Å; C26-G29 PolarHBondContact O-N 3.39Å; C26-L30 PolarHBondContact O-N 3.34Å
27Y92.8Very high91.4Very high50 Ų5069.4 Ų69.420%0.19638%0.375CS..Hα-helixtrans-70.1-37.4179.6-163.7-130000112.2L23 V24 Y25 G29 L30 C31 L211 S215 Y218L23-Y27 PolarHBondContact O-N 3.39Å; V24-Y27 PolarHBondContact O-N 3.08Å; Y25-Y27 VanDerWaalsContact C-N 3.34Å; Y25-Y27 PolarHBondContact O-N 3.04Å; Y27-G29 VanDerWaalsContact C-N 3.3Å; Y27-G29 PolarHBondContact O-N 3.25Å; Y27-L30 HydrophobicContact CD2-CB 4.46Å; Y27-L30 HydrophobicContact CD2-CD2 3.95Å; Y27-L30 HydrophobicContact CE2-CD2 3.98Å; Y27-L30 WeakPolarHBondContact O-CB 3.5Å; Y27-L30 PolarHBondContact O-N 3.31Å; Y27-C31 PolarHBondContact O-N 2.88Å; Y27-C31 PolarHBondContact O-SG 2.91Å; Y27-C31 VanDerWaalsContact O-SG 3.33Å; Y27-L211 HydrophobicContact CE1-CD1 4.49Å; Y27-S215 WeakPolarHBondContact OH-CB 3.38Å; Y27-Y218 AromaticContact CD1-CD1 3.56Å; Y27-Y218 HydrophobicContact CD1-CD1 3.56Å; Y27-Y218 AromaticContact CD1-CD2 3.34Å; Y27-Y218 HydrophobicContact CD1-CD2 3.34Å; Y27-Y218 AromaticContact CD1-CE1 3.77Å; Y27-Y218 HydrophobicContact CD1-CE1 3.77Å; Y27-Y218 AromaticContact CD1-CE2 3.58Å; Y27-Y218 HydrophobicContact CD1-CE2 3.58Å; Y27-Y218 AromaticContact CD1-CG 3.31Å; Y27-Y218 HydrophobicContact CD1-CG 3.31Å; Y27-Y218 AromaticContact CD1-CZ 3.78Å; Y27-Y218 HydrophobicContact CE1-CD1 4.46Å; Y27-Y218 AromaticContact CE1-CD2 3.41Å; Y27-Y218 HydrophobicContact CE1-CD2 3.41Å; Y27-Y218 VanDerWaalsContact CE1-CD2 3.41Å; Y27-Y218 AromaticContact CE1-CE2 3.63Å; Y27-Y218 HydrophobicContact CE1-CE2 3.63Å; Y27-Y218 AromaticContact CE1-CG 3.85Å; Y27-Y218 HydrophobicContact CE1-CG 3.85Å; Y27-Y218 HydrophobicContact CG-CD1 4.34Å; Y27-Y218 HydrophobicContact CG-CG 4.33Å
28C93Very high92.1Very high9 Ų972.3 Ų72.36%0.06138%0.381CS..Hα-helixtrans-55.9-44.6169.3-65.70000111.6V24 Y25 C31 A32 Y218V24-C28 PolarHBondContact O-N 3.03Å; V24-C28 PolarHBondContact O-SG 3.4Å; Y25-C28 PolarHBondContact O-N 2.74Å; C28-C31 PolarHBondContact O-N 3.47Å; C28-A32 WeakPolarHBondContact O-CB 3.19Å; C28-A32 PolarHBondContact O-N 2.93Å; C28-Y218 PolarHBondContact SG-O 2.87Å
29G94.4Very high92.6Very high33 Ų3368.1 Ų68.134%0.3436%0.359SS..Hα-helixtrans-63.3-39.1176.500000113.3Y25 C26 Y27 A32 S33Y25-G29 PolarHBondContact O-N 3.49Å; C26-G29 PolarHBondContact O-N 3.39Å; Y27-G29 VanDerWaalsContact C-N 3.3Å; Y27-G29 PolarHBondContact O-N 3.25Å; G29-A32 WeakPolarHBondContact O-CB 3.47Å; G29-A32 PolarHBondContact O-N 2.94Å; G29-S33 WeakPolarHBondContact O-CB 3.25Å; G29-S33 PolarHBondContact O-N 2.8Å; G29-S33 PolarHBondContact O-OG 2.63Å
30L95.4Very high93.1Very high95 Ų9567.3 Ų67.350%0.49735%0.354SS..Hα-helixtrans-62.7-49.5173.2179.863.1000111.4C26 Y27 A32 S33 I34C26-L30 PolarHBondContact O-N 3.34Å; Y27-L30 HydrophobicContact CD2-CB 4.46Å; Y27-L30 HydrophobicContact CD2-CD2 3.95Å; Y27-L30 HydrophobicContact CE2-CD2 3.98Å; Y27-L30 WeakPolarHBondContact O-CB 3.5Å; Y27-L30 PolarHBondContact O-N 3.31Å; L30-A32 VanDerWaalsContact C-N 3.33Å; L30-A32 PolarHBondContact O-N 3.46Å; L30-S33 WeakPolarHBondContact O-CB 3.33Å; L30-S33 PolarHBondContact O-N 2.88Å; L30-S33 VanDerWaalsContact O-N 3.16Å; L30-I34 HydrophobicContact CG-CD1 4.37Å; L30-I34 WeakPolarHBondContact O-CG1 3.34Å; L30-I34 PolarHBondContact O-N 2.8Å; L30-I34 VanDerWaalsContact O-N 3.08Å
31C94.5Very high93.6Very high6 Ų671.9 Ų71.94%0.04137%0.37CS..Hα-helixtrans-59.4-43.6176.3-65.70000111.5Y27 C28 S33 I34 H35 F219Y27-C31 PolarHBondContact O-N 2.88Å; Y27-C31 PolarHBondContact O-SG 2.91Å; Y27-C31 VanDerWaalsContact O-SG 3.33Å; C28-C31 PolarHBondContact O-N 3.47Å; C31-S33 VanDerWaalsContact C-N 3.28Å; C31-S33 PolarHBondContact O-N 3.32Å; C31-I34 PolarHBondContact O-N 2.94Å; C31-H35 PolarHBondContact O-CD2 3.42Å; C31-H35 VanDerWaalsContact O-CD2 3.29Å; C31-H35 PolarHBondContact O-N 3.39Å; C31-H35 VanDerWaalsContact O-N 3.08Å; C31-F219 HydrophobicContact CB-CB 4.04Å
32A94.9Very high94.1Very high22 Ų2269.1 Ų69.118%0.18236%0.362CS..Hα-helixtrans-53.8-47.4174.400000111.4C28 G29 L30 I34 H35 L36 I222C28-A32 WeakPolarHBondContact O-CB 3.19Å; C28-A32 PolarHBondContact O-N 2.93Å; G29-A32 WeakPolarHBondContact O-CB 3.47Å; G29-A32 PolarHBondContact O-N 2.94Å; L30-A32 VanDerWaalsContact C-N 3.33Å; L30-A32 PolarHBondContact O-N 3.46Å; A32-I34 PolarHBondContact O-N 2.91Å; A32-H35 PolarHBondContact O-N 3.07Å; A32-L36 WeakPolarHBondContact O-CB 3.4Å; A32-L36 PolarHBondContact O-N 2.99Å; A32-I222 HydrophobicContact CB-CD1 3.3Å; A32-I222 HydrophobicContact CB-CG1 4.39Å
33S96.4Very high94.4Very high65 Ų6568.4 Ų68.446%0.45535%0.353SS..Hα-helixtrans-64-42.4-177.2-57.20000111.5G29 L30 C31 H35 L36 L37G29-S33 WeakPolarHBondContact O-CB 3.25Å; G29-S33 PolarHBondContact O-N 2.8Å; G29-S33 PolarHBondContact O-OG 2.63Å; L30-S33 WeakPolarHBondContact O-CB 3.33Å; L30-S33 PolarHBondContact O-N 2.88Å; L30-S33 VanDerWaalsContact O-N 3.16Å; C31-S33 VanDerWaalsContact C-N 3.28Å; C31-S33 PolarHBondContact O-N 3.32Å; S33-H35 PolarHBondContact O-N 3.08Å; S33-L36 PolarHBondContact O-N 3.41Å; S33-L37 WeakPolarHBondContact O-CG 3.19Å; S33-L37 PolarHBondContact O-N 2.7Å
34I95.8Very high94.8Very high79 Ų7966.4 Ų66.441%0.40536%0.36SS..Hα-helixtrans-60.7-45.6175.5-65168.2000110.8L30 C31 A32 L37 K38L30-I34 HydrophobicContact CG-CD1 4.37Å; L30-I34 WeakPolarHBondContact O-CG1 3.34Å; L30-I34 PolarHBondContact O-N 2.8Å; L30-I34 VanDerWaalsContact O-N 3.08Å; C31-I34 PolarHBondContact O-N 2.94Å; A32-I34 PolarHBondContact O-N 2.91Å; I34-L37 PolarHBondContact O-N 2.65Å; I34-K38 WeakPolarHBondContact O-CG 3.32Å; I34-K38 PolarHBondContact O-N 3.46Å; I34-K38 VanDerWaalsContact O-N 3.1Å
35H95.9Very high95.1Very high45 Ų4573.3 Ų73.321%0.20839%0.389CS..Hα-helixtrans-70.3-32.8179-80.2-92.7000112.8C31 A32 S33 K38 L39 F219 F225 M229C31-H35 PolarHBondContact O-CD2 3.42Å; C31-H35 VanDerWaalsContact O-CD2 3.29Å; C31-H35 PolarHBondContact O-N 3.39Å; C31-H35 VanDerWaalsContact O-N 3.08Å; A32-H35 PolarHBondContact O-N 3.07Å; S33-H35 PolarHBondContact O-N 3.08Å; H35-K38 WeakPolarHBondContact O-CB 3.47Å; H35-K38 PolarHBondContact O-N 2.72Å; H35-L39 PolarHBondContact O-N 3.18Å; H35-F219 HydrophobicContact CB-CD2 4.1Å; H35-F219 HydrophobicContact CB-CE2 3.51Å; H35-F219 HydrophobicContact CB-CZ 3.96Å; H35-F219 AromaticContact CD2-CD2 3.55Å; H35-F219 AromaticContact CD2-CE2 3.77Å; H35-F219 AromaticContact CD2-CG 3.78Å; H35-F219 AromaticContact CE1-CD1 3.95Å; H35-F219 AromaticContact CE1-CE1 3.85Å; H35-F219 AromaticContact CG-CD2 3.76Å; H35-F219 AromaticContact CG-CE2 3.46Å; H35-F219 VanDerWaalsContact CG-CE2 3.46Å; H35-F219 AromaticContact CG-CZ 3.67Å; H35-F219 AromaticContact ND1-CE1 3.82Å; H35-F219 AromaticContact ND1-CE2 3.97Å; H35-F219 AromaticContact ND1-CZ 3.68Å; H35-F219 AromaticContact NE2-CD1 3.92Å; H35-F219 AromaticContact NE2-CG 3.9Å; H35-F225 HydrophobicContact CB-CE1 3.91Å; H35-F225 HydrophobicContact CB-CZ 4.07Å; H35-M229 HydrophobicContact CB-CE 4.4Å; H35-M229 WeakPolarHBondContact O-CE 3.22Å
36L96.8Very high95.3Very high83 Ų8366.9 Ų66.944%0.43537%0.369SS..Hα-helixtrans-64.7-43172.6-177.961.8000111.3A32 S33 K38 L39 L40 F225A32-L36 WeakPolarHBondContact O-CB 3.4Å; A32-L36 PolarHBondContact O-N 2.99Å; S33-L36 PolarHBondContact O-N 3.41Å; L36-K38 VanDerWaalsContact C-N 3.32Å; L36-K38 PolarHBondContact O-N 2.87Å; L36-L39 HydrophobicContact CD1-CD2 4.29Å; L36-L39 WeakPolarHBondContact O-CB 3.44Å; L36-L39 PolarHBondContact O-N 2.88Å; L36-L39 VanDerWaalsContact O-N 3.15Å; L36-L40 HydrophobicContact CG-CD1 4.35Å; L36-L40 WeakPolarHBondContact O-CG 3.47Å; L36-L40 PolarHBondContact O-N 3.21Å; L36-F225 HydrophobicContact CB-CZ 4.33Å
37L97.2Very high95.4Very high117 Ų11766.2 Ų66.261%0.61336%0.364SS*.Hα-helixtrans-60.9-40.7173.9-70.2172.2000111.8S33 I34 L39 L40 W41S33-L37 WeakPolarHBondContact O-CG 3.19Å; S33-L37 PolarHBondContact O-N 2.7Å; I34-L37 PolarHBondContact O-N 2.65Å; L37-L39 VanDerWaalsContact C-N 3.33Å; L37-L39 PolarHBondContact O-N 3.05Å; L37-L40 PolarHBondContact O-N 2.85Å; L37-W41 WeakPolarHBondContact O-CB 3.29Å; L37-W41 PolarHBondContact O-N 3.34Å
38K95.3Very high95.4Very high117 Ų11768 Ų6851%0.50939%0.388SS..Hα-helixtrans-61.6-40.4173.6-70.4174.9-178.4176.20112.1I34 H35 L36 S42I34-K38 WeakPolarHBondContact O-CG 3.32Å; I34-K38 PolarHBondContact O-N 3.46Å; I34-K38 VanDerWaalsContact O-N 3.1Å; H35-K38 WeakPolarHBondContact O-CB 3.47Å; H35-K38 PolarHBondContact O-N 2.72Å; L36-K38 VanDerWaalsContact C-N 3.32Å; L36-K38 PolarHBondContact O-N 2.87Å; K38-S42 PolarHBondContact O-N 3.04Å
39L96.3Very high95.4Very high16 Ų1673.7 Ų73.78%0.08441%0.414CS..Hα-helixtrans-63.7-50.7175175.964.8000111.2H35 L36 L37 W41 S42 L43 T50 F225 F228 M229 I232H35-L39 PolarHBondContact O-N 3.18Å; L36-L39 HydrophobicContact CD1-CD2 4.29Å; L36-L39 WeakPolarHBondContact O-CB 3.44Å; L36-L39 PolarHBondContact O-N 2.88Å; L36-L39 VanDerWaalsContact O-N 3.15Å; L37-L39 VanDerWaalsContact C-N 3.33Å; L37-L39 PolarHBondContact O-N 3.05Å; L39-W41 VanDerWaalsContact C-N 3.27Å; L39-W41 PolarHBondContact O-N 3.19Å; L39-S42 WeakPolarHBondContact O-CB 3.49Å; L39-S42 PolarHBondContact O-N 3.21Å; L39-L43 HydrophobicContact CD1-CD1 4.34Å; L39-L43 HydrophobicContact CD1-CG 4.32Å; L39-L43 HydrophobicContact CG-CD1 4.09Å; L39-L43 HydrophobicContact CG-CG 4.48Å; L39-L43 WeakPolarHBondContact O-CG 3.36Å; L39-L43 PolarHBondContact O-N 3.41Å; L39-T50 HydrophobicContact CD1-CG2 4.15Å; L39-F225 HydrophobicContact CD2-CE2 4.36Å; L39-F228 HydrophobicContact CD1-CE1 3.95Å; L39-F228 HydrophobicContact CD1-CZ 4.37Å; L39-F228 HydrophobicContact CD2-CE1 3.76Å; L39-F228 HydrophobicContact CD2-CZ 4.47Å; L39-M229 HydrophobicContact CB-CE 4.3Å; L39-M229 HydrophobicContact CB-SD 4Å; L39-M229 HydrophobicContact CD1-SD 4.37Å; L39-I232 HydrophobicContact CD1-CD1 3.93Å
40L97.2Very high95.4Very high95 Ų9572.1 Ų72.150%0.49740%0.398SS..Hα-helixtrans-58.1-41178.3-69.4174.3000111.6L36 L37 L43 G44L36-L40 HydrophobicContact CG-CD1 4.35Å; L36-L40 WeakPolarHBondContact O-CG 3.47Å; L36-L40 PolarHBondContact O-N 3.21Å; L37-L40 PolarHBondContact O-N 2.85Å; L40-L43 PolarHBondContact O-N 2.87Å; L40-G44 PolarHBondContact O-N 2.84Å
41W96Very high95.5Very high175 Ų17572.7 Ų72.766%0.66340%0.397SS*.Hα-helixtrans-62.8-43.5173.7178.4-95.4000112.6L37 L39 L43 G44 K45L37-W41 WeakPolarHBondContact O-CB 3.29Å; L37-W41 PolarHBondContact O-N 3.34Å; L39-W41 VanDerWaalsContact C-N 3.27Å; L39-W41 PolarHBondContact O-N 3.19Å; W41-L43 VanDerWaalsContact C-N 3.34Å; W41-G44 PolarHBondContact O-N 3.44Å; W41-K45 PolarHBondContact O-N 2.87Å; W41-K45 VanDerWaalsContact O-N 3.12Å
42S94.6Very high95.4Very high20 Ų2080.6 Ų80.614%0.1443%0.426CS..Hα-helixtrans-60.8-44.2175.1-168.10000111.3K38 L39 G44 K45 G46 T50 N233K38-S42 PolarHBondContact O-N 3.04Å; L39-S42 WeakPolarHBondContact O-CB 3.49Å; L39-S42 PolarHBondContact O-N 3.21Å; S42-G44 VanDerWaalsContact C-N 3.35Å; S42-G44 PolarHBondContact O-N 3.32Å; S42-K45 PolarHBondContact O-N 3.15Å; S42-G46 PolarHBondContact O-N 3.07Å; S42-G46 VanDerWaalsContact O-N 3.1Å; S42-T50 VanDerWaalsContact C-OG1 3.22Å; S42-T50 PolarHBondContact O-OG1 2.86Å; S42-T50 VanDerWaalsContact O-OG1 3.04Å; S42-T50 PolarHBondContact OG-OG1 3.37Å; S42-N233 PolarHBondContact OG-ND2 2.94Å; S42-N233 VanDerWaalsContact OG-ND2 3.08Å
43L96Very high95.3Very high47 Ų4785.3 Ų85.325%0.24644%0.439CS..Hα-helixtrans-62.1-41.9176.5-68.5172.1000111.5L39 L40 W41 K45 G46 P47 T50 F51L39-L43 HydrophobicContact CD1-CD1 4.34Å; L39-L43 HydrophobicContact CD1-CG 4.32Å; L39-L43 HydrophobicContact CG-CD1 4.09Å; L39-L43 HydrophobicContact CG-CG 4.48Å; L39-L43 WeakPolarHBondContact O-CG 3.36Å; L39-L43 PolarHBondContact O-N 3.41Å; L40-L43 PolarHBondContact O-N 2.87Å; W41-L43 VanDerWaalsContact C-N 3.34Å; L43-K45 VanDerWaalsContact C-N 3.26Å; L43-K45 PolarHBondContact O-N 2.87Å; L43-G46 PolarHBondContact O-N 3.45Å; L43-P47 HydrophobicContact CD2-CB 4.3Å; L43-P47 WeakPolarHBondContact O-CD 3.4Å; L43-P47 WeakPolarHBondContact O-CG 3.48Å; L43-T50 HydrophobicContact CD2-CG2 3.92Å; L43-T50 HydrophobicContact CG-CG2 4.42Å; L43-F51 HydrophobicContact CD2-CD2 4.37Å; L43-F51 HydrophobicContact CD2-CE2 3.43Å; L43-F51 VanDerWaalsContact CD2-CE2 3.43Å; L43-F51 HydrophobicContact CD2-CZ 3.68Å
44G96Very high95.1Very high71 Ų7184.5 Ų84.573%0.73243%0.434SS*.Hα-helixtrans-62-30.7175.500000113.7L40 W41 S42L40-G44 PolarHBondContact O-N 2.84Å; W41-G44 PolarHBondContact O-N 3.44Å; S42-G44 VanDerWaalsContact C-N 3.35Å; S42-G44 PolarHBondContact O-N 3.32Å
45K94.7Very high94.9Very high151 Ų15186.1 Ų86.166%0.65745%0.449SS*.Hα-helixtrans-77.4-30.4174.4-73.8-172.3170.9-173.50113.6W41 S42 L43W41-K45 PolarHBondContact O-N 2.87Å; W41-K45 VanDerWaalsContact O-N 3.12Å; S42-K45 PolarHBondContact O-N 3.15Å; L43-K45 VanDerWaalsContact C-N 3.26Å; L43-K45 PolarHBondContact O-N 2.87Å
46G95.3Very high94.9Very high17 Ų1785.6 Ų85.618%0.17545%0.445CS..  trans168.4102-176.900000112.6S42 L43 A48 Q49 T50S42-G46 PolarHBondContact O-N 3.07Å; S42-G46 VanDerWaalsContact O-N 3.1Å; L43-G46 PolarHBondContact O-N 3.45Å; G46-A48 PolarHBondContact O-N 2.83Å; G46-Q49 PolarHBondContact O-N 3.22Å; G46-T50 PolarHBondContact O-N 3.04Å; G46-T50 PolarHBondContact O-OG1 3.28Å
47P94.1Very high94.7Very high77 Ų7788.9 Ų88.950%0.546%0.459SS..Hα-helixtrans-62.1-43.9179.8-23.834.4000112.6L43 Q49 T50 F51L43-P47 HydrophobicContact CD2-CB 4.3Å; L43-P47 WeakPolarHBondContact O-CD 3.4Å; L43-P47 WeakPolarHBondContact O-CG 3.48Å; P47-Q49 VanDerWaalsContact C-N 3.31Å; P47-Q49 PolarHBondContact O-N 3.08Å; P47-T50 WeakPolarHBondContact O-CB 3.48Å; P47-T50 PolarHBondContact O-N 2.97Å; P47-T50 VanDerWaalsContact O-N 3.15Å; P47-F51 WeakPolarHBondContact O-CD2 3.25Å; P47-F51 PolarHBondContact O-N 2.93Å; P47-F51 VanDerWaalsContact O-N 3.15Å
48A94Very high94.6Very high87 Ų8790.3 Ų90.372%0.71946%0.462SS*.Hα-helixtrans-60.6-39.5179.600000112.4G46 R52G46-A48 PolarHBondContact O-N 2.83Å; A48-R52 PolarHBondContact O-N 3.42Å
49Q93Very high94.7Very high129 Ų12987.9 Ų87.960%0.60346%0.458SS*.Hα-helixtrans-70.6-39.3176-174.1176.728.200111.8G46 P47 F51 R52G46-Q49 PolarHBondContact O-N 3.22Å; P47-Q49 VanDerWaalsContact C-N 3.31Å; P47-Q49 PolarHBondContact O-N 3.08Å; Q49-F51 VanDerWaalsContact C-N 3.26Å; Q49-F51 PolarHBondContact O-N 3.49Å; Q49-R52 WeakPolarHBondContact O-CB 3.44Å; Q49-R52 PolarHBondContact O-N 3.37Å; Q49-R52 VanDerWaalsContact O-N 3.14Å
50T94.8Very high94.7Very high1 Ų188.2 Ų88.21%0.00646%0.461CS..Hα-helixtrans-58.9-39.5179.8-62.60000111.6L39 S42 L43 G46 P47 I232 N233L39-T50 HydrophobicContact CD1-CG2 4.15Å; S42-T50 VanDerWaalsContact C-OG1 3.22Å; S42-T50 PolarHBondContact O-OG1 2.86Å; S42-T50 VanDerWaalsContact O-OG1 3.04Å; S42-T50 PolarHBondContact OG-OG1 3.37Å; L43-T50 HydrophobicContact CD2-CG2 3.92Å; L43-T50 HydrophobicContact CG-CG2 4.42Å; G46-T50 PolarHBondContact O-N 3.04Å; G46-T50 PolarHBondContact O-OG1 3.28Å; P47-T50 WeakPolarHBondContact O-CB 3.48Å; P47-T50 PolarHBondContact O-N 2.97Å; P47-T50 VanDerWaalsContact O-N 3.15Å; T50-I232 HydrophobicContact CG2-CB 4.36Å; T50-I232 HydrophobicContact CG2-CD1 4.39Å; T50-I232 WeakPolarHBondContact O-CB 3.44Å; T50-N233 WeakPolarHBondContact CA-OD1 3.37Å; T50-N233 PolarHBondContact O-N 3.38Å
51F95.8Very high94.7Very high106 Ų10687.2 Ų87.247%0.46547%0.466SS..THydrogen-bonded Turntrans-93.9-0.7179.4-61.4-63.1000114.4L43 P47 Q49 R53 F228 I232L43-F51 HydrophobicContact CD2-CD2 4.37Å; L43-F51 HydrophobicContact CD2-CE2 3.43Å; L43-F51 VanDerWaalsContact CD2-CE2 3.43Å; L43-F51 HydrophobicContact CD2-CZ 3.68Å; P47-F51 WeakPolarHBondContact O-CD2 3.25Å; P47-F51 PolarHBondContact O-N 2.93Å; P47-F51 VanDerWaalsContact O-N 3.15Å; Q49-F51 VanDerWaalsContact C-N 3.26Å; Q49-F51 PolarHBondContact O-N 3.49Å; F51-R53 PolarHBondContact O-N 3.18Å; F51-F228 HydrophobicContact CE1-CE2 4.04Å; F51-F228 AromaticContact CE1-CZ 3.76Å; F51-F228 HydrophobicContact CE1-CZ 3.76Å; F51-I232 HydrophobicContact CD1-CG2 4.47Å
52R93.9Very high94.8Very high173 Ų17379.5 Ų79.565%0.65344%0.439SS*.  trans-64.6132.5177.7-174.3177.3177-178.7-0.8110.3A48 Q49 D234A48-R52 PolarHBondContact O-N 3.42Å; Q49-R52 WeakPolarHBondContact O-CB 3.44Å; Q49-R52 PolarHBondContact O-N 3.37Å; Q49-R52 VanDerWaalsContact O-N 3.14Å; R52-D234 PolarHBondContact O-N 3.03Å
53R92Very high94.9Very high120 Ų12079.1 Ų79.145%0.45344%0.435SS..  trans-137.4138.5171-62.5-177.5-173.116011.4109.3F51 S231F51-R53 PolarHBondContact O-N 3.18Å; R53-S231 PolarHBondContact NE-O 3.45Å; R53-S231 PolarHBondContact NH2-OG 3.32Å
54S92.4Very high95Very high49 Ų4980.9 Ų80.934%0.34345%0.452SS..  trans-86.3127.6171.6-60.10000108.9R56 D234S54-R56 PolarHBondContact O-NH1 3.33Å; S54-R56 VanDerWaalsContact O-NH1 3.14Å; S54-D234 PolarHBondContact N-OD1 2.82Å
55P91.5Very high95Very high113 Ų11379.7 Ų79.773%0.73443%0.428SS*.  trans-59.2138.1171.6-21.933.1000110.8
56R95Very high95.1Very high33 Ų3377.9 Ų77.913%0.12543%0.432CS..  trans-131.576.6179.8-72.5-177.3-179.4780.2108.9S54 D234 E262 I265 Y266 Q270S54-R56 PolarHBondContact O-NH1 3.33Å; S54-R56 VanDerWaalsContact O-NH1 3.14Å; R56-D234 IonicContact CZ-OD1 3.41Å; R56-D234 IonicContact CZ-OD2 3.61Å; R56-D234 IonicContact NH1-OD1 2.74Å; R56-D234 PolarHBondContact NH1-OD1 2.89Å; R56-D234 IonicContact NH1-OD2 3.79Å; R56-D234 IonicContact NH2-OD1 3.78Å; R56-D234 PolarHBondContact NH2-OD1 3.3Å; R56-D234 IonicContact NH2-OD2 2.65Å; R56-D234 PolarHBondContact NH2-OD2 3.21Å; R56-E262 IonicContact CZ-OE2 3.08Å; R56-E262 IonicContact NE-OE2 3.15Å; R56-E262 PolarHBondContact NE-OE2 2.93Å; R56-E262 IonicContact NH2-OE1 3.64Å; R56-E262 PolarHBondContact NH2-OE1 3.37Å; R56-E262 IonicContact NH2-OE2 3.6Å; R56-E262 PolarHBondContact NH2-OE2 3.17Å; R56-E262 VanDerWaalsContact NH2-OE2 3.11Å; R56-I265 VanDerWaalsContact NE-CG2 3.33Å; R56-Y266 HydrophobicContact CB-CD2 4.01Å; R56-Y266 WeakPolarHBondContact O-CE2 3.35Å; R56-Q270 PolarHBondContact O-NE2 2.81Å
57E93.8Very high95.1Very high153 Ų15379 Ų7972%0.71544%0.437SS*.  trans-81.8-29.6-174.3-64.9179.2179.200113
58H95.4Very high95.3Very high146 Ų14675.4 Ų75.468%0.67641%0.414SS*.SBendtrans-114.4136.7-174.7-57.983000110.2Y266H58-Y266 VanDerWaalsContact O-CD2 3.28Å; H58-Y266 WeakPolarHBondContact O-CD2 3.33Å; H58-Y266 WeakPolarHBondContact O-CE2 3.28Å
59P96.2Very high95.5Very high67 Ų6772.1 Ų72.144%0.43539%0.388SS..  trans-65.6141175.126.7-32.6000110.5L63 Y266P59-L63 HydrophobicContact CB-CD1 4.07Å; P59-Y266 HydrophobicContact CB-CD1 4.27Å; P59-Y266 HydrophobicContact CB-CE1 3.69Å; P59-Y266 HydrophobicContact CB-CE2 4.3Å
60P97.5Very high95.8Very high23 Ų2370.4 Ų70.415%0.14939%0.387CS..  trans-58.3148.9170.6-29.139.7000112.4C62 L63 E259 E262 A263P60-C62 PolarHBondContact O-N 3.1Å; P60-L63 WeakPolarHBondContact O-CB 3.27Å; P60-L63 PolarHBondContact O-N 2.96Å; P60-E259 HydrophobicContact CB-CG 4.06Å; P60-E262 HydrophobicContact CG-CB 4.32Å; P60-A263 HydrophobicContact CB-CB 4.43Å; P60-A263 HydrophobicContact CG-CB 4.33Å
61A97.3Very high95.9Very high73 Ų7373.4 Ų73.460%0.60340%0.401SS*.G310 helixtrans-65.8-29.9-171.600000112.4L63 S64 D65 E259A61-L63 PolarHBondContact O-N 3.49Å; A61-L63 VanDerWaalsContact O-N 3.14Å; A61-S64 PolarHBondContact O-N 3.28Å; A61-D65 PolarHBondContact O-N 3.11Å; A61-E259 WeakPolarHBondContact CA-OE1 3.35Å; A61-E259 WeakPolarHBondContact CB-OE1 3.42Å; A61-E259 PolarHBondContact N-OE1 2.93Å
62C97.4Very high96.1Very high13 Ų1369.4 Ų69.49%0.08839%0.386CS..G310 helixtrans-55.9-26.7173.670.80000113.9P60 S64 D65 Y107 E259P60-C62 PolarHBondContact O-N 3.1Å; C62-S64 PolarHBondContact O-N 3.3Å; C62-D65 WeakPolarHBondContact O-CB 3.43Å; C62-D65 PolarHBondContact O-N 2.81Å; C62-Y107 HydrophobicContact CB-CE2 4.27Å; C62-Y107 WeakPolarHBondContact CB-OH 3.39Å; C62-E259 HydrophobicContact CB-CG 4.06Å; C62-E259 PolarHBondContact N-OE1 2.71Å
63L97.8Very high96.3Very high13 Ų1365.5 Ų65.57%0.06837%0.372CS..G310 helixtrans-72.3-16.9176.2-60.6-172.6000113.2P59 P60 A61 H71 F105 W106 Y107 A263 Y266 V267P59-L63 HydrophobicContact CB-CD1 4.07Å; P60-L63 WeakPolarHBondContact O-CB 3.27Å; P60-L63 PolarHBondContact O-N 2.96Å; A61-L63 PolarHBondContact O-N 3.49Å; A61-L63 VanDerWaalsContact O-N 3.14Å; L63-H71 PolarHBondContact O-CE1 3.1Å; L63-H71 PolarHBondContact O-NE2 3.19Å; L63-F105 HydrophobicContact CD2-CE2 3.83Å; L63-F105 HydrophobicContact CD2-CZ 3.69Å; L63-W106 HydrophobicContact CD2-CZ2 4.25Å; L63-Y107 HydrophobicContact CD2-CD2 3.82Å; L63-Y107 HydrophobicContact CD2-CE2 4.24Å; L63-Y107 HydrophobicContact CD2-CG 4.01Å; L63-A263 HydrophobicContact CD1-CB 4.37Å; L63-A263 HydrophobicContact CD2-CB 3.66Å; L63-A263 HydrophobicContact CG-CB 4.04Å; L63-Y266 HydrophobicContact CD1-CD1 3.97Å; L63-Y266 HydrophobicContact CD1-CE1 4.34Å; L63-V267 HydrophobicContact CD1-CG2 4.44Å
64S96.6Very high96.6Very high84 Ų8460.6 Ų60.659%0.58736%0.355SS*.G310 helixtrans-110.414.6177.7-60.80000112.6A61 C62 P66A61-S64 PolarHBondContact O-N 3.28Å; C62-S64 PolarHBondContact O-N 3.3Å; S64-P66 VanDerWaalsContact O-CD 3.27Å; S64-P66 WeakPolarHBondContact O-CD 3.11Å; S64-P66 VanDerWaalsContact O-N 3.16Å
65D97.4Very high96.9Very high45 Ų4565.6 Ų65.624%0.24137%0.366CS..  trans-63.9113179.3175.20.9000110.6A61 C62 S67 L68 R114A61-D65 PolarHBondContact O-N 3.11Å; C62-D65 WeakPolarHBondContact O-CB 3.43Å; C62-D65 PolarHBondContact O-N 2.81Å; D65-S67 PolarHBondContact O-N 3.47Å; D65-S67 VanDerWaalsContact O-N 3.09Å; D65-S67 WeakPolarHBondContact OD1-CB 3.32Å; D65-S67 PolarHBondContact OD1-N 3Å; D65-S67 PolarHBondContact OD1-OG 2.99Å; D65-S67 PolarHBondContact OD2-OG 3.49Å; D65-L68 HydrophobicContact CB-CD1 4Å; D65-L68 HydrophobicContact CB-CG 4Å; D65-L68 WeakPolarHBondContact O-CB 3.16Å; D65-L68 PolarHBondContact O-N 3.49Å; D65-R114 IonicContact OD2-CZ 2.98Å; D65-R114 IonicContact OD2-NH2 2.86Å; D65-R114 PolarHBondContact OD2-NH2 3.29Å
66P95.7Very high97.1Very high114 Ų11460.3 Ų60.374%0.7433%0.332SS*.G310 helixtrans-65.9-16.7-176.528.7-36000112.9S64 L68 G69S64-P66 VanDerWaalsContact O-CD 3.27Å; S64-P66 WeakPolarHBondContact O-CD 3.11Å; S64-P66 VanDerWaalsContact O-N 3.16Å; P66-L68 PolarHBondContact O-N 2.73Å; P66-G69 PolarHBondContact O-N 2.88Å
67S96.4Very high96.9Very high40 Ų4067.8 Ų67.828%0.2837%0.365SS..G310 helixtrans-67.5-22.8175.781.50000113D65 R114 K117D65-S67 PolarHBondContact O-N 3.47Å; D65-S67 VanDerWaalsContact O-N 3.09Å; D65-S67 WeakPolarHBondContact OD1-CB 3.32Å; D65-S67 PolarHBondContact OD1-N 3Å; D65-S67 PolarHBondContact OD1-OG 2.99Å; D65-S67 PolarHBondContact OD2-OG 3.49Å; S67-R114 PolarHBondContact OG-NE 2.95Å; S67-R114 PolarHBondContact OG-NH2 2.82Å; S67-K117 PolarHBondContact O-NZ 2.85Å
68L97.8Very high96.6Very high1 Ų167.1 Ų67.11%0.00537%0.366CS..G310 helixtrans-84.2-18.9-179.1-58.1-176.4000113.2D65 P66 V86 W106 Y107 R110 R114D65-L68 HydrophobicContact CB-CD1 4Å; D65-L68 HydrophobicContact CB-CG 4Å; D65-L68 WeakPolarHBondContact O-CB 3.16Å; D65-L68 PolarHBondContact O-N 3.49Å; P66-L68 PolarHBondContact O-N 2.73Å; L68-V86 WeakPolarHBondContact O-CG1 3.3Å; L68-W106 HydrophobicContact CB-CH2 4.44Å; L68-W106 HydrophobicContact CB-CZ3 4.17Å; L68-W106 HydrophobicContact CD1-CH2 3.9Å; L68-W106 HydrophobicContact CD1-CZ3 3.97Å; L68-Y107 HydrophobicContact CD1-CD2 4.07Å; L68-Y107 HydrophobicContact CD1-CE2 3.63Å; L68-R110 HydrophobicContact CD1-CB 4.13Å; L68-R110 HydrophobicContact CD2-CB 3.78Å; L68-R110 WeakPolarHBondContact CD2-O 3.41Å; L68-R114 HydrophobicContact CD2-CG 3.82Å; L68-R114 VanDerWaalsContact CD2-NE 3.26Å
69G97.9Very high96.5Very high18 Ų1862.5 Ų62.519%0.18635%0.351CS..  trans128.6-158.9177.600000112.7P66 A87P66-G69 PolarHBondContact O-N 2.88Å; G69-A87 CarbonylContact C-O 3.59Å; G69-A87 VanDerWaalsContact CA-O 3.3Å; G69-A87 WeakPolarHBondContact CA-O 3.46Å
70T98.4Very high96.5Very high93 Ų9360.9 Ų60.957%0.57135%0.346SS*.EExtended strand (participates in β ladder)trans-119.3131.7-178.5-50.10000110C72 A87T70-C72 PolarHBondContact O-N 3.13Å; T70-A87 PolarHBondContact N-O 3.39Å; T70-A87 PolarHBondContact O-N 2.92Å
71H98.7Very high96.6Very high65 Ų6560.9 Ų60.930%0.30134%0.344SS..EExtended strand (participates in β ladder)trans-64.9130.6171.5-66.4-97.8000110.3L63 H84 W106L63-H71 PolarHBondContact O-CE1 3.1Å; L63-H71 PolarHBondContact O-NE2 3.19Å; H71-H84 AromaticContact CE1-NE2 3.9Å; H71-H84 AromaticContact CG-NE2 3.7Å; H71-H84 AromaticContact ND1-CE1 3.52Å; H71-H84 AromaticContact ND1-NE2 2.89Å; H71-H84 PolarHBondContact ND1-NE2 2.93Å; H71-W106 AromaticContact CE1-CZ2 3.68Å
72C98.6Very high96.6Very high22 Ų2261.2 Ų61.215%0.14933%0.33CS..EExtended strand (participates in β ladder)trans-137.5159.2-177.3-69.50000109.8T70 H84 Y85T70-C72 PolarHBondContact O-N 3.13Å; C72-H84 PolarHBondContact O-CD2 3.36Å; C72-Y85 HydrophobicContact CB-CD1 4.13Å; C72-Y85 HydrophobicContact CB-CD2 3.82Å; C72-Y85 HydrophobicContact CB-CE1 3.62Å; C72-Y85 HydrophobicContact CB-CE2 3.31Å; C72-Y85 HydrophobicContact CB-CG 4.22Å; C72-Y85 WeakPolarHBondContact CB-OH 3.5Å; C72-Y85 PolarHBondContact N-O 3.21Å; C72-Y85 PolarHBondContact O-N 3.47Å
73Y98.6Very high96.7Very high91 Ų9160.7 Ų60.736%0.35733%0.326SS..EExtended strand (participates in β ladder)trans-133.8139.5178.4-59.4-88.5000110R82 F83 H84 E132Y73-R82 HydrophobicContact CD1-CG 4.14Å; Y73-F83 CarbonylContact C-O 3.57Å; Y73-F83 VanDerWaalsContact CA-O 3.25Å; Y73-F83 WeakPolarHBondContact CA-O 3.48Å; Y73-H84 HydrophobicContact CD1-CB 4.04Å; Y73-H84 HydrophobicContact CE1-CB 3.77Å; Y73-H84 AromaticContact CE1-CD2 3.66Å; Y73-H84 AromaticContact CZ-CD2 3.72Å; Y73-E132 HydrophobicContact CE1-CB 4.15Å; Y73-E132 VanDerWaalsContact OH-CD 3.31Å; Y73-E132 PolarHBondContact OH-OE2 3.15Å
74V98.1Very high96.7Very high16 Ų1660 Ų6010%0.09732%0.323CS..EExtended strand (participates in β ladder)trans-127133.2171.764.60000109I76 R82 F83 Y85 I154 S157V74-I76 HydrophobicContact CG1-CD1 4.44Å; V74-I76 HydrophobicContact CG2-CD1 4.39Å; V74-R82 CarbonylContact O-C 3.59Å; V74-R82 WeakPolarHBondContact O-CA 3.36Å; V74-F83 HydrophobicContact CG1-CB 3.94Å; V74-F83 PolarHBondContact N-O 2.9Å; V74-F83 PolarHBondContact O-N 2.84Å; V74-Y85 HydrophobicContact CB-CE1 4.08Å; V74-Y85 HydrophobicContact CG1-CD1 4.31Å; V74-Y85 HydrophobicContact CG1-CE1 4.05Å; V74-I154 HydrophobicContact CG1-CG1 4.31Å; V74-S157 VanDerWaalsContact CG2-CB 3.41Å
75R98Very high96.9Very high154 Ų15457.1 Ų57.158%0.58130%0.299SS*.EExtended strand (participates in β ladder)trans-102.1121.3173.9-173.4172-69.3-92.12.3108.7G80 L81R75-G80 PolarHBondContact NH1-O 2.9Å; R75-L81 WeakPolarHBondContact CA-O 3.47Å
76I96.8Very high96.9Very high2 Ų255 Ų551%0.0129%0.288CS..  trans-78.4129.4-179.9-57.8-53.4000109.2V74 S79 G80 L81 F83 D153 I154V74-I76 HydrophobicContact CG1-CD1 4.44Å; V74-I76 HydrophobicContact CG2-CD1 4.39Å; I76-S79 WeakPolarHBondContact CB-OG 3.34Å; I76-S79 WeakPolarHBondContact CG2-OG 3.38Å; I76-G80 WeakPolarHBondContact O-CA 3.45Å; I76-G80 PolarHBondContact O-N 2.71Å; I76-L81 PolarHBondContact N-O 2.9Å; I76-F83 HydrophobicContact CG1-CD2 3.69Å; I76-F83 HydrophobicContact CG1-CE2 3.76Å; I76-D153 HydrophobicContact CD1-CB 4.1Å; I76-D153 HydrophobicContact CG2-CB 3.61Å; I76-I154 HydrophobicContact CD1-CB 4.49Å; I76-I154 HydrophobicContact CD1-CG1 3.73Å; I76-I154 HydrophobicContact CG1-CG1 4.37Å
77K89.9Confident97.1Very high190 Ų19049.6 Ų49.683%0.82625%0.253SS*.THydrogen-bonded Turntrans-62.9-47.2-174.7-69.5177.3177.5169.60111.9
78D89.1Confident97.2Very high139 Ų13948 Ų4874%0.74324%0.242SC*.THydrogen-bonded Turntrans-76.4-45.6-171.2-68-7000112.3
79S93.3Very high97.2Very high50 Ų5049 Ų4935%0.3525%0.253SS..THydrogen-bonded Turntrans-85-18.5179.969.10000113.6I76 L81I76-S79 WeakPolarHBondContact CB-OG 3.34Å; I76-S79 WeakPolarHBondContact CG2-OG 3.38Å; S79-L81 PolarHBondContact O-N 2.97Å; S79-L81 VanDerWaalsContact O-N 3.16Å; S79-L81 PolarHBondContact OG-N 3.12Å
80G96.1Very high97.1Very high32 Ų3254.3 Ų54.333%0.3327%0.273SS..  trans71.6-5-173.700000114.5R75 I76R75-G80 PolarHBondContact NH1-O 2.9Å; I76-G80 WeakPolarHBondContact O-CA 3.45Å; I76-G80 PolarHBondContact O-N 2.71Å
81L98.1Very high96.9Very high23 Ų2359.9 Ų59.912%0.1228%0.283CS..  trans-72141.8-175.9-60-179.5000111.5R75 I76 S79 F83 R128 D134 P136R75-L81 WeakPolarHBondContact CA-O 3.47Å; I76-L81 PolarHBondContact N-O 2.9Å; S79-L81 PolarHBondContact O-N 2.97Å; S79-L81 VanDerWaalsContact O-N 3.16Å; S79-L81 PolarHBondContact OG-N 3.12Å; L81-F83 HydrophobicContact CB-CD2 4.32Å; L81-F83 HydrophobicContact CB-CE2 3.7Å; L81-F83 HydrophobicContact CB-CZ 4.37Å; L81-F83 HydrophobicContact CD1-CE2 4.35Å; L81-F83 HydrophobicContact CD1-CZ 4.29Å; L81-R128 HydrophobicContact CD1-CG 4.36Å; L81-D134 HydrophobicContact CB-CB 4.4Å; L81-D134 HydrophobicContact CD2-CB 4.07Å; L81-P136 HydrophobicContact CD1-CG 3.95Å; L81-P136 HydrophobicContact CD2-CG 3.65Å; L81-P136 HydrophobicContact CG-CG 4.48Å
82R98.6Very high96.7Very high81 Ų8160.4 Ų60.431%0.30631%0.306SS..EExtended strand (participates in β ladder)trans-94.6123.6170.3-171.9179.768.21325.6109.9Y73 V74 D134Y73-R82 HydrophobicContact CD1-CG 4.14Å; V74-R82 CarbonylContact O-C 3.59Å; V74-R82 WeakPolarHBondContact O-CA 3.36Å; R82-D134 WeakPolarHBondContact CB-OD2 3.23Å; R82-D134 PolarHBondContact N-OD2 3.33Å; R82-D134 PolarHBondContact O-N 2.88Å
83F98.8Very high96.6Very high1 Ų161.8 Ų61.80%0.00431%0.31CS..EExtended strand (participates in β ladder)trans-104.3133.3174.3-72.8-96.4000110.5Y73 V74 I76 L81 L125 R128 T133 D150 I154Y73-F83 CarbonylContact C-O 3.57Å; Y73-F83 VanDerWaalsContact CA-O 3.25Å; Y73-F83 WeakPolarHBondContact CA-O 3.48Å; V74-F83 HydrophobicContact CG1-CB 3.94Å; V74-F83 PolarHBondContact N-O 2.9Å; V74-F83 PolarHBondContact O-N 2.84Å; I76-F83 HydrophobicContact CG1-CD2 3.69Å; I76-F83 HydrophobicContact CG1-CE2 3.76Å; L81-F83 HydrophobicContact CB-CD2 4.32Å; L81-F83 HydrophobicContact CB-CE2 3.7Å; L81-F83 HydrophobicContact CB-CZ 4.37Å; L81-F83 HydrophobicContact CD1-CE2 4.35Å; L81-F83 HydrophobicContact CD1-CZ 4.29Å; F83-L125 HydrophobicContact CB-CD1 4.08Å; F83-L125 HydrophobicContact CD1-CD1 4.17Å; F83-R128 HydrophobicContact CE1-CB 4.03Å; F83-R128 HydrophobicContact CZ-CB 4.3Å; F83-T133 WeakPolarHBondContact CA-OG1 3.39Å; F83-T133 HydrophobicContact CB-CG2 4.42Å; F83-T133 HydrophobicContact CD1-CG2 3.35Å; F83-T133 HydrophobicContact CE1-CG2 3.61Å; F83-T133 HydrophobicContact CG-CG2 3.95Å; F83-T133 HydrophobicContact CZ-CG2 4.39Å; F83-D150 HydrophobicContact CE1-CB 4.18Å; F83-D150 HydrophobicContact CE2-CB 4.46Å; F83-D150 HydrophobicContact CZ-CB 3.78Å; F83-D150 WeakPolarHBondContact CZ-OD1 3.2Å; F83-D150 WeakPolarHBondContact CZ-OD2 3.33Å; F83-I154 HydrophobicContact CB-CD1 4.24Å; F83-I154 HydrophobicContact CD1-CD1 3.76Å; F83-I154 HydrophobicContact CD2-CD1 4.19Å; F83-I154 HydrophobicContact CD2-CG1 4.41Å; F83-I154 HydrophobicContact CE1-CD1 4.16Å; F83-I154 HydrophobicContact CG-CD1 3.78Å; F83-I154 HydrophobicContact CG-CG1 4.35Å
84H98.9Very high96.6Very high0 Ų060.8 Ų60.80%032%0.315CS..EExtended strand (participates in β ladder)trans-89.6140.9168.9171.2-107.3000110.3H71 C72 Y73 W106 D126 E132 T133H71-H84 AromaticContact CE1-NE2 3.9Å; H71-H84 AromaticContact CG-NE2 3.7Å; H71-H84 AromaticContact ND1-CE1 3.52Å; H71-H84 AromaticContact ND1-NE2 2.89Å; H71-H84 PolarHBondContact ND1-NE2 2.93Å; C72-H84 PolarHBondContact O-CD2 3.36Å; Y73-H84 HydrophobicContact CD1-CB 4.04Å; Y73-H84 HydrophobicContact CE1-CB 3.77Å; Y73-H84 AromaticContact CE1-CD2 3.66Å; Y73-H84 AromaticContact CZ-CD2 3.72Å; H84-W106 AromaticContact CE1-CD1 3.42Å; H84-W106 VanDerWaalsContact CE1-CD1 3.42Å; H84-W106 AromaticContact CE1-NE1 3.55Å; H84-W106 AromaticContact ND1-CD1 3.82Å; H84-D126 HydrophobicContact CB-CB 4.37Å; H84-D126 IonicContact CE1-OD2 3.3Å; H84-D126 IonicContact CG-OD2 2.71Å; H84-D126 IonicContact ND1-OD2 3.89Å; H84-D126 PolarHBondContact ND1-OD2 2.71Å; H84-D126 PolarHBondContact O-N 3.31Å; H84-E132 HydrophobicContact CB-CB 3.7Å; H84-T133 PolarHBondContact N-OG1 2.84Å
85Y98.9Very high96.6Very high22 Ų2260 Ų609%0.08631%0.31CS..EExtended strand (participates in β ladder)trans-150.3152.1169.263.7-85.4000110.7C72 V74 A87 V123 A124 L158C72-Y85 HydrophobicContact CB-CD1 4.13Å; C72-Y85 HydrophobicContact CB-CD2 3.82Å; C72-Y85 HydrophobicContact CB-CE1 3.62Å; C72-Y85 HydrophobicContact CB-CE2 3.31Å; C72-Y85 HydrophobicContact CB-CG 4.22Å; C72-Y85 WeakPolarHBondContact CB-OH 3.5Å; C72-Y85 PolarHBondContact N-O 3.21Å; C72-Y85 PolarHBondContact O-N 3.47Å; V74-Y85 HydrophobicContact CB-CE1 4.08Å; V74-Y85 HydrophobicContact CG1-CD1 4.31Å; V74-Y85 HydrophobicContact CG1-CE1 4.05Å; Y85-A87 HydrophobicContact CD2-CB 3.95Å; Y85-A87 HydrophobicContact CE2-CB 3.81Å; Y85-V123 HydrophobicContact CD2-CB 4.46Å; Y85-V123 HydrophobicContact CD2-CG1 3.55Å; Y85-V123 HydrophobicContact CD2-CG2 4.28Å; Y85-V123 HydrophobicContact CE2-CG1 4.27Å; Y85-V123 HydrophobicContact CE2-CG2 4.37Å; Y85-V123 HydrophobicContact CG-CG1 3.88Å; Y85-A124 CarbonylContact C-O 3.58Å; Y85-A124 VanDerWaalsContact CA-O 3.25Å; Y85-A124 WeakPolarHBondContact CA-O 3.36Å; Y85-A124 WeakPolarHBondContact CB-O 3.4Å; Y85-L158 HydrophobicContact CE1-CD2 4.13Å; Y85-L158 HydrophobicContact CE2-CD2 4.18Å; Y85-L158 WeakPolarHBondContact OH-CD2 3.37Å
86V98.9Very high96.7Very high1 Ų152.7 Ų52.71%0.00628%0.282CS..EExtended strand (participates in β ladder)trans-99.6131.3168.7175.80000108.9L68 W106 L113 A124L68-V86 WeakPolarHBondContact O-CG1 3.3Å; V86-W106 HydrophobicContact CB-CD2 3.95Å; V86-W106 HydrophobicContact CB-CE3 3.71Å; V86-W106 HydrophobicContact CB-CG 4.43Å; V86-W106 HydrophobicContact CB-CZ3 4.08Å; V86-W106 HydrophobicContact CG1-CE3 4.16Å; V86-W106 HydrophobicContact CG1-CZ3 4.04Å; V86-W106 HydrophobicContact CG2-CD2 3.36Å; V86-W106 VanDerWaalsContact CG2-CE2 3.49Å; V86-W106 HydrophobicContact CG2-CE3 3.56Å; V86-W106 HydrophobicContact CG2-CG 3.89Å; V86-W106 HydrophobicContact CG2-CH2 3.95Å; V86-W106 HydrophobicContact CG2-CZ2 3.8Å; V86-W106 HydrophobicContact CG2-CZ3 3.84Å; V86-L113 HydrophobicContact CB-CD1 4.47Å; V86-L113 HydrophobicContact CG1-CD1 4.13Å; V86-L113 HydrophobicContact CG1-CD2 4.5Å; V86-A124 PolarHBondContact N-O 2.92Å; V86-A124 PolarHBondContact O-N 2.88Å
87A98.6Very high96.8Very high1 Ų152.6 Ų52.61%0.00828%0.282CS..EExtended strand (participates in β ladder)trans-121.9129.4-179.100000113G69 T70 Y85 V122 V123G69-A87 CarbonylContact C-O 3.59Å; G69-A87 VanDerWaalsContact CA-O 3.3Å; G69-A87 WeakPolarHBondContact CA-O 3.46Å; T70-A87 PolarHBondContact N-O 3.39Å; T70-A87 PolarHBondContact O-N 2.92Å; Y85-A87 HydrophobicContact CD2-CB 3.95Å; Y85-A87 HydrophobicContact CE2-CB 3.81Å; A87-V122 CarbonylContact C-O 3.58Å; A87-V122 VanDerWaalsContact CA-O 3.25Å; A87-V122 WeakPolarHBondContact CA-O 3.49Å; A87-V123 HydrophobicContact CB-CG2 4.18Å
88A98.6Very high97.2Very high5 Ų543.6 Ų43.64%0.04124%0.242CC..EExtended strand (participates in β ladder)trans-120153.7175.700000110.7L113 K117 V122A88-L113 HydrophobicContact CB-CD2 4.09Å; A88-K117 HydrophobicContact CB-CB 3.78Å; A88-K117 HydrophobicContact CB-CD 4.26Å; A88-V122 PolarHBondContact N-O 3.37Å; A88-V122 PolarHBondContact O-N 3.29Å
89G97.7Very high97.7Very high23 Ų2337 Ų3724%0.23721%0.207CC..SBendtrans84.3161.5-178.600000113.2K117 R121G89-K117 WeakPolarHBondContact CA-O 3.25Å; G89-R121 WeakPolarHBondContact O-CD 3.45Å; G89-R121 PolarHBondContact O-NH1 3.08Å
90E96.5Very high97.9Very high130 Ų13034.6 Ų34.661%0.60719%0.19SC*.  trans-71148.8-172.8-67.5167.3169.300112.2K93E90-K93 HydrophobicContact CB-CD 4.25Å; E90-K93 HydrophobicContact CB-CG 4.47Å; E90-K93 WeakPolarHBondContact OE2-CE 3.22Å; E90-K93 IonicContact OE2-NZ 3.79Å; E90-K93 PolarHBondContact OE2-NZ 3.05Å; E90-K93 VanDerWaalsContact OE2-NZ 3.1Å
91R94.7Very high98Very high210 Ų21033 Ų3379%0.79218%0.175SC*.THydrogen-bonded Turntrans-65.3147.6170.4-65.1-175.4178.8-155.2-0.2109.7K93R91-K93 VanDerWaalsContact C-N 3.32Å
92G93.3Very high98Very high76 Ų7632.5 Ų32.578%0.78417%0.171SC*.THydrogen-bonded Turntrans90.4-16.8-178.800000114.5
93K97.5Very high98Very high51 Ų5128.8 Ų28.822%0.22216%0.158CC..SBendtrans-68.6156168-68.9-174.7-179172.90111.1E90 R91 S118 R121 Y160E90-K93 HydrophobicContact CB-CD 4.25Å; E90-K93 HydrophobicContact CB-CG 4.47Å; E90-K93 WeakPolarHBondContact OE2-CE 3.22Å; E90-K93 IonicContact OE2-NZ 3.79Å; E90-K93 PolarHBondContact OE2-NZ 3.05Å; E90-K93 VanDerWaalsContact OE2-NZ 3.1Å; R91-K93 VanDerWaalsContact C-N 3.32Å; K93-S118 PolarHBondContact NZ-O 2.95Å; K93-R121 HydrophobicContact CB-CB 4.41Å; K93-Y160 WeakPolarHBondContact O-CE1 3.42Å; K93-Y160 PolarHBondContact O-OH 3.1Å
94P98.3Very high97.9Very high70 Ų7028.7 Ų28.746%0.45516%0.157SC..PPolyproline II helixtrans-53.1141.5172.8-24.734.2000111.6Y120 R121P94-Y120 HydrophobicContact CB-CD1 3.98Å; P94-Y120 HydrophobicContact CB-CE1 4.11Å; P94-Y120 WeakPolarHBondContact O-CA 3.39Å; P94-Y120 WeakPolarHBondContact O-CD1 3.46Å; P94-R121 PolarHBondContact O-N 2.82Å
95L98.8Very high97.9Very high0 Ų028.8 Ų28.80%016%0.158CC..EExtended strand (participates in β ladder)trans-81.6132.3-178.5178.763.3000111.4R121 V123 L155 L158 Y160 C163 V164L95-R121 WeakPolarHBondContact CA-O 3.24Å; L95-R121 HydrophobicContact CD1-CG 4.46Å; L95-R121 WeakPolarHBondContact CD1-O 3.45Å; L95-V123 HydrophobicContact CD1-CB 3.97Å; L95-V123 HydrophobicContact CD1-CG2 3.56Å; L95-L155 HydrophobicContact CD2-CD1 3.29Å; L95-L158 HydrophobicContact CD2-CD1 4.42Å; L95-Y160 HydrophobicContact CB-CD1 3.51Å; L95-Y160 HydrophobicContact CB-CD2 4.12Å; L95-Y160 HydrophobicContact CB-CE1 3.63Å; L95-Y160 HydrophobicContact CB-CE2 4.23Å; L95-Y160 HydrophobicContact CB-CG 3.76Å; L95-Y160 HydrophobicContact CD1-CE2 4.45Å; L95-Y160 HydrophobicContact CD2-CD1 4.33Å; L95-Y160 HydrophobicContact CD2-CD2 3.72Å; L95-Y160 HydrophobicContact CD2-CE2 4.36Å; L95-Y160 HydrophobicContact CD2-CG 3.69Å; L95-Y160 HydrophobicContact CG-CD2 4.38Å; L95-Y160 HydrophobicContact CG-CG 4.34Å; L95-C163 HydrophobicContact CB-CB 4Å; L95-C163 HydrophobicContact CD2-CB 3.87Å; L95-C163 HydrophobicContact CG-CB 3.82Å; L95-C163 WeakPolarHBondContact O-CA 3.35Å; L95-C163 WeakPolarHBondContact O-CB 3.04Å; L95-V164 PolarHBondContact O-N 3.11Å
96M98.9Very high97.9Very high0 Ų028.1 Ų28.10%016%0.155CC..EExtended strand (participates in β ladder)trans-114.5112.9163179.8-179-69.300108.5L98 F116 Y120 R121 V122 V123 V164 I166 L354M96-L98 HydrophobicContact CG-CD2 3.72Å; M96-L98 HydrophobicContact SD-CD2 4.01Å; M96-F116 HydrophobicContact CE-CB 3.93Å; M96-F116 HydrophobicContact CE-CD1 3.69Å; M96-F116 HydrophobicContact CE-CD2 4.18Å; M96-F116 HydrophobicContact CE-CE1 4.28Å; M96-F116 HydrophobicContact CE-CG 3.66Å; M96-F116 HydrophobicContact SD-CB 3.73Å; M96-F116 HydrophobicContact SD-CD1 4.28Å; M96-F116 HydrophobicContact SD-CD2 3.69Å; M96-F116 HydrophobicContact SD-CE2 4.44Å; M96-F116 HydrophobicContact SD-CG 3.63Å; M96-Y120 HydrophobicContact CB-CD1 4.06Å; M96-Y120 HydrophobicContact CB-CG 4.11Å; M96-Y120 HydrophobicContact CE-CD1 4.27Å; M96-Y120 HydrophobicContact CE-CD2 3.79Å; M96-Y120 HydrophobicContact CE-CE1 4.43Å; M96-Y120 HydrophobicContact CE-CE2 3.98Å; M96-Y120 HydrophobicContact CE-CG 3.96Å; M96-R121 PolarHBondContact N-O 3.45Å; M96-V122 HydrophobicContact CG-CG1 4.49Å; M96-V122 CarbonylContact O-C 3.54Å; M96-V122 WeakPolarHBondContact O-CA 3.16Å; M96-V122 HydrophobicContact SD-CG1 4.37Å; M96-V123 PolarHBondContact O-N 3.07Å; M96-V164 CarbonylContact C-O 3.44Å; M96-V164 WeakPolarHBondContact CA-O 3.31Å; M96-V164 HydrophobicContact CB-CB 4.44Å; M96-V164 HydrophobicContact CE-CG1 4.34Å; M96-V164 HydrophobicContact CG-CB 4.4Å; M96-V164 HydrophobicContact CG-CG1 4.35Å; M96-I166 HydrophobicContact CE-CD1 4.33Å; M96-I166 HydrophobicContact CG-CD1 3.97Å; M96-I166 HydrophobicContact CG-CG1 4.29Å; M96-I166 HydrophobicContact SD-CD1 3.75Å; M96-L354 HydrophobicContact CE-CD1 3.78Å
97L98.9Very high97.9Very high0 Ų028.5 Ų28.50%016%0.156CC..EExtended strand (participates in β ladder)trans-103124.5-178.1-177.561.6000110L99 V123 L125 I151 C163 V164 L165 I166L97-L99 HydrophobicContact CD1-CD2 4.44Å; L97-L99 HydrophobicContact CD2-CD2 4.31Å; L97-L99 HydrophobicContact CG-CD2 4.03Å; L97-V123 HydrophobicContact CD1-CB 4.02Å; L97-V123 HydrophobicContact CD1-CG1 3.67Å; L97-L125 HydrophobicContact CD1-CB 4.35Å; L97-I151 HydrophobicContact CD2-CG2 3.86Å; L97-C163 HydrophobicContact CB-CB 4.42Å; L97-V164 PolarHBondContact N-O 2.87Å; L97-L165 HydrophobicContact CB-CD1 4.06Å; L97-L165 HydrophobicContact CD2-CD1 3.97Å; L97-L165 HydrophobicContact CG-CD1 4.08Å; L97-I166 PolarHBondContact O-N 3.3Å
98L98.9Very high97.9Very high0 Ų028.4 Ų28.40%016%0.156CC..EExtended strand (participates in β ladder)trans-112.1123.1-175.7-44.7-179.6000110.3M96 W109 Q112 V122 V123 A124 L125 I166M96-L98 HydrophobicContact CG-CD2 3.72Å; M96-L98 HydrophobicContact SD-CD2 4.01Å; L98-W109 HydrophobicContact CB-CB 4.42Å; L98-W109 HydrophobicContact CB-CD2 3.85Å; L98-W109 HydrophobicContact CB-CG 3.77Å; L98-W109 HydrophobicContact CD1-CB 3.62Å; L98-W109 HydrophobicContact CD1-CD2 4.06Å; L98-W109 HydrophobicContact CD1-CE3 4.26Å; L98-W109 HydrophobicContact CD1-CG 3.8Å; L98-W109 HydrophobicContact CG-CD2 4.46Å; L98-W109 HydrophobicContact CG-CG 4.41Å; L98-Q112 HydrophobicContact CD1-CB 4.03Å; L98-V122 HydrophobicContact CD1-CG1 3.57Å; L98-V122 HydrophobicContact CG-CG1 4Å; L98-V123 PolarHBondContact N-O 3.37Å; L98-A124 HydrophobicContact CB-CB 4.39Å; L98-A124 HydrophobicContact CD1-CB 4.37Å; L98-L125 PolarHBondContact O-N 2.9Å; L98-L125 VanDerWaalsContact O-N 3.12Å; L98-I166 CarbonylContact C-O 3.57Å; L98-I166 WeakPolarHBondContact CA-O 3.46Å; L98-I166 HydrophobicContact CD2-CB 3.61Å; L98-I166 HydrophobicContact CD2-CD1 3.63Å; L98-I166 HydrophobicContact CD2-CG1 3.73Å; L98-I166 HydrophobicContact CD2-CG2 4.32Å
99L98.9Very high97.9Very high0 Ų028.2 Ų28.20%015%0.154CC..EExtended strand (participates in β ladder)trans-114.5113.1-179-50.6-175.3000109.6L97 W109 L125 L127 I151 L165 I166 G167 H168 I174 A175L97-L99 HydrophobicContact CD1-CD2 4.44Å; L97-L99 HydrophobicContact CD2-CD2 4.31Å; L97-L99 HydrophobicContact CG-CD2 4.03Å; L99-W109 WeakPolarHBondContact O-CZ2 3.38Å; L99-L125 HydrophobicContact CD2-CB 4.22Å; L99-L125 HydrophobicContact CD2-CD2 3.85Å; L99-L127 HydrophobicContact CB-CD2 4.4Å; L99-L127 HydrophobicContact CD2-CD2 4.11Å; L99-I151 HydrophobicContact CD1-CD1 4.1Å; L99-I151 HydrophobicContact CD1-CG1 4.13Å; L99-I151 HydrophobicContact CD2-CD1 3.69Å; L99-L165 HydrophobicContact CD1-CD1 3.94Å; L99-L165 HydrophobicContact CG-CD1 4.12Å; L99-I166 PolarHBondContact N-O 2.92Å; L99-G167 WeakPolarHBondContact O-CA 3.27Å; L99-H168 PolarHBondContact O-N 3.05Å; L99-I174 HydrophobicContact CD1-CB 4.3Å; L99-I174 HydrophobicContact CD1-CG2 3.93Å; L99-A175 HydrophobicContact CD1-CB 4.44Å
100H98.8Very high98Very high0 Ų027.3 Ų27.30%014%0.143CC..  trans-77175.9177.770.978.7000112.3E104 F105 L125 L127 Y130 H168 G171H100-E104 HydrophobicContact CB-CB 4.06Å; H100-E104 PolarHBondContact CE1-O 3.24Å; H100-E104 VanDerWaalsContact CE1-O 3.3Å; H100-E104 PolarHBondContact ND1-O 2.93Å; H100-F105 VanDerWaalsContact CD2-C 3.49Å; H100-F105 VanDerWaalsContact CD2-CA 3.45Å; H100-F105 WeakPolarHBondContact CD2-CA 3.28Å; H100-L125 PolarHBondContact CD2-O 2.69Å; H100-L127 PolarHBondContact NE2-N 3.27Å; H100-L127 WeakPolarHBondContact O-CD1 3.45Å; H100-Y130 AromaticContact CE1-CD1 3.45Å; H100-Y130 VanDerWaalsContact CE1-CD1 3.45Å; H100-Y130 WeakPolarHBondContact CE1-CD1 3.45Å; H100-Y130 AromaticContact CE1-CD2 3.74Å; H100-Y130 AromaticContact CE1-CE1 3.77Å; H100-Y130 AromaticContact CE1-CG 3.41Å; H100-Y130 VanDerWaalsContact CE1-CG 3.41Å; H100-Y130 AromaticContact NE2-CG 3.96Å; H100-H168 CarbonylContact C-O 3.45Å; H100-G171 VanDerWaalsContact O-CA 3.25Å; H100-G171 WeakPolarHBondContact O-CA 3.31Å; H100-G171 PolarHBondContact O-N 2.9Å
101G98Very high98Very high0 Ų023.9 Ų23.90%013%0.125CC..  trans-116.7-154.8172.900000114.7E104 H168 D169G101-E104 WeakPolarHBondContact O-CA 3.41Å; G101-E104 WeakPolarHBondContact O-CB 3.4Å; G101-E104 PolarHBondContact O-N 2.93Å; G101-H168 PolarHBondContact N-O 3.42Å; G101-D169 VanDerWaalsContact CA-OD1 3.3Å; G101-D169 WeakPolarHBondContact CA-OD1 3.17Å
102F97.9Very high98.2Very high12 Ų1213.9 Ų13.95%0.0539%0.088CC..THydrogen-bonded Turntrans-104141.5178.4177.6-90.7000111.7Y130 D169 F220 F230 P277 I278 Y281F102-Y130 WeakPolarHBondContact CB-OH 3.11Å; F102-Y130 HydrophobicContact CD2-CE1 4.42Å; F102-D169 PolarHBondContact N-OD1 2.97Å; F102-F220 HydrophobicContact CD1-CE2 4.23Å; F102-F220 AromaticContact CE1-CE2 3.62Å; F102-F220 HydrophobicContact CE1-CE2 3.62Å; F102-F220 AromaticContact CE1-CZ 3.7Å; F102-F220 HydrophobicContact CE1-CZ 3.7Å; F102-F220 AromaticContact CZ-CE2 3.88Å; F102-F220 HydrophobicContact CZ-CE2 3.88Å; F102-F220 AromaticContact CZ-CZ 3.89Å; F102-F220 HydrophobicContact CZ-CZ 3.89Å; F102-F230 HydrophobicContact CE1-CE1 4.38Å; F102-F230 AromaticContact CE1-CZ 3.85Å; F102-F230 HydrophobicContact CE1-CZ 3.85Å; F102-F230 HydrophobicContact CZ-CE1 4.06Å; F102-F230 HydrophobicContact CZ-CE2 4.29Å; F102-F230 AromaticContact CZ-CZ 3.71Å; F102-F230 HydrophobicContact CZ-CZ 3.71Å; F102-P277 HydrophobicContact CD2-CB 3.69Å; F102-P277 HydrophobicContact CE2-CB 3.81Å; F102-I278 HydrophobicContact CE2-CG1 4.18Å; F102-I278 HydrophobicContact CZ-CG1 4.38Å; F102-Y281 HydrophobicContact CB-CE2 3.9Å; F102-Y281 WeakPolarHBondContact CB-OH 3.49Å; F102-Y281 AromaticContact CD1-CE2 3.9Å; F102-Y281 HydrophobicContact CD1-CE2 3.9Å; F102-Y281 AromaticContact CD1-CZ 3.94Å; F102-Y281 VanDerWaalsContact CD1-OH 3.23Å; F102-Y281 WeakPolarHBondContact CD1-OH 3.45Å; F102-Y281 AromaticContact CD2-CE2 3.93Å; F102-Y281 HydrophobicContact CD2-CE2 3.93Å; F102-Y281 HydrophobicContact CE1-CE2 4.44Å; F102-Y281 HydrophobicContact CE2-CE2 4.46Å; F102-Y281 AromaticContact CG-CE2 3.63Å; F102-Y281 HydrophobicContact CG-CE2 3.63Å; F102-Y281 AromaticContact CG-CZ 3.96Å; F102-Y281 WeakPolarHBondContact CG-OH 3.42Å
103P97.4Very high98.5Very high2 Ų210.3 Ų10.31%0.0135%0.05CC..THydrogen-bonded Turncis-92.773.1-12.735.2-29.4000109.6L238 L241 F242 F268P103-L238 HydrophobicContact CB-CD1 3.71Å; P103-L238 HydrophobicContact CG-CD1 3.31Å; P103-L241 HydrophobicContact CG-CD1 3.97Å; P103-F242 HydrophobicContact CG-CE2 4.23Å; P103-F242 HydrophobicContact CG-CZ 4.1Å; P103-F242 WeakPolarHBondContact O-CZ 3.45Å; P103-F268 VanDerWaalsContact C-CE2 3.43Å; P103-F268 HydrophobicContact CB-CE1 4.08Å; P103-F268 HydrophobicContact CB-CE2 3.98Å; P103-F268 HydrophobicContact CB-CZ 3.72Å; P103-F268 WeakPolarHBondContact O-CE2 3.05Å; P103-F268 WeakPolarHBondContact O-CZ 3.15Å
104E98.4Very high98.5Very high0 Ų012.8 Ų12.80%06%0.058CC..  trans-112.1-177.9177.4-58.9-172.8130.400111.4H100 G101 S108 Y130 H168 F242 Y264 F268 W337 Q339 Q340H100-E104 HydrophobicContact CB-CB 4.06Å; H100-E104 PolarHBondContact CE1-O 3.24Å; H100-E104 VanDerWaalsContact CE1-O 3.3Å; H100-E104 PolarHBondContact ND1-O 2.93Å; G101-E104 WeakPolarHBondContact O-CA 3.41Å; G101-E104 WeakPolarHBondContact O-CB 3.4Å; G101-E104 PolarHBondContact O-N 2.93Å; E104-S108 WeakPolarHBondContact OE1-CB 3.34Å; E104-S108 WeakPolarHBondContact OE2-CB 3.13Å; E104-S108 PolarHBondContact OE2-OG 2.84Å; E104-Y130 WeakPolarHBondContact O-CD1 3.41Å; E104-Y130 WeakPolarHBondContact O-CE1 3.38Å; E104-H168 IonicContact OE2-CE1 3.61Å; E104-H168 IonicContact OE2-ND1 2.71Å; E104-H168 PolarHBondContact OE2-ND1 2.86Å; E104-H168 VanDerWaalsContact OE2-ND1 3.15Å; E104-F242 HydrophobicContact CG-CE1 4.41Å; E104-F242 HydrophobicContact CG-CZ 4.36Å; E104-Y264 HydrophobicContact CB-CE1 4.43Å; E104-F268 WeakPolarHBondContact O-CZ 3.32Å; E104-W337 HydrophobicContact CG-CE3 4.08Å; E104-W337 HydrophobicContact CG-CZ3 3.72Å; E104-Q339 PolarHBondContact OE1-NE2 3.16Å; E104-Q339 PolarHBondContact OE2-NE2 2.98Å; E104-Q340 PolarHBondContact OE1-NE2 2.82Å
105F98.8Very high98.5Very high2 Ų213 Ų131%0.0095%0.053CC..  trans-154.2-174.7170.967.8-75.2000107.3L63 H100 Y107 S108 D126 Y264 V267L63-F105 HydrophobicContact CD2-CE2 3.83Å; L63-F105 HydrophobicContact CD2-CZ 3.69Å; H100-F105 VanDerWaalsContact CD2-C 3.49Å; H100-F105 VanDerWaalsContact CD2-CA 3.45Å; H100-F105 WeakPolarHBondContact CD2-CA 3.28Å; F105-Y107 HydrophobicContact CE2-CG 4.31Å; F105-Y107 HydrophobicContact CZ-CD1 4.32Å; F105-Y107 AromaticContact CZ-CG 3.97Å; F105-Y107 HydrophobicContact CZ-CG 3.97Å; F105-Y107 PolarHBondContact O-N 3.28Å; F105-S108 PolarHBondContact O-N 3.2Å; F105-S108 PolarHBondContact O-OG 2.82Å; F105-D126 WeakPolarHBondContact CB-OD1 3.34Å; F105-Y264 AromaticContact CD1-CD1 3.84Å; F105-Y264 HydrophobicContact CD1-CD1 3.84Å; F105-Y264 AromaticContact CD1-CE1 3.89Å; F105-Y264 HydrophobicContact CD1-CE1 3.89Å; F105-Y264 AromaticContact CE1-CD1 3.56Å; F105-Y264 HydrophobicContact CE1-CD1 3.56Å; F105-Y264 AromaticContact CE1-CE1 3.72Å; F105-Y264 HydrophobicContact CE1-CE1 3.72Å; F105-Y264 HydrophobicContact CE1-CG 4.19Å; F105-V267 HydrophobicContact CD1-CB 4.39Å; F105-V267 HydrophobicContact CD1-CG1 4.32Å; F105-V267 HydrophobicContact CD1-CG2 4.28Å; F105-V267 HydrophobicContact CD2-CG2 4.22Å; F105-V267 HydrophobicContact CE1-CB 4.3Å; F105-V267 HydrophobicContact CE1-CG2 3.94Å; F105-V267 HydrophobicContact CE2-CG2 3.86Å; F105-V267 HydrophobicContact CG-CG1 4.36Å; F105-V267 HydrophobicContact CG-CG2 4.43Å; F105-V267 HydrophobicContact CZ-CG2 3.71Å
106W98.8Very high98.5Very high7 Ų713 Ų133%0.0275%0.053CC..G310 helixtrans-45.4-32.1-174.873.4-96.8000114.3L63 L68 H71 H84 V86 S108 W109 L113 A124 D126L63-W106 HydrophobicContact CD2-CZ2 4.25Å; L68-W106 HydrophobicContact CB-CH2 4.44Å; L68-W106 HydrophobicContact CB-CZ3 4.17Å; L68-W106 HydrophobicContact CD1-CH2 3.9Å; L68-W106 HydrophobicContact CD1-CZ3 3.97Å; H71-W106 AromaticContact CE1-CZ2 3.68Å; H84-W106 AromaticContact CE1-CD1 3.42Å; H84-W106 VanDerWaalsContact CE1-CD1 3.42Å; H84-W106 AromaticContact CE1-NE1 3.55Å; H84-W106 AromaticContact ND1-CD1 3.82Å; V86-W106 HydrophobicContact CB-CD2 3.95Å; V86-W106 HydrophobicContact CB-CE3 3.71Å; V86-W106 HydrophobicContact CB-CG 4.43Å; V86-W106 HydrophobicContact CB-CZ3 4.08Å; V86-W106 HydrophobicContact CG1-CE3 4.16Å; V86-W106 HydrophobicContact CG1-CZ3 4.04Å; V86-W106 HydrophobicContact CG2-CD2 3.36Å; V86-W106 VanDerWaalsContact CG2-CE2 3.49Å; V86-W106 HydrophobicContact CG2-CE3 3.56Å; V86-W106 HydrophobicContact CG2-CG 3.89Å; V86-W106 HydrophobicContact CG2-CH2 3.95Å; V86-W106 HydrophobicContact CG2-CZ2 3.8Å; V86-W106 HydrophobicContact CG2-CZ3 3.84Å; W106-S108 PolarHBondContact O-N 3.1Å; W106-W109 WeakPolarHBondContact O-CB 3.39Å; W106-W109 PolarHBondContact O-N 3.49Å; W106-L113 HydrophobicContact CE3-CD1 3.73Å; W106-L113 HydrophobicContact CZ3-CD1 3.84Å; W106-A124 HydrophobicContact CB-CB 3.9Å; W106-D126 WeakPolarHBondContact CB-OD1 3.42Å; W106-D126 VanDerWaalsContact CD1-OD1 3.22Å; W106-D126 PolarHBondContact N-OD1 2.83Å
107Y98.8Very high98.5Very high9 Ų916.7 Ų16.74%0.0357%0.07CC..G310 helixtrans-65.2-19-176.7-167.8-106.8000114.5C62 L63 L68 F105 W109 R110 D260 A263 Y264C62-Y107 HydrophobicContact CB-CE2 4.27Å; C62-Y107 WeakPolarHBondContact CB-OH 3.39Å; L63-Y107 HydrophobicContact CD2-CD2 3.82Å; L63-Y107 HydrophobicContact CD2-CE2 4.24Å; L63-Y107 HydrophobicContact CD2-CG 4.01Å; L68-Y107 HydrophobicContact CD1-CD2 4.07Å; L68-Y107 HydrophobicContact CD1-CE2 3.63Å; F105-Y107 HydrophobicContact CE2-CG 4.31Å; F105-Y107 HydrophobicContact CZ-CD1 4.32Å; F105-Y107 AromaticContact CZ-CG 3.97Å; F105-Y107 HydrophobicContact CZ-CG 3.97Å; F105-Y107 PolarHBondContact O-N 3.28Å; Y107-W109 PolarHBondContact O-N 3.28Å; Y107-R110 HydrophobicContact CD2-CB 4.4Å; Y107-R110 HydrophobicContact CE2-CB 4.32Å; Y107-R110 VanDerWaalsContact CZ-CD 3.42Å; Y107-R110 WeakPolarHBondContact O-CB 3.17Å; Y107-R110 WeakPolarHBondContact O-CG 3.48Å; Y107-R110 PolarHBondContact O-N 3.46Å; Y107-R110 VanDerWaalsContact O-N 3.17Å; Y107-R110 PolarHBondContact O-NH1 2.94Å; Y107-D260 HydrophobicContact CE1-CB 4.3Å; Y107-D260 WeakPolarHBondContact CE1-OD1 3.26Å; Y107-D260 PolarHBondContact OH-OD1 2.76Å; Y107-A263 HydrophobicContact CD1-CB 4.44Å; Y107-A263 HydrophobicContact CE1-CB 4.36Å; Y107-Y264 HydrophobicContact CD1-CE2 4.22Å
108S98.6Very high98.4Very high0 Ų020 Ų200%09%0.092CC..G310 helixtrans-63.3-19.8171.464.60000112.9E104 F105 W106 Y264 Q339 Q340E104-S108 WeakPolarHBondContact OE1-CB 3.34Å; E104-S108 WeakPolarHBondContact OE2-CB 3.13Å; E104-S108 PolarHBondContact OE2-OG 2.84Å; F105-S108 PolarHBondContact O-N 3.2Å; F105-S108 PolarHBondContact O-OG 2.82Å; W106-S108 PolarHBondContact O-N 3.1Å; S108-Y264 WeakPolarHBondContact CA-OH 3.3Å; S108-Y264 PolarHBondContact N-OH 3.38Å; S108-Q339 WeakPolarHBondContact O-CG 3.49Å; S108-Q340 WeakPolarHBondContact O-CG 3.29Å
109W98.8Very high98.4Very high0 Ų025.6 Ų25.60%012%0.118CC..G310 helixtrans-94.411.9177.3-61.4109.9000114.5L98 L99 W106 Y107 Y111 Q112 L113 A124 I166 H168 I192 Q339L98-W109 HydrophobicContact CB-CB 4.42Å; L98-W109 HydrophobicContact CB-CD2 3.85Å; L98-W109 HydrophobicContact CB-CG 3.77Å; L98-W109 HydrophobicContact CD1-CB 3.62Å; L98-W109 HydrophobicContact CD1-CD2 4.06Å; L98-W109 HydrophobicContact CD1-CE3 4.26Å; L98-W109 HydrophobicContact CD1-CG 3.8Å; L98-W109 HydrophobicContact CG-CD2 4.46Å; L98-W109 HydrophobicContact CG-CG 4.41Å; L99-W109 WeakPolarHBondContact O-CZ2 3.38Å; W106-W109 WeakPolarHBondContact O-CB 3.39Å; W106-W109 PolarHBondContact O-N 3.49Å; Y107-W109 PolarHBondContact O-N 3.28Å; W109-Y111 PolarHBondContact O-N 2.86Å; W109-Y111 VanDerWaalsContact O-N 3.09Å; W109-Q112 HydrophobicContact CE3-CB 4.17Å; W109-Q112 HydrophobicContact CE3-CG 3.87Å; W109-Q112 HydrophobicContact CZ3-CG 4.27Å; W109-Q112 PolarHBondContact O-N 3Å; W109-L113 PolarHBondContact O-N 3.17Å; W109-A124 HydrophobicContact CB-CB 4.14Å; W109-I166 HydrophobicContact CH2-CG2 3.7Å; W109-I166 HydrophobicContact CZ2-CG2 4.47Å; W109-I166 HydrophobicContact CZ3-CG2 3.99Å; W109-H168 HydrophobicContact CH2-CB 3.93Å; W109-H168 HydrophobicContact CZ2-CB 3.72Å; W109-I192 HydrophobicContact CH2-CD1 3.79Å; W109-I192 HydrophobicContact CZ3-CD1 3.85Å; W109-Q339 HydrophobicContact CD2-CG 4.49Å; W109-Q339 HydrophobicContact CE3-CB 3.9Å; W109-Q339 HydrophobicContact CE3-CG 3.99Å; W109-Q339 HydrophobicContact CH2-CB 4.29Å; W109-Q339 HydrophobicContact CH2-CG 4.29Å; W109-Q339 HydrophobicContact CZ3-CB 3.57Å; W109-Q339 HydrophobicContact CZ3-CG 3.88Å
110R98.4Very high98.4Very high4 Ų427.3 Ų27.32%0.01513%0.125CC..Hα-helixtrans-53-33.9-175.764.9-170.3173.1-76.8-2.8114.3L68 Y107 R114 D260 Y264 Q340L68-R110 HydrophobicContact CD1-CB 4.13Å; L68-R110 HydrophobicContact CD2-CB 3.78Å; L68-R110 WeakPolarHBondContact CD2-O 3.41Å; Y107-R110 HydrophobicContact CD2-CB 4.4Å; Y107-R110 HydrophobicContact CE2-CB 4.32Å; Y107-R110 VanDerWaalsContact CZ-CD 3.42Å; Y107-R110 WeakPolarHBondContact O-CB 3.17Å; Y107-R110 WeakPolarHBondContact O-CG 3.48Å; Y107-R110 PolarHBondContact O-N 3.46Å; Y107-R110 VanDerWaalsContact O-N 3.17Å; Y107-R110 PolarHBondContact O-NH1 2.94Å; R110-R114 WeakPolarHBondContact O-CG 3.39Å; R110-R114 PolarHBondContact O-N 3.41Å; R110-D260 IonicContact NE-OD1 3.11Å; R110-Y264 PolarHBondContact NH1-OH 3.22Å; R110-Q340 VanDerWaalsContact CZ-OE1 3.3Å
111Y98.2Very high98.4Very high59 Ų5928.7 Ų28.723%0.23113%0.131CC..Hα-helixtrans-73.9-41.2176.6-59.5-75.4000111.8W109 R114 E115 P343W109-Y111 PolarHBondContact O-N 2.86Å; W109-Y111 VanDerWaalsContact O-N 3.09Å; Y111-R114 PolarHBondContact O-N 2.96Å; Y111-E115 WeakPolarHBondContact O-CB 3.45Å; Y111-E115 PolarHBondContact O-N 3.14Å; Y111-P343 HydrophobicContact CD1-CB 4.03Å; Y111-P343 HydrophobicContact CD1-CG 4.1Å; Y111-P343 HydrophobicContact CD2-CB 3.79Å; Y111-P343 HydrophobicContact CD2-CG 4.12Å; Y111-P343 HydrophobicContact CE1-CG 4.32Å; Y111-P343 HydrophobicContact CE2-CB 4.48Å; Y111-P343 HydrophobicContact CE2-CG 4.33Å; Y111-P343 HydrophobicContact CG-CB 3.54Å; Y111-P343 HydrophobicContact CG-CG 4.01Å
112Q98.8Very high98.4Very high0 Ų028.7 Ų28.70%013%0.131CC..Hα-helixtrans-72.3-36.2-179.7-68.467.238.700111.7L98 W109 R114 E115 F116 Q339 N347L98-Q112 HydrophobicContact CD1-CB 4.03Å; W109-Q112 HydrophobicContact CE3-CB 4.17Å; W109-Q112 HydrophobicContact CE3-CG 3.87Å; W109-Q112 HydrophobicContact CZ3-CG 4.27Å; W109-Q112 PolarHBondContact O-N 3Å; Q112-R114 VanDerWaalsContact C-N 3.29Å; Q112-R114 PolarHBondContact O-N 2.94Å; Q112-E115 PolarHBondContact O-N 3.34Å; Q112-F116 HydrophobicContact CB-CD2 4.02Å; Q112-F116 HydrophobicContact CB-CE2 4.09Å; Q112-F116 HydrophobicContact CG-CD2 4.49Å; Q112-F116 HydrophobicContact CG-CE2 4.05Å; Q112-F116 VanDerWaalsContact O-CD2 3.27Å; Q112-F116 WeakPolarHBondContact O-CD2 3.25Å; Q112-F116 PolarHBondContact O-N 3.22Å; Q112-Q339 PolarHBondContact NE2-O 3.47Å; Q112-Q339 VanDerWaalsContact NE2-O 3.09Å; Q112-N347 WeakPolarHBondContact CG-OD1 3.34Å; Q112-N347 PolarHBondContact NE2-OD1 2.78Å
113L98.7Very high98.4Very high0 Ų028.2 Ų28.20%013%0.129CC..Hα-helixtrans-56.4-43.1171.5-81.2166.6000111.8V86 A88 W106 W109 K117 V122 A124V86-L113 HydrophobicContact CB-CD1 4.47Å; V86-L113 HydrophobicContact CG1-CD1 4.13Å; V86-L113 HydrophobicContact CG1-CD2 4.5Å; A88-L113 HydrophobicContact CB-CD2 4.09Å; W106-L113 HydrophobicContact CE3-CD1 3.73Å; W106-L113 HydrophobicContact CZ3-CD1 3.84Å; W109-L113 PolarHBondContact O-N 3.17Å; L113-K117 WeakPolarHBondContact O-CB 3.34Å; L113-V122 HydrophobicContact CD2-CB 4.24Å; L113-V122 HydrophobicContact CD2-CG1 3.91Å; L113-A124 HydrophobicContact CD1-CB 3.87Å; L113-A124 HydrophobicContact CD2-CB 3.96Å; L113-A124 HydrophobicContact CG-CB 4.06Å
114R98.2Very high98.5Very high103 Ų10328.1 Ų28.139%0.38913%0.128SC..Hα-helixtrans-70.8-40.3177.8-71.8177.4176.9157.26112.4D65 S67 L68 R110 Y111 Q112 K117D65-R114 IonicContact OD2-CZ 2.98Å; D65-R114 IonicContact OD2-NH2 2.86Å; D65-R114 PolarHBondContact OD2-NH2 3.29Å; S67-R114 PolarHBondContact OG-NE 2.95Å; S67-R114 PolarHBondContact OG-NH2 2.82Å; L68-R114 HydrophobicContact CD2-CG 3.82Å; L68-R114 VanDerWaalsContact CD2-NE 3.26Å; R110-R114 WeakPolarHBondContact O-CG 3.39Å; R110-R114 PolarHBondContact O-N 3.41Å; Y111-R114 PolarHBondContact O-N 2.96Å; Q112-R114 VanDerWaalsContact C-N 3.29Å; Q112-R114 PolarHBondContact O-N 2.94Å; R114-K117 WeakPolarHBondContact O-CG 3.18Å
115E98.5Very high98.5Very high75 Ų7528.1 Ų28.135%0.3513%0.128SC..Hα-helixtrans-70.2-50.3-173.5-179.465.6-159.300113Y111 Q112 N347 W351Y111-E115 WeakPolarHBondContact O-CB 3.45Å; Y111-E115 PolarHBondContact O-N 3.14Å; Q112-E115 PolarHBondContact O-N 3.34Å; E115-N347 WeakPolarHBondContact CB-ND2 3.36Å; E115-N347 HydrophobicContact CG-CB 3.92Å; E115-W351 PolarHBondContact OE1-NE1 2.86Å
116F98.6Very high98.5Very high0 Ų028.1 Ų28.10%013%0.128CC..Hα-helixtrans-91.1-5.9-166.1-64.4-72.6000114.1M96 Q112 S118 E119 Y120 V122 N347 I350 W351 L354M96-F116 HydrophobicContact CE-CB 3.93Å; M96-F116 HydrophobicContact CE-CD1 3.69Å; M96-F116 HydrophobicContact CE-CD2 4.18Å; M96-F116 HydrophobicContact CE-CE1 4.28Å; M96-F116 HydrophobicContact CE-CG 3.66Å; M96-F116 HydrophobicContact SD-CB 3.73Å; M96-F116 HydrophobicContact SD-CD1 4.28Å; M96-F116 HydrophobicContact SD-CD2 3.69Å; M96-F116 HydrophobicContact SD-CE2 4.44Å; M96-F116 HydrophobicContact SD-CG 3.63Å; Q112-F116 HydrophobicContact CB-CD2 4.02Å; Q112-F116 HydrophobicContact CB-CE2 4.09Å; Q112-F116 HydrophobicContact CG-CD2 4.49Å; Q112-F116 HydrophobicContact CG-CE2 4.05Å; Q112-F116 VanDerWaalsContact O-CD2 3.27Å; Q112-F116 WeakPolarHBondContact O-CD2 3.25Å; Q112-F116 PolarHBondContact O-N 3.22Å; F116-S118 PolarHBondContact O-N 2.86Å; F116-S118 VanDerWaalsContact O-N 3.14Å; F116-E119 PolarHBondContact O-N 2.81Å; F116-Y120 HydrophobicContact CB-CD2 4.26Å; F116-Y120 PolarHBondContact O-N 3.33Å; F116-V122 HydrophobicContact CB-CG2 3.58Å; F116-N347 HydrophobicContact CZ-CB 4.34Å; F116-I350 HydrophobicContact CE1-CB 4.32Å; F116-I350 HydrophobicContact CE1-CG2 3.69Å; F116-I350 HydrophobicContact CE2-CD1 4.27Å; F116-I350 HydrophobicContact CE2-CG2 4.19Å; F116-I350 HydrophobicContact CZ-CB 3.73Å; F116-I350 HydrophobicContact CZ-CD1 4.23Å; F116-I350 HydrophobicContact CZ-CG2 3.41Å; F116-I350 VanDerWaalsContact CZ-CG2 3.41Å; F116-W351 HydrophobicContact CD1-CD2 4.07Å; F116-W351 AromaticContact CD1-CE2 3.5Å; F116-W351 VanDerWaalsContact CD1-CE2 3.5Å; F116-W351 HydrophobicContact CD1-CE3 4.47Å; F116-W351 AromaticContact CD1-CH2 3.82Å; F116-W351 HydrophobicContact CD1-CH2 3.82Å; F116-W351 AromaticContact CD1-CZ2 3.37Å; F116-W351 HydrophobicContact CD1-CZ2 3.37Å; F116-W351 HydrophobicContact CD1-CZ3 4.36Å; F116-W351 AromaticContact CD1-NE1 3.93Å; F116-W351 AromaticContact CE1-CD1 3.79Å; F116-W351 AromaticContact CE1-CD2 3.62Å; F116-W351 HydrophobicContact CE1-CD2 3.62Å; F116-W351 AromaticContact CE1-CE2 3.36Å; F116-W351 HydrophobicContact CE1-CE3 4.25Å; F116-W351 AromaticContact CE1-CG 3.9Å; F116-W351 HydrophobicContact CE1-CG 3.9Å; F116-W351 HydrophobicContact CE1-CH2 4.36Å; F116-W351 AromaticContact CE1-CZ2 3.78Å; F116-W351 HydrophobicContact CE1-CZ2 3.78Å; F116-W351 AromaticContact CE1-NE1 3.49Å; F116-W351 HydrophobicContact CG-CZ2 4.39Å; F116-L354 HydrophobicContact CD1-CD1 4.43Å; F116-L354 HydrophobicContact CE1-CD1 4.19Å
117K98.1Very high98.5Very high78 Ų7828 Ų2834%0.33913%0.128SC..THydrogen-bonded Turntrans-64.6-18.1-173.669.2-176.3176.3-179.30115.6S67 A88 G89 L113 R114S67-K117 PolarHBondContact O-NZ 2.85Å; A88-K117 HydrophobicContact CB-CB 3.78Å; A88-K117 HydrophobicContact CB-CD 4.26Å; G89-K117 WeakPolarHBondContact CA-O 3.25Å; L113-K117 WeakPolarHBondContact O-CB 3.34Å; R114-K117 WeakPolarHBondContact O-CG 3.18Å
118S97.3Very high98.5Very high68 Ų6828.3 Ų28.348%0.47613%0.129SC..THydrogen-bonded Turntrans-72.5-34.3177.551.70000112.4K93 F116K93-S118 PolarHBondContact NZ-O 2.95Å; F116-S118 PolarHBondContact O-N 2.86Å; F116-S118 VanDerWaalsContact O-N 3.14Å
119E98.3Very high98.5Very high118 Ų11828.5 Ų28.555%0.55113%0.131SC*.THydrogen-bonded Turntrans-111.2-23.2-176.6-60-63.5160.800113.1F116 W351F116-E119 PolarHBondContact O-N 2.81Å; E119-W351 HydrophobicContact CB-CH2 3.8Å; E119-W351 HydrophobicContact CB-CZ3 4.44Å; E119-W351 HydrophobicContact CG-CH2 3.57Å; E119-W351 HydrophobicContact CG-CZ2 4.47Å; E119-W351 HydrophobicContact CG-CZ3 4.22Å
120Y98.7Very high98.5Very high36 Ų3628.6 Ų28.614%0.14113%0.131CC..SBendtrans-120.9151.8-176.3-64.8-90.4000111.6P94 M96 F116 V122 V164 W351 L354P94-Y120 HydrophobicContact CB-CD1 3.98Å; P94-Y120 HydrophobicContact CB-CE1 4.11Å; P94-Y120 WeakPolarHBondContact O-CA 3.39Å; P94-Y120 WeakPolarHBondContact O-CD1 3.46Å; M96-Y120 HydrophobicContact CB-CD1 4.06Å; M96-Y120 HydrophobicContact CB-CG 4.11Å; M96-Y120 HydrophobicContact CE-CD1 4.27Å; M96-Y120 HydrophobicContact CE-CD2 3.79Å; M96-Y120 HydrophobicContact CE-CE1 4.43Å; M96-Y120 HydrophobicContact CE-CE2 3.98Å; M96-Y120 HydrophobicContact CE-CG 3.96Å; F116-Y120 HydrophobicContact CB-CD2 4.26Å; F116-Y120 PolarHBondContact O-N 3.33Å; Y120-V122 PolarHBondContact O-N 3.39Å; Y120-V164 HydrophobicContact CE1-CG2 3.94Å; Y120-W351 HydrophobicContact CD2-CH2 4.2Å; Y120-W351 AromaticContact CE2-CH2 3.87Å; Y120-W351 HydrophobicContact CE2-CH2 3.87Å; Y120-W351 AromaticContact CE2-CZ3 3.78Å; Y120-W351 HydrophobicContact CE2-CZ3 3.78Å; Y120-L354 HydrophobicContact CE2-CD1 3.93Å
121R98.6Very high98.4Very high30 Ų3030.1 Ų30.111%0.11315%0.149CC..EExtended strand (participates in β ladder)trans-78.5102.5153.5179.762.9172.4177.23.3106.1G89 K93 P94 L95 M96 V123G89-R121 WeakPolarHBondContact O-CD 3.45Å; G89-R121 PolarHBondContact O-NH1 3.08Å; K93-R121 HydrophobicContact CB-CB 4.41Å; P94-R121 PolarHBondContact O-N 2.82Å; L95-R121 WeakPolarHBondContact CA-O 3.24Å; L95-R121 HydrophobicContact CD1-CG 4.46Å; L95-R121 WeakPolarHBondContact CD1-O 3.45Å; M96-R121 PolarHBondContact N-O 3.45Å; R121-V123 HydrophobicContact CG-CG2 4.45Å
122V98.8Very high98.4Very high0 Ų032.1 Ų32.10%016%0.16CC..EExtended strand (participates in β ladder)trans-91.4128.1-178.6-167.50000108.6A87 A88 M96 L98 L113 F116 Y120A87-V122 CarbonylContact C-O 3.58Å; A87-V122 VanDerWaalsContact CA-O 3.25Å; A87-V122 WeakPolarHBondContact CA-O 3.49Å; A88-V122 PolarHBondContact N-O 3.37Å; A88-V122 PolarHBondContact O-N 3.29Å; M96-V122 HydrophobicContact CG-CG1 4.49Å; M96-V122 CarbonylContact O-C 3.54Å; M96-V122 WeakPolarHBondContact O-CA 3.16Å; M96-V122 HydrophobicContact SD-CG1 4.37Å; L98-V122 HydrophobicContact CD1-CG1 3.57Å; L98-V122 HydrophobicContact CG-CG1 4Å; L113-V122 HydrophobicContact CD2-CB 4.24Å; L113-V122 HydrophobicContact CD2-CG1 3.91Å; F116-V122 HydrophobicContact CB-CG2 3.58Å; Y120-V122 PolarHBondContact O-N 3.39Å
123V98.9Very high98.4Very high2 Ų232.4 Ų32.41%0.01216%0.162CC..EExtended strand (participates in β ladder)trans-124.2111.5179.3171.50000108.4Y85 A87 L95 M96 L97 L98 R121 L158Y85-V123 HydrophobicContact CD2-CB 4.46Å; Y85-V123 HydrophobicContact CD2-CG1 3.55Å; Y85-V123 HydrophobicContact CD2-CG2 4.28Å; Y85-V123 HydrophobicContact CE2-CG1 4.27Å; Y85-V123 HydrophobicContact CE2-CG2 4.37Å; Y85-V123 HydrophobicContact CG-CG1 3.88Å; A87-V123 HydrophobicContact CB-CG2 4.18Å; L95-V123 HydrophobicContact CD1-CB 3.97Å; L95-V123 HydrophobicContact CD1-CG2 3.56Å; M96-V123 PolarHBondContact O-N 3.07Å; L97-V123 HydrophobicContact CD1-CB 4.02Å; L97-V123 HydrophobicContact CD1-CG1 3.67Å; L98-V123 PolarHBondContact N-O 3.37Å; R121-V123 HydrophobicContact CG-CG2 4.45Å; V123-L158 HydrophobicContact CG1-CD1 4.34Å; V123-L158 HydrophobicContact CG2-CD1 4.41Å
124A98.9Very high98.4Very high0 Ų034.8 Ų34.80%018%0.175CC..EExtended strand (participates in β ladder)trans-96.3110.6170.700000109Y85 V86 L98 W106 W109 L113Y85-A124 CarbonylContact C-O 3.58Å; Y85-A124 VanDerWaalsContact CA-O 3.25Å; Y85-A124 WeakPolarHBondContact CA-O 3.36Å; Y85-A124 WeakPolarHBondContact CB-O 3.4Å; V86-A124 PolarHBondContact N-O 2.92Å; V86-A124 PolarHBondContact O-N 2.88Å; L98-A124 HydrophobicContact CB-CB 4.39Å; L98-A124 HydrophobicContact CD1-CB 4.37Å; W106-A124 HydrophobicContact CB-CB 3.9Å; W109-A124 HydrophobicContact CB-CB 4.14Å; L113-A124 HydrophobicContact CD1-CB 3.87Å; L113-A124 HydrophobicContact CD2-CB 3.96Å; L113-A124 HydrophobicContact CG-CB 4.06Å
125L98.8Very high98.4Very high0 Ų032.4 Ų32.40%018%0.177CC..EExtended strand (participates in β ladder)trans-90.3136.1-173.2177.867.6000110.6F83 L97 L98 L99 H100 L127 I151 I154F83-L125 HydrophobicContact CB-CD1 4.08Å; F83-L125 HydrophobicContact CD1-CD1 4.17Å; L97-L125 HydrophobicContact CD1-CB 4.35Å; L98-L125 PolarHBondContact O-N 2.9Å; L98-L125 VanDerWaalsContact O-N 3.12Å; L99-L125 HydrophobicContact CD2-CB 4.22Å; L99-L125 HydrophobicContact CD2-CD2 3.85Å; H100-L125 PolarHBondContact CD2-O 2.69Å; L125-L127 HydrophobicContact CD2-CD2 4.08Å; L125-I151 HydrophobicContact CD2-CD1 3.49Å; L125-I151 VanDerWaalsContact CD2-CD1 3.49Å; L125-I154 HydrophobicContact CD1-CD1 3.81Å; L125-I154 HydrophobicContact CD2-CD1 3.55Å; L125-I154 HydrophobicContact CG-CD1 4.35Å
126D98.9Very high98.3Very high1 Ų129.9 Ų29.91%0.00517%0.167CC..  trans-79.5115.2158-78.7-15.4000108.9H84 F105 W106 G131 E132 T133H84-D126 HydrophobicContact CB-CB 4.37Å; H84-D126 IonicContact CE1-OD2 3.3Å; H84-D126 IonicContact CG-OD2 2.71Å; H84-D126 IonicContact ND1-OD2 3.89Å; H84-D126 PolarHBondContact ND1-OD2 2.71Å; H84-D126 PolarHBondContact O-N 3.31Å; F105-D126 WeakPolarHBondContact CB-OD1 3.34Å; W106-D126 WeakPolarHBondContact CB-OD1 3.42Å; W106-D126 VanDerWaalsContact CD1-OD1 3.22Å; W106-D126 PolarHBondContact N-OD1 2.83Å; D126-G131 WeakPolarHBondContact OD2-CA 3.37Å; D126-E132 PolarHBondContact OD2-N 3.29Å; D126-T133 WeakPolarHBondContact CB-OG1 3.18Å; D126-T133 WeakPolarHBondContact O-CB 3.3Å; D126-T133 PolarHBondContact O-OG1 3.47Å
127L98.8Very high98Very high5 Ų537.2 Ų37.23%0.02621%0.205CC..  trans-61160.9178.5-66.5-179.9000111.3L99 H100 L125 G129 Y130 I151 I174L99-L127 HydrophobicContact CB-CD2 4.4Å; L99-L127 HydrophobicContact CD2-CD2 4.11Å; H100-L127 PolarHBondContact NE2-N 3.27Å; H100-L127 WeakPolarHBondContact O-CD1 3.45Å; L125-L127 HydrophobicContact CD2-CD2 4.08Å; L127-G129 PolarHBondContact O-N 3.4Å; L127-G129 VanDerWaalsContact O-N 3.15Å; L127-Y130 HydrophobicContact CB-CD2 3.78Å; L127-Y130 HydrophobicContact CB-CE2 4.18Å; L127-Y130 WeakPolarHBondContact O-CB 3.46Å; L127-Y130 PolarHBondContact O-N 2.67Å; L127-I151 HydrophobicContact CD2-CD1 4.21Å; L127-I174 HydrophobicContact CD1-CD1 3.89Å; L127-I174 HydrophobicContact CD2-CD1 4.18Å
128R98.4Very high97.8Very high16 Ų1639.4 Ų39.46%0.0622%0.216CC..THydrogen-bonded Turntrans-46.3125.4176.4-174-173.1-67.2-146.3-4.7110.5L81 F83 Y130 N141 Y142 C146 L147 D150 H280L81-R128 HydrophobicContact CD1-CG 4.36Å; F83-R128 HydrophobicContact CE1-CB 4.03Å; F83-R128 HydrophobicContact CZ-CB 4.3Å; R128-Y130 WeakPolarHBondContact O-CD2 3.49Å; R128-N141 WeakPolarHBondContact CD-O 3.47Å; R128-N141 PolarHBondContact NH1-O 3.36Å; R128-Y142 HydrophobicContact CB-CE1 4.35Å; R128-Y142 HydrophobicContact CG-CD1 4.27Å; R128-Y142 HydrophobicContact CG-CE1 3.8Å; R128-Y142 WeakPolarHBondContact O-CE1 3.31Å; R128-C146 PolarHBondContact NH2-O 3.34Å; R128-L147 HydrophobicContact CB-CD2 3.97Å; R128-D150 IonicContact CZ-OD1 3.15Å; R128-D150 IonicContact CZ-OD2 3.82Å; R128-D150 IonicContact NE-OD1 2.7Å; R128-D150 IonicContact NE-OD2 2.68Å; R128-D150 PolarHBondContact NE-OD2 3.12Å; R128-D150 IonicContact NH2-OD1 2.87Å; R128-D150 PolarHBondContact NH2-OD1 2.88Å; R128-D150 IonicContact NH2-OD2 3.76Å; R128-D150 PolarHBondContact NH2-OD2 3.09Å; R128-H280 PolarHBondContact O-NE2 3.08Å
129G98Very high97.6Very high4 Ų442.1 Ų42.14%0.04122%0.215CC..THydrogen-bonded Turntrans84-1.3-179.600000116.7L127 D134 P277L127-G129 PolarHBondContact O-N 3.4Å; L127-G129 VanDerWaalsContact O-N 3.15Å; G129-D134 PolarHBondContact N-O 2.94Å; G129-D134 VanDerWaalsContact N-O 3.13Å; G129-P277 VanDerWaalsContact O-CD 3.24Å; G129-P277 WeakPolarHBondContact O-CD 3.16Å
130Y98.6Very high97.4Very high1 Ų140.9 Ų40.90%0.00421%0.21CC..SBendtrans-105.3153.5178.4-69.3-99.6000112H100 F102 E104 L127 R128 E132 T133 F268 P277 H280H100-Y130 AromaticContact CE1-CD1 3.45Å; H100-Y130 VanDerWaalsContact CE1-CD1 3.45Å; H100-Y130 WeakPolarHBondContact CE1-CD1 3.45Å; H100-Y130 AromaticContact CE1-CD2 3.74Å; H100-Y130 AromaticContact CE1-CE1 3.77Å; H100-Y130 AromaticContact CE1-CG 3.41Å; H100-Y130 VanDerWaalsContact CE1-CG 3.41Å; H100-Y130 AromaticContact NE2-CG 3.96Å; F102-Y130 WeakPolarHBondContact CB-OH 3.11Å; F102-Y130 HydrophobicContact CD2-CE1 4.42Å; E104-Y130 WeakPolarHBondContact O-CD1 3.41Å; E104-Y130 WeakPolarHBondContact O-CE1 3.38Å; L127-Y130 HydrophobicContact CB-CD2 3.78Å; L127-Y130 HydrophobicContact CB-CE2 4.18Å; L127-Y130 WeakPolarHBondContact O-CB 3.46Å; L127-Y130 PolarHBondContact O-N 2.67Å; R128-Y130 WeakPolarHBondContact O-CD2 3.49Å; Y130-E132 PolarHBondContact O-N 2.91Å; Y130-T133 WeakPolarHBondContact O-CB 3.47Å; Y130-T133 PolarHBondContact O-N 3.45Å; Y130-F268 HydrophobicContact CD1-CE1 4.17Å; Y130-F268 HydrophobicContact CD1-CZ 4.03Å; Y130-F268 HydrophobicContact CE1-CE1 4.2Å; Y130-F268 HydrophobicContact CE1-CZ 4.1Å; Y130-P277 HydrophobicContact CD1-CB 4.07Å; Y130-P277 HydrophobicContact CD1-CG 3.55Å; Y130-P277 HydrophobicContact CD2-CG 4.11Å; Y130-P277 HydrophobicContact CE1-CB 3.43Å; Y130-P277 VanDerWaalsContact CE1-CB 3.43Å; Y130-P277 HydrophobicContact CE1-CG 3.48Å; Y130-P277 VanDerWaalsContact CE1-CG 3.48Å; Y130-P277 HydrophobicContact CE2-CB 3.97Å; Y130-P277 HydrophobicContact CE2-CG 4.03Å; Y130-P277 HydrophobicContact CG-CG 3.89Å; Y130-P277 WeakPolarHBondContact OH-CB 3.4Å; Y130-H280 AromaticContact CE2-CD2 3.95Å; Y130-H280 AromaticContact CE2-CE1 3.95Å; Y130-H280 AromaticContact CE2-NE2 3.55Å
131G97.1Very high97.3Very high37 Ų3741.8 Ų41.838%0.38122%0.217SC..THydrogen-bonded Turntrans51.4-123.8171.300000112.9D126D126-G131 WeakPolarHBondContact OD2-CA 3.37Å
132E97.8Very high97.1Very high100 Ų10040.5 Ų40.547%0.46721%0.212SC..THydrogen-bonded Turntrans-98.15.6179.7-61.5-165.9-123.700113.9Y73 H84 D126 Y130Y73-E132 HydrophobicContact CE1-CB 4.15Å; Y73-E132 VanDerWaalsContact OH-CD 3.31Å; Y73-E132 PolarHBondContact OH-OE2 3.15Å; H84-E132 HydrophobicContact CB-CB 3.7Å; D126-E132 PolarHBondContact OD2-N 3.29Å; Y130-E132 PolarHBondContact O-N 2.91Å
133T98.8Very high96.9Very high7 Ų744.9 Ų44.94%0.04323%0.231CC..SBendtrans-74.9141.3170.7-73.70000110.2F83 H84 D126 Y130 A135F83-T133 WeakPolarHBondContact CA-OG1 3.39Å; F83-T133 HydrophobicContact CB-CG2 4.42Å; F83-T133 HydrophobicContact CD1-CG2 3.35Å; F83-T133 HydrophobicContact CE1-CG2 3.61Å; F83-T133 HydrophobicContact CG-CG2 3.95Å; F83-T133 HydrophobicContact CZ-CG2 4.39Å; H84-T133 PolarHBondContact N-OG1 2.84Å; D126-T133 WeakPolarHBondContact CB-OG1 3.18Å; D126-T133 WeakPolarHBondContact O-CB 3.3Å; D126-T133 PolarHBondContact O-OG1 3.47Å; Y130-T133 WeakPolarHBondContact O-CB 3.47Å; Y130-T133 PolarHBondContact O-N 3.45Å; T133-A135 PolarHBondContact O-N 3.44Å
134D98.4Very high96.6Very high50 Ų5045.2 Ų45.227%0.26723%0.233SC..  trans-53.4139.9178.1-73.8-9.5000111.8L81 R82 G129 P136L81-D134 HydrophobicContact CB-CB 4.4Å; L81-D134 HydrophobicContact CD2-CB 4.07Å; R82-D134 WeakPolarHBondContact CB-OD2 3.23Å; R82-D134 PolarHBondContact N-OD2 3.33Å; R82-D134 PolarHBondContact O-N 2.88Å; G129-D134 PolarHBondContact N-O 2.94Å; G129-D134 VanDerWaalsContact N-O 3.13Å; D134-P136 WeakPolarHBondContact O-CD 3.33Å
135A97.6Very high96.3Very high52 Ų5250.9 Ų50.943%0.4326%0.263SS..  trans-12083.7-176.200000111.2T133 I137 Y142T133-A135 PolarHBondContact O-N 3.44Å; A135-I137 PolarHBondContact O-N 2.93Å; A135-Y142 WeakPolarHBondContact CA-OH 3.16Å
136P96.8Very high96.1Very high23 Ų2352.7 Ų52.715%0.14928%0.275CS..  trans-55.4136.6177.4-25.234.4000112L81 D134 H138 N141 Y142L81-P136 HydrophobicContact CD1-CG 3.95Å; L81-P136 HydrophobicContact CD2-CG 3.65Å; L81-P136 HydrophobicContact CG-CG 4.48Å; D134-P136 WeakPolarHBondContact O-CD 3.33Å; P136-H138 PolarHBondContact O-N 3Å; P136-N141 HydrophobicContact CB-CB 3.74Å; P136-N141 VanDerWaalsContact CB-ND2 3.27Å; P136-N141 WeakPolarHBondContact CB-ND2 3.46Å; P136-N141 HydrophobicContact CG-CB 4.26Å; P136-Y142 WeakPolarHBondContact O-CE2 3.5Å; P136-Y142 PolarHBondContact O-OH 3.1Å
137I93.6Very high96Very high154 Ų15452.8 Ų52.879%0.7928%0.276SS*.SBendtrans-69.1-35.9-170.9-63.1165.9000112.4A135A135-I137 PolarHBondContact O-N 2.93Å
138H93.9Very high95.8Very high124 Ų12453.1 Ų53.157%0.57428%0.278SS*.SBendtrans-80.8129-172.9-60.5-62.8000112.4P136 Q140 N141P136-H138 PolarHBondContact O-N 3Å; H138-Q140 PolarHBondContact O-N 3.32Å; H138-N141 VanDerWaalsContact O-CB 3.32Å; H138-N141 WeakPolarHBondContact O-CB 3.23Å; H138-N141 PolarHBondContact O-N 3.37Å; H138-N141 PolarHBondContact O-ND2 3.47Å
139R93.1Very high95.7Very high124 Ų12455 Ų5547%0.46829%0.291SS..G310 helixtrans-54.5-31.2178.670.2177.4-177.9179.60.4113.2N141 Y142 N279 N283R139-N141 PolarHBondContact O-N 3.16Å; R139-N141 VanDerWaalsContact O-N 3.08Å; R139-Y142 PolarHBondContact O-N 2.83Å; R139-N279 HydrophobicContact CB-CB 4.4Å; R139-N283 PolarHBondContact O-ND2 2.97Å; R139-N283 PolarHBondContact O-OD1 3.35Å
140Q93.6Very high95.7Very high92 Ų9255 Ų5543%0.4329%0.29SS..G310 helixtrans-60.5-21.6-179.8-6778.5200112.8H138 Y142 K143H138-Q140 PolarHBondContact O-N 3.32Å; Q140-Y142 PolarHBondContact O-N 3.21Å; Q140-K143 WeakPolarHBondContact O-CG 3.47Å
141N95.6Very high95.7Very high56 Ų5655.1 Ų55.130%0.29929%0.291SS..G310 helixtrans-76.82.1173.8-60.5-35000112.8R128 P136 H138 R139R128-N141 WeakPolarHBondContact CD-O 3.47Å; R128-N141 PolarHBondContact NH1-O 3.36Å; P136-N141 HydrophobicContact CB-CB 3.74Å; P136-N141 VanDerWaalsContact CB-ND2 3.27Å; P136-N141 WeakPolarHBondContact CB-ND2 3.46Å; P136-N141 HydrophobicContact CG-CB 4.26Å; H138-N141 VanDerWaalsContact O-CB 3.32Å; H138-N141 WeakPolarHBondContact O-CB 3.23Å; H138-N141 PolarHBondContact O-N 3.37Å; H138-N141 PolarHBondContact O-ND2 3.47Å; R139-N141 PolarHBondContact O-N 3.16Å; R139-N141 VanDerWaalsContact O-N 3.08Å
142Y95.9Very high95.7Very high2 Ų256.9 Ų56.91%0.00829%0.288CS..G310 helixtrans-118.920.9178.7-62.2-95000112R128 A135 P136 R139 Q140 L147 G276 N279 H280R128-Y142 HydrophobicContact CB-CE1 4.35Å; R128-Y142 HydrophobicContact CG-CD1 4.27Å; R128-Y142 HydrophobicContact CG-CE1 3.8Å; R128-Y142 WeakPolarHBondContact O-CE1 3.31Å; A135-Y142 WeakPolarHBondContact CA-OH 3.16Å; P136-Y142 WeakPolarHBondContact O-CE2 3.5Å; P136-Y142 PolarHBondContact O-OH 3.1Å; R139-Y142 PolarHBondContact O-N 2.83Å; Q140-Y142 PolarHBondContact O-N 3.21Å; Y142-L147 HydrophobicContact CD1-CD2 4.48Å; Y142-G276 WeakPolarHBondContact CE1-O 3.36Å; Y142-G276 VanDerWaalsContact OH-CA 3.29Å; Y142-G276 WeakPolarHBondContact OH-CA 3.47Å; Y142-N279 WeakPolarHBondContact CB-O 3.38Å; Y142-N279 HydrophobicContact CD1-CB 4.16Å; Y142-N279 HydrophobicContact CD2-CB 3.35Å; Y142-N279 HydrophobicContact CE1-CB 4.5Å; Y142-N279 HydrophobicContact CE2-CB 3.75Å; Y142-N279 WeakPolarHBondContact CE2-ND2 3.45Å; Y142-N279 HydrophobicContact CG-CB 3.56Å; Y142-H280 AromaticContact CD1-CD2 3.46Å; Y142-H280 VanDerWaalsContact CD1-CD2 3.46Å; Y142-H280 WeakPolarHBondContact CD1-CD2 3.29Å; Y142-H280 AromaticContact CD1-NE2 3.58Å; Y142-H280 AromaticContact CE1-NE2 3.96Å
143K93.9Very high95.7Very high92 Ų9252.6 Ų52.640%0.427%0.268SS..SBendtrans-64.4150168.8-69.5176.8-179.1-176.40109.8Q140 D145 C146 L147 N283Q140-K143 WeakPolarHBondContact O-CG 3.47Å; K143-D145 VanDerWaalsContact C-N 3.26Å; K143-D145 PolarHBondContact O-N 3.02Å; K143-C146 WeakPolarHBondContact O-CB 3.3Å; K143-C146 PolarHBondContact O-N 3.16Å; K143-L147 PolarHBondContact O-N 3.24Å; K143-N283 HydrophobicContact CG-CB 4.3Å
144L92.4Very high95.6Very high9 Ų952.3 Ų52.35%0.04727%0.266CS..Hα-helixtrans-52.4-44-179.2-71.1176.6000112.3C146 L147 I148 W170 M173 L177 C287 L290L144-C146 VanDerWaalsContact C-N 3.26Å; L144-C146 PolarHBondContact O-N 3.07Å; L144-L147 PolarHBondContact O-N 3.36Å; L144-I148 HydrophobicContact CB-CD1 4.42Å; L144-I148 WeakPolarHBondContact O-CB 3.48Å; L144-I148 WeakPolarHBondContact O-CD1 3.31Å; L144-I148 WeakPolarHBondContact O-CG1 3.41Å; L144-I148 PolarHBondContact O-N 3.11Å; L144-W170 HydrophobicContact CD2-CZ3 4.09Å; L144-M173 HydrophobicContact CD2-CE 4.35Å; L144-M173 HydrophobicContact CD2-CG 4.42Å; L144-L177 HydrophobicContact CB-CD1 4.35Å; L144-L177 HydrophobicContact CD1-CD1 3.93Å; L144-L177 HydrophobicContact CD2-CD1 3.85Å; L144-L177 HydrophobicContact CG-CD1 4.27Å; L144-C287 HydrophobicContact CD1-CB 3.73Å; L144-C287 HydrophobicContact CG-CB 4.38Å; L144-L290 HydrophobicContact CD1-CD2 4.48Å
145D92Very high95.6Very high119 Ų11950.1 Ų50.164%0.63626%0.255SS*.Hα-helixtrans-56.1-41.2178-60.1-16.3000112.2K143 T149K143-D145 VanDerWaalsContact C-N 3.26Å; K143-D145 PolarHBondContact O-N 3.02Å; D145-T149 WeakPolarHBondContact O-CB 3.5Å; D145-T149 PolarHBondContact O-N 3.05Å; D145-T149 PolarHBondContact O-OG1 2.92Å
146C95.4Very high95.5Very high38 Ų3853.2 Ų53.226%0.25726%0.264SS..Hα-helixtrans-64.4-44.3176.4-60.70000111.9R128 K143 L144 T149 D150R128-C146 PolarHBondContact NH2-O 3.34Å; K143-C146 WeakPolarHBondContact O-CB 3.3Å; K143-C146 PolarHBondContact O-N 3.16Å; L144-C146 VanDerWaalsContact C-N 3.26Å; L144-C146 PolarHBondContact O-N 3.07Å; C146-T149 PolarHBondContact O-N 3.01Å; C146-D150 VanDerWaalsContact O-CG 3.23Å; C146-D150 PolarHBondContact O-N 3.13Å
147L96.1Very high95.5Very high4 Ų454.6 Ų54.62%0.02127%0.274CS..Hα-helixtrans-67.9-36.6-178.8-57177.9000111.7R128 Y142 K143 L144 I151 I174 H280R128-L147 HydrophobicContact CB-CD2 3.97Å; Y142-L147 HydrophobicContact CD1-CD2 4.48Å; K143-L147 PolarHBondContact O-N 3.24Å; L144-L147 PolarHBondContact O-N 3.36Å; L147-I151 PolarHBondContact O-N 2.8Å; L147-I174 HydrophobicContact CB-CD1 4.1Å; L147-I174 HydrophobicContact CB-CG1 4.26Å; L147-I174 HydrophobicContact CD1-CD1 4.24Å; L147-H280 WeakPolarHBondContact CD1-ND1 3.39Å
148I95.4Very high95.6Very high11 Ų1149 Ų496%0.05625%0.246CC..Hα-helixtrans-66.6-47.8174.4-65163.1000109.8L144 D150 I151 K152 L177 I178 Y182L144-I148 HydrophobicContact CB-CD1 4.42Å; L144-I148 WeakPolarHBondContact O-CB 3.48Å; L144-I148 WeakPolarHBondContact O-CD1 3.31Å; L144-I148 WeakPolarHBondContact O-CG1 3.41Å; L144-I148 PolarHBondContact O-N 3.11Å; I148-D150 VanDerWaalsContact C-N 3.25Å; I148-D150 PolarHBondContact O-N 3.42Å; I148-I151 PolarHBondContact O-N 3.14Å; I148-K152 PolarHBondContact O-N 2.89Å; I148-L177 HydrophobicContact CD1-CB 3.68Å; I148-L177 HydrophobicContact CD1-CD1 4.02Å; I148-L177 HydrophobicContact CD1-CG 4.32Å; I148-L177 HydrophobicContact CG1-CB 3.87Å; I148-L177 HydrophobicContact CG1-CD1 4.4Å; I148-I178 HydrophobicContact CB-CD1 4.37Å; I148-I178 HydrophobicContact CG2-CD1 3.61Å; I148-I178 HydrophobicContact CG2-CG1 4.46Å; I148-I178 WeakPolarHBondContact O-CD1 3.49Å; I148-Y182 HydrophobicContact CG2-CD2 4.17Å; I148-Y182 HydrophobicContact CG2-CE2 3.65Å
149T96.6Very high95.7Very high56 Ų5646.3 Ų46.334%0.34425%0.252SS..Hα-helixtrans-58.3-38.6177.9-66.50000111.7D145 C146 I151 K152 D153D145-T149 WeakPolarHBondContact O-CB 3.5Å; D145-T149 PolarHBondContact O-N 3.05Å; D145-T149 PolarHBondContact O-OG1 2.92Å; C146-T149 PolarHBondContact O-N 3.01Å; T149-I151 PolarHBondContact O-N 2.71Å; T149-K152 PolarHBondContact O-N 3.35Å; T149-D153 VanDerWaalsContact CG2-OD2 3.29Å; T149-D153 WeakPolarHBondContact CG2-OD2 3.39Å; T149-D153 VanDerWaalsContact O-CG 3.31Å; T149-D153 PolarHBondContact O-N 2.89Å
150D97.9Very high96Very high4 Ų442.9 Ų42.92%0.02124%0.239CC..Hα-helixtrans-56-49.3175.4-69.7-29.5000112.2F83 R128 C146 I148 K152 D153 I154F83-D150 HydrophobicContact CE1-CB 4.18Å; F83-D150 HydrophobicContact CE2-CB 4.46Å; F83-D150 HydrophobicContact CZ-CB 3.78Å; F83-D150 WeakPolarHBondContact CZ-OD1 3.2Å; F83-D150 WeakPolarHBondContact CZ-OD2 3.33Å; R128-D150 IonicContact CZ-OD1 3.15Å; R128-D150 IonicContact CZ-OD2 3.82Å; R128-D150 IonicContact NE-OD1 2.7Å; R128-D150 IonicContact NE-OD2 2.68Å; R128-D150 PolarHBondContact NE-OD2 3.12Å; R128-D150 IonicContact NH2-OD1 2.87Å; R128-D150 PolarHBondContact NH2-OD1 2.88Å; R128-D150 IonicContact NH2-OD2 3.76Å; R128-D150 PolarHBondContact NH2-OD2 3.09Å; C146-D150 VanDerWaalsContact O-CG 3.23Å; C146-D150 PolarHBondContact O-N 3.13Å; I148-D150 VanDerWaalsContact C-N 3.25Å; I148-D150 PolarHBondContact O-N 3.42Å; D150-K152 VanDerWaalsContact C-N 3.28Å; D150-K152 PolarHBondContact O-N 3.14Å; D150-D153 PolarHBondContact O-N 2.87Å; D150-I154 HydrophobicContact CB-CD1 4.4Å; D150-I154 VanDerWaalsContact O-CB 3.31Å; D150-I154 WeakPolarHBondContact O-CB 3.03Å; D150-I154 WeakPolarHBondContact O-CD1 3.21Å; D150-I154 WeakPolarHBondContact O-CG1 3.46Å; D150-I154 PolarHBondContact O-N 2.84Å
151I98.1Very high96.1Very high4 Ų443.1 Ų43.12%0.02125%0.251CS..Hα-helixtrans-63.7-38.7-178.4-57.2-47.8000111L97 L99 L125 L127 L147 I148 T149 L155 I174 I178L97-I151 HydrophobicContact CD2-CG2 3.86Å; L99-I151 HydrophobicContact CD1-CD1 4.1Å; L99-I151 HydrophobicContact CD1-CG1 4.13Å; L99-I151 HydrophobicContact CD2-CD1 3.69Å; L125-I151 HydrophobicContact CD2-CD1 3.49Å; L125-I151 VanDerWaalsContact CD2-CD1 3.49Å; L127-I151 HydrophobicContact CD2-CD1 4.21Å; L147-I151 PolarHBondContact O-N 2.8Å; I148-I151 PolarHBondContact O-N 3.14Å; T149-I151 PolarHBondContact O-N 2.71Å; I151-L155 WeakPolarHBondContact O-CB 3.24Å; I151-L155 PolarHBondContact O-N 3.03Å; I151-I174 HydrophobicContact CD1-CG2 4.46Å; I151-I174 HydrophobicContact CG1-CG2 3.57Å; I151-I178 HydrophobicContact CB-CD1 3.73Å; I151-I178 HydrophobicContact CB-CG1 4.08Å; I151-I178 HydrophobicContact CG2-CD1 3.93Å; I151-I178 HydrophobicContact CG2-CG1 3.99Å
152K96.8Very high96.2Very high73 Ų7345.4 Ų45.432%0.31726%0.258SS..Hα-helixtrans-60.1-50.8174.6175.7-172.6151.9-74.20111.9I148 T149 D150 I154 L155 D156 Y182 M185I148-K152 PolarHBondContact O-N 2.89Å; T149-K152 PolarHBondContact O-N 3.35Å; D150-K152 VanDerWaalsContact C-N 3.28Å; D150-K152 PolarHBondContact O-N 3.14Å; K152-I154 VanDerWaalsContact C-N 3.34Å; K152-L155 PolarHBondContact O-N 2.95Å; K152-D156 PolarHBondContact O-N 2.86Å; K152-D156 VanDerWaalsContact O-N 3.15Å; K152-Y182 HydrophobicContact CD-CD1 4.41Å; K152-Y182 HydrophobicContact CD-CE1 3.83Å; K152-Y182 HydrophobicContact CD-CE2 4.47Å; K152-M185 HydrophobicContact CB-CE 3.94Å; K152-M185 HydrophobicContact CB-SD 4.46Å; K152-M185 HydrophobicContact CG-CE 4.03Å; K152-M185 HydrophobicContact CG-SD 4.08Å
153D97.3Very high96.3Very high11 Ų1145.5 Ų45.56%0.05926%0.259CS..Hα-helixtrans-74.8-28.8-173.9-61.2-16.4000111.9I76 T149 D150 S157I76-D153 HydrophobicContact CD1-CB 4.1Å; I76-D153 HydrophobicContact CG2-CB 3.61Å; T149-D153 VanDerWaalsContact CG2-OD2 3.29Å; T149-D153 WeakPolarHBondContact CG2-OD2 3.39Å; T149-D153 VanDerWaalsContact O-CG 3.31Å; T149-D153 PolarHBondContact O-N 2.89Å; D150-D153 PolarHBondContact O-N 2.87Å; D153-S157 VanDerWaalsContact O-CB 3.23Å; D153-S157 WeakPolarHBondContact O-CB 3.39Å; D153-S157 PolarHBondContact O-N 3.17Å; D153-S157 PolarHBondContact O-OG 3.24Å
154I97.9Very high96.6Very high0 Ų041.3 Ų41.30%024%0.241CC..Hα-helixtrans-63.5-46.3169.8-71.2164000109.9V74 I76 F83 L125 D150 K152 D156 S157 L158V74-I154 HydrophobicContact CG1-CG1 4.31Å; I76-I154 HydrophobicContact CD1-CB 4.49Å; I76-I154 HydrophobicContact CD1-CG1 3.73Å; I76-I154 HydrophobicContact CG1-CG1 4.37Å; F83-I154 HydrophobicContact CB-CD1 4.24Å; F83-I154 HydrophobicContact CD1-CD1 3.76Å; F83-I154 HydrophobicContact CD2-CD1 4.19Å; F83-I154 HydrophobicContact CD2-CG1 4.41Å; F83-I154 HydrophobicContact CE1-CD1 4.16Å; F83-I154 HydrophobicContact CG-CD1 3.78Å; F83-I154 HydrophobicContact CG-CG1 4.35Å; L125-I154 HydrophobicContact CD1-CD1 3.81Å; L125-I154 HydrophobicContact CD2-CD1 3.55Å; L125-I154 HydrophobicContact CG-CD1 4.35Å; D150-I154 HydrophobicContact CB-CD1 4.4Å; D150-I154 VanDerWaalsContact O-CB 3.31Å; D150-I154 WeakPolarHBondContact O-CB 3.03Å; D150-I154 WeakPolarHBondContact O-CD1 3.21Å; D150-I154 WeakPolarHBondContact O-CG1 3.46Å; D150-I154 PolarHBondContact O-N 2.84Å; K152-I154 VanDerWaalsContact C-N 3.34Å; I154-D156 VanDerWaalsContact C-N 3.34Å; I154-D156 PolarHBondContact O-N 3.32Å; I154-S157 PolarHBondContact O-N 3.3Å; I154-L158 HydrophobicContact CG2-CD1 3.85Å; I154-L158 HydrophobicContact CG2-CG 4.29Å; I154-L158 WeakPolarHBondContact O-CB 3.39Å; I154-L158 VanDerWaalsContact O-CG 3.23Å; I154-L158 WeakPolarHBondContact O-CG 3.38Å; I154-L158 PolarHBondContact O-N 3.09Å
155L96.8Very high96.9Very high4 Ų441 Ų412%0.02124%0.239CC..Hα-helixtrans-58.9-47.4179.6-169.671.1000111.4L95 I151 K152 L158 G159 Y160 C163 M185L95-L155 HydrophobicContact CD2-CD1 3.29Å; I151-L155 WeakPolarHBondContact O-CB 3.24Å; I151-L155 PolarHBondContact O-N 3.03Å; K152-L155 PolarHBondContact O-N 2.95Å; L155-L158 PolarHBondContact O-N 3.29Å; L155-G159 PolarHBondContact O-N 3.06Å; L155-Y160 CarbonylContact C-O 3.57Å; L155-Y160 WeakPolarHBondContact CG-O 3.41Å; L155-Y160 PolarHBondContact O-N 3.38Å; L155-Y160 VanDerWaalsContact O-N 3.14Å; L155-C163 HydrophobicContact CD1-CB 3.95Å; L155-M185 HydrophobicContact CB-CE 4.01Å; L155-M185 HydrophobicContact CD2-CB 3.89Å; L155-M185 HydrophobicContact CD2-CE 3.35Å; L155-M185 HydrophobicContact CD2-CG 4.01Å; L155-M185 HydrophobicContact CD2-SD 4.43Å; L155-M185 HydrophobicContact CG-CE 4.28Å
156D95.7Very high97.2Very high117 Ų11735.3 Ų35.363%0.62621%0.209SC*.Hα-helixtrans-61-46175.9-17654.8000111.8K152 I154 L158 G159K152-D156 PolarHBondContact O-N 2.86Å; K152-D156 VanDerWaalsContact O-N 3.15Å; I154-D156 VanDerWaalsContact C-N 3.34Å; I154-D156 PolarHBondContact O-N 3.32Å; D156-L158 VanDerWaalsContact C-N 3.25Å; D156-L158 PolarHBondContact O-N 3.12Å; D156-G159 WeakPolarHBondContact O-CA 3.44Å; D156-G159 PolarHBondContact O-N 3.21Å
157S96.6Very high97.4Very high52 Ų5233.5 Ų33.536%0.36420%0.197SC..Hα-helixtrans-65.3-27.4179.7-60.50000113.4V74 D153 I154V74-S157 VanDerWaalsContact CG2-CB 3.41Å; D153-S157 VanDerWaalsContact O-CB 3.23Å; D153-S157 WeakPolarHBondContact O-CB 3.39Å; D153-S157 PolarHBondContact O-N 3.17Å; D153-S157 PolarHBondContact O-OG 3.24Å; I154-S157 PolarHBondContact O-N 3.3Å
158L96.5Very high97.5Very high37 Ų3733.3 Ų33.319%0.19420%0.196CC..THydrogen-bonded Turntrans-79-7.2172.8-67175.3000112.8Y85 L95 V123 I154 L155 D156 Y160Y85-L158 HydrophobicContact CE1-CD2 4.13Å; Y85-L158 HydrophobicContact CE2-CD2 4.18Å; Y85-L158 WeakPolarHBondContact OH-CD2 3.37Å; L95-L158 HydrophobicContact CD2-CD1 4.42Å; V123-L158 HydrophobicContact CG1-CD1 4.34Å; V123-L158 HydrophobicContact CG2-CD1 4.41Å; I154-L158 HydrophobicContact CG2-CD1 3.85Å; I154-L158 HydrophobicContact CG2-CG 4.29Å; I154-L158 WeakPolarHBondContact O-CB 3.39Å; I154-L158 VanDerWaalsContact O-CG 3.23Å; I154-L158 WeakPolarHBondContact O-CG 3.38Å; I154-L158 PolarHBondContact O-N 3.09Å; L155-L158 PolarHBondContact O-N 3.29Å; D156-L158 VanDerWaalsContact C-N 3.25Å; D156-L158 PolarHBondContact O-N 3.12Å; L158-Y160 HydrophobicContact CB-CD2 3.85Å; L158-Y160 HydrophobicContact CB-CE2 4.42Å; L158-Y160 VanDerWaalsContact O-CD2 3.3Å; L158-Y160 WeakPolarHBondContact O-CD2 3.37Å
159G96.7Very high97.6Very high68 Ų6833 Ų3370%0.70119%0.194SC*.THydrogen-bonded Turntrans8021.6179.600000114L155 D156L155-G159 PolarHBondContact O-N 3.06Å; D156-G159 WeakPolarHBondContact O-CA 3.44Å; D156-G159 PolarHBondContact O-N 3.21Å
160Y97.8Very high97.7Very high52 Ų5230.4 Ų30.420%0.20418%0.178CC..  trans-108.3140.7178.4-70.9-89.7000110.4K93 L95 L155 L158K93-Y160 WeakPolarHBondContact O-CE1 3.42Å; K93-Y160 PolarHBondContact O-OH 3.1Å; L95-Y160 HydrophobicContact CB-CD1 3.51Å; L95-Y160 HydrophobicContact CB-CD2 4.12Å; L95-Y160 HydrophobicContact CB-CE1 3.63Å; L95-Y160 HydrophobicContact CB-CE2 4.23Å; L95-Y160 HydrophobicContact CB-CG 3.76Å; L95-Y160 HydrophobicContact CD1-CE2 4.45Å; L95-Y160 HydrophobicContact CD2-CD1 4.33Å; L95-Y160 HydrophobicContact CD2-CD2 3.72Å; L95-Y160 HydrophobicContact CD2-CE2 4.36Å; L95-Y160 HydrophobicContact CD2-CG 3.69Å; L95-Y160 HydrophobicContact CG-CD2 4.38Å; L95-Y160 HydrophobicContact CG-CG 4.34Å; L155-Y160 CarbonylContact C-O 3.57Å; L155-Y160 WeakPolarHBondContact CG-O 3.41Å; L155-Y160 PolarHBondContact O-N 3.38Å; L155-Y160 VanDerWaalsContact O-N 3.14Å; L158-Y160 HydrophobicContact CB-CD2 3.85Å; L158-Y160 HydrophobicContact CB-CE2 4.42Å; L158-Y160 VanDerWaalsContact O-CD2 3.3Å; L158-Y160 WeakPolarHBondContact O-CD2 3.37Å
161S97Very high97.7Very high97 Ų9730.2 Ų30.268%0.67818%0.177SC*.SBendtrans-93.7-23.5171.6570000112.5
162K97.6Very high97.7Very high104 Ų10430 Ų3045%0.45218%0.176SC..  trans-145.2155.3180-47.5-170.2179.4-175.50111.8E184 M185 M187K162-E184 WeakPolarHBondContact CD-O 3.43Å; K162-E184 WeakPolarHBondContact CE-O 3.49Å; K162-E184 VanDerWaalsContact CG-O 3.25Å; K162-E184 WeakPolarHBondContact CG-O 3.5Å; K162-M185 CarbonylContact C-O 3.51Å; K162-M185 WeakPolarHBondContact CA-O 3.36Å; K162-M187 HydrophobicContact CB-CG 3.71Å; K162-M187 HydrophobicContact CB-SD 4.3Å; K162-M187 HydrophobicContact CD-CG 4.24Å
163C98.6Very high97.7Very high4 Ų426.6 Ų26.63%0.02716%0.162CC..EExtended strand (participates in β ladder)trans-141.3163.3173.964.70000112.5L95 L97 L155 M185 M187L95-C163 HydrophobicContact CB-CB 4Å; L95-C163 HydrophobicContact CD2-CB 3.87Å; L95-C163 HydrophobicContact CG-CB 3.82Å; L95-C163 WeakPolarHBondContact O-CA 3.35Å; L95-C163 WeakPolarHBondContact O-CB 3.04Å; L97-C163 HydrophobicContact CB-CB 4.42Å; L155-C163 HydrophobicContact CD1-CB 3.95Å; C163-M185 PolarHBondContact N-O 2.98Å; C163-M187 PolarHBondContact O-N 3.17Å
164V98.8Very high97.7Very high4 Ų426.2 Ų26.22%0.02416%0.159CC..EExtended strand (participates in β ladder)trans-76.2121.7150.9175.50000106.5L95 M96 L97 Y120 I166 M187 I190 L354L95-V164 PolarHBondContact O-N 3.11Å; M96-V164 CarbonylContact C-O 3.44Å; M96-V164 WeakPolarHBondContact CA-O 3.31Å; M96-V164 HydrophobicContact CB-CB 4.44Å; M96-V164 HydrophobicContact CE-CG1 4.34Å; M96-V164 HydrophobicContact CG-CB 4.4Å; M96-V164 HydrophobicContact CG-CG1 4.35Å; L97-V164 PolarHBondContact N-O 2.87Å; Y120-V164 HydrophobicContact CE1-CG2 3.94Å; V164-I166 HydrophobicContact CG1-CD1 4.43Å; V164-I166 HydrophobicContact CG1-CG1 4.17Å; V164-M187 HydrophobicContact CG2-CE 4.13Å; V164-I190 HydrophobicContact CG1-CD1 3.49Å; V164-I190 VanDerWaalsContact CG1-CD1 3.49Å; V164-L354 HydrophobicContact CG1-CD2 3.86Å; V164-L354 HydrophobicContact CG2-CD2 3.85Å
165L98.9Very high97.7Very high1 Ų126.2 Ų26.21%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-107.3123.8-177.2-173.359.1000109.9L97 L99 A175 I178 V186 K188 L189 I190L97-L165 HydrophobicContact CB-CD1 4.06Å; L97-L165 HydrophobicContact CD2-CD1 3.97Å; L97-L165 HydrophobicContact CG-CD1 4.08Å; L99-L165 HydrophobicContact CD1-CD1 3.94Å; L99-L165 HydrophobicContact CG-CD1 4.12Å; L165-A175 HydrophobicContact CD2-CB 3.88Å; L165-A175 HydrophobicContact CG-CB 3.92Å; L165-I178 HydrophobicContact CD2-CB 3.82Å; L165-I178 HydrophobicContact CD2-CG1 4.48Å; L165-I178 HydrophobicContact CD2-CG2 3.69Å; L165-V186 HydrophobicContact CB-CG1 3.79Å; L165-V186 HydrophobicContact CD2-CG2 4.05Å; L165-K188 PolarHBondContact N-O 3.43Å; L165-L189 HydrophobicContact CB-CD1 4.38Å; L165-L189 HydrophobicContact CD2-CD1 4.39Å; L165-L189 HydrophobicContact CG-CD1 4.42Å; L165-I190 PolarHBondContact O-N 2.81Å
166I98.9Very high97.7Very high0 Ų026 Ų260%016%0.158CC..EExtended strand (participates in β ladder)trans-120.8127.8178.8-45.4-165.8000109.2M96 L97 L98 L99 W109 V164 I190 I350M96-I166 HydrophobicContact CE-CD1 4.33Å; M96-I166 HydrophobicContact CG-CD1 3.97Å; M96-I166 HydrophobicContact CG-CG1 4.29Å; M96-I166 HydrophobicContact SD-CD1 3.75Å; L97-I166 PolarHBondContact O-N 3.3Å; L98-I166 CarbonylContact C-O 3.57Å; L98-I166 WeakPolarHBondContact CA-O 3.46Å; L98-I166 HydrophobicContact CD2-CB 3.61Å; L98-I166 HydrophobicContact CD2-CD1 3.63Å; L98-I166 HydrophobicContact CD2-CG1 3.73Å; L98-I166 HydrophobicContact CD2-CG2 4.32Å; L99-I166 PolarHBondContact N-O 2.92Å; W109-I166 HydrophobicContact CH2-CG2 3.7Å; W109-I166 HydrophobicContact CZ2-CG2 4.47Å; W109-I166 HydrophobicContact CZ3-CG2 3.99Å; V164-I166 HydrophobicContact CG1-CD1 4.43Å; V164-I166 HydrophobicContact CG1-CG1 4.17Å; I166-I190 CarbonylContact C-O 3.58Å; I166-I190 VanDerWaalsContact CA-O 3.23Å; I166-I190 WeakPolarHBondContact CA-O 3.45Å; I166-I190 HydrophobicContact CB-CB 4.42Å; I166-I190 HydrophobicContact CD1-CB 4.44Å; I166-I190 HydrophobicContact CD1-CD1 4.02Å; I166-I190 HydrophobicContact CG1-CB 4.09Å; I166-I190 HydrophobicContact CG1-CD1 3.91Å; I166-I190 HydrophobicContact CG2-CB 4.09Å; I166-I190 HydrophobicContact CG2-CG2 4.1Å; I166-I350 HydrophobicContact CD1-CD1 4.21Å; I166-I350 HydrophobicContact CD1-CG2 4.36Å
167G98.8Very high97.7Very high0 Ų021 Ų210%013%0.131CC..EExtended strand (participates in β ladder)trans-134.2139.1179.800000113L99 I190 V191 I192L99-G167 WeakPolarHBondContact O-CA 3.27Å; G167-I190 PolarHBondContact N-O 3.11Å; G167-V191 CarbonylContact O-C 3.55Å; G167-V191 WeakPolarHBondContact O-CA 3.5Å; G167-I192 PolarHBondContact O-N 3.24Å
168H98.8Very high97.7Very high0 Ų018.6 Ų18.60%011%0.114CC..EExtended strand (participates in β ladder)trans-120.2139.9171.9171-103.3000110.7L99 H100 G101 E104 W109 W170 G171 G172 I192 H336 W337 Q339L99-H168 PolarHBondContact O-N 3.05Å; H100-H168 CarbonylContact C-O 3.45Å; G101-H168 PolarHBondContact N-O 3.42Å; E104-H168 IonicContact OE2-CE1 3.61Å; E104-H168 IonicContact OE2-ND1 2.71Å; E104-H168 PolarHBondContact OE2-ND1 2.86Å; E104-H168 VanDerWaalsContact OE2-ND1 3.15Å; W109-H168 HydrophobicContact CH2-CB 3.93Å; W109-H168 HydrophobicContact CZ2-CB 3.72Å; H168-W170 PolarHBondContact O-N 2.98Å; H168-G171 VanDerWaalsContact O-CA 3.31Å; H168-G171 WeakPolarHBondContact O-CA 3.3Å; H168-G171 PolarHBondContact O-N 3.43Å; H168-G172 VanDerWaalsContact C-N 3.34Å; H168-G172 PolarHBondContact O-N 3.39Å; H168-G172 VanDerWaalsContact O-N 3.1Å; H168-I192 WeakPolarHBondContact CA-O 3.31Å; H168-I192 HydrophobicContact CB-CB 4.21Å; H168-I192 PolarHBondContact CD2-O 3.13Å; H168-I192 VanDerWaalsContact CD2-O 3.3Å; H168-H336 AromaticContact CE1-CD2 3.75Å; H168-H336 AromaticContact CE1-NE2 3.52Å; H168-H336 AromaticContact NE2-CD2 3.68Å; H168-H336 AromaticContact NE2-CE1 3.87Å; H168-H336 AromaticContact NE2-NE2 3.47Å; H168-H336 PolarHBondContact NE2-NE2 3.4Å; H168-H336 PolarHBondContact NE2-O 3.19Å; H168-W337 AromaticContact CE1-CE3 3.72Å; H168-W337 AromaticContact CE1-CZ3 3.88Å; H168-Q339 PolarHBondContact CD2-OE1 3.36Å; H168-Q339 PolarHBondContact ND1-NE2 3.3Å
169D97.6Very high97.7Very high4 Ų416.9 Ų16.92%0.02111%0.106CC..Hα-helixtrans49.6-117.9179.3171.4-100.2000112.1G101 F102 G171 G172 M173 I192 F194 H336G101-D169 VanDerWaalsContact CA-OD1 3.3Å; G101-D169 WeakPolarHBondContact CA-OD1 3.17Å; F102-D169 PolarHBondContact N-OD1 2.97Å; D169-G171 VanDerWaalsContact C-N 3.3Å; D169-G171 PolarHBondContact O-N 2.85Å; D169-G172 CarbonylContact O-C 3.56Å; D169-G172 VanDerWaalsContact O-CA 3.24Å; D169-G172 WeakPolarHBondContact O-CA 3.41Å; D169-G172 PolarHBondContact O-N 3.1Å; D169-M173 PolarHBondContact O-N 2.87Å; D169-I192 PolarHBondContact N-O 3.38Å; D169-F194 WeakPolarHBondContact O-CD2 3.41Å; D169-F194 WeakPolarHBondContact O-CG 3.39Å; D169-H336 IonicContact OD2-NE2 3.28Å
170W97.6Very high97.7Very high2 Ų214.9 Ų14.91%0.0088%0.079CC..Hα-helixtrans-60.2-38.2175.3-87.698.1000113L144 H168 G172 M173 I174 Y217 H280 Y281 I284L144-W170 HydrophobicContact CD2-CZ3 4.09Å; H168-W170 PolarHBondContact O-N 2.98Å; W170-G172 PolarHBondContact O-N 3.16Å; W170-M173 HydrophobicContact CD2-CE 4.1Å; W170-M173 HydrophobicContact CE3-CE 3.42Å; W170-M173 VanDerWaalsContact CE3-CE 3.42Å; W170-M173 HydrophobicContact CH2-CE 3.44Å; W170-M173 VanDerWaalsContact CH2-CE 3.44Å; W170-M173 HydrophobicContact CZ2-CE 4.08Å; W170-M173 HydrophobicContact CZ3-CE 3.08Å; W170-M173 WeakPolarHBondContact O-CB 3.25Å; W170-M173 PolarHBondContact O-N 3.29Å; W170-I174 VanDerWaalsContact O-CG1 3.3Å; W170-I174 WeakPolarHBondContact O-CG1 3.41Å; W170-I174 PolarHBondContact O-N 2.85Å; W170-Y217 HydrophobicContact CZ2-CE1 4Å; W170-H280 HydrophobicContact CD2-CB 3.94Å; W170-H280 HydrophobicContact CE3-CB 4.03Å; W170-H280 VanDerWaalsContact CH2-C 3.48Å; W170-H280 HydrophobicContact CH2-CB 4.13Å; W170-H280 WeakPolarHBondContact CH2-O 3.41Å; W170-H280 HydrophobicContact CZ2-CB 4.08Å; W170-H280 HydrophobicContact CZ3-CB 4.08Å; W170-Y281 AromaticContact CD1-CZ 3.68Å; W170-Y281 AromaticContact CE2-CD1 3.96Å; W170-Y281 AromaticContact CE2-CE1 3.81Å; W170-Y281 AromaticContact CZ2-CD1 3.64Å; W170-Y281 HydrophobicContact CZ2-CD1 3.64Å; W170-Y281 HydrophobicContact CZ2-CD2 4.37Å; W170-Y281 AromaticContact CZ2-CE1 3.95Å; W170-Y281 HydrophobicContact CZ2-CE1 3.95Å; W170-Y281 AromaticContact CZ2-CG 3.88Å; W170-Y281 HydrophobicContact CZ2-CG 3.88Å; W170-Y281 AromaticContact NE1-CD1 3.64Å; W170-Y281 AromaticContact NE1-CD2 3.84Å; W170-Y281 AromaticContact NE1-CE1 3.06Å; W170-Y281 AromaticContact NE1-CE2 3.34Å; W170-Y281 VanDerWaalsContact NE1-CE2 3.34Å; W170-Y281 AromaticContact NE1-CG 4Å; W170-Y281 AromaticContact NE1-CZ 2.94Å; W170-Y281 PolarHBondContact NE1-OH 2.89Å; W170-I284 HydrophobicContact CH2-CB 4.37Å; W170-I284 HydrophobicContact CH2-CD1 3.82Å; W170-I284 HydrophobicContact CH2-CG1 4.5Å; W170-I284 HydrophobicContact CZ3-CD1 4.45Å
171G98.4Very high97.5Very high0 Ų015.7 Ų15.70%09%0.091CC..Hα-helixtrans-61.2-32.7170.500000111.9H100 H168 D169 A175H100-G171 VanDerWaalsContact O-CA 3.25Å; H100-G171 WeakPolarHBondContact O-CA 3.31Å; H100-G171 PolarHBondContact O-N 2.9Å; H168-G171 VanDerWaalsContact O-CA 3.31Å; H168-G171 WeakPolarHBondContact O-CA 3.3Å; H168-G171 PolarHBondContact O-N 3.43Å; D169-G171 VanDerWaalsContact C-N 3.3Å; D169-G171 PolarHBondContact O-N 2.85Å; G171-A175 WeakPolarHBondContact O-CB 3.38Å; G171-A175 PolarHBondContact O-N 2.85Å
172G98.1Very high97.4Very high0 Ų014.2 Ų14.20%07%0.071CC..Hα-helixtrans-65.1-46.3171.100000112.5H168 D169 W170 I174 A175 W176H168-G172 VanDerWaalsContact C-N 3.34Å; H168-G172 PolarHBondContact O-N 3.39Å; H168-G172 VanDerWaalsContact O-N 3.1Å; D169-G172 CarbonylContact O-C 3.56Å; D169-G172 VanDerWaalsContact O-CA 3.24Å; D169-G172 WeakPolarHBondContact O-CA 3.41Å; D169-G172 PolarHBondContact O-N 3.1Å; W170-G172 PolarHBondContact O-N 3.16Å; G172-I174 PolarHBondContact O-N 3.43Å; G172-A175 PolarHBondContact O-N 3.31Å; G172-W176 PolarHBondContact O-N 3.18Å
173M96.3Very high97.3Very high2 Ų211.6 Ų11.61%0.017%0.065CC..Hα-helixtrans-57.9-48173.5-176.9137.763.900111.8L144 D169 W170 A175 W176 L177 F194 P197 I284L144-M173 HydrophobicContact CD2-CE 4.35Å; L144-M173 HydrophobicContact CD2-CG 4.42Å; D169-M173 PolarHBondContact O-N 2.87Å; W170-M173 HydrophobicContact CD2-CE 4.1Å; W170-M173 HydrophobicContact CE3-CE 3.42Å; W170-M173 VanDerWaalsContact CE3-CE 3.42Å; W170-M173 HydrophobicContact CH2-CE 3.44Å; W170-M173 VanDerWaalsContact CH2-CE 3.44Å; W170-M173 HydrophobicContact CZ2-CE 4.08Å; W170-M173 HydrophobicContact CZ3-CE 3.08Å; W170-M173 WeakPolarHBondContact O-CB 3.25Å; W170-M173 PolarHBondContact O-N 3.29Å; M173-A175 VanDerWaalsContact C-N 3.34Å; M173-W176 PolarHBondContact O-N 3.38Å; M173-L177 HydrophobicContact CG-CD1 3.92Å; M173-L177 VanDerWaalsContact O-CG 3.3Å; M173-L177 WeakPolarHBondContact O-CG 3.39Å; M173-L177 PolarHBondContact O-N 3.23Å; M173-F194 HydrophobicContact CB-CD1 3.91Å; M173-F194 HydrophobicContact CB-CE1 3.44Å; M173-F194 VanDerWaalsContact CB-CE1 3.44Å; M173-F194 HydrophobicContact CB-CE2 4.2Å; M173-F194 HydrophobicContact CB-CZ 3.61Å; M173-F194 HydrophobicContact CE-CZ 4.02Å; M173-F194 HydrophobicContact CG-CE1 3.87Å; M173-F194 HydrophobicContact CG-CZ 4.04Å; M173-F194 HydrophobicContact SD-CE1 3.77Å; M173-F194 HydrophobicContact SD-CZ 3.5Å; M173-F194 WeakPolarHBondContact SD-CZ 3.41Å; M173-P197 HydrophobicContact CG-CG 4.35Å; M173-I284 HydrophobicContact CE-CD1 3.51Å; M173-I284 HydrophobicContact SD-CD1 4.25Å
174I97.4Very high97.2Very high2 Ų216.3 Ų16.31%0.019%0.086CC..Hα-helixtrans-63-43.4178.8-64.7163.2000110.1L99 L127 L147 I151 W170 G172 W176 L177 I178L99-I174 HydrophobicContact CD1-CB 4.3Å; L99-I174 HydrophobicContact CD1-CG2 3.93Å; L127-I174 HydrophobicContact CD1-CD1 3.89Å; L127-I174 HydrophobicContact CD2-CD1 4.18Å; L147-I174 HydrophobicContact CB-CD1 4.1Å; L147-I174 HydrophobicContact CB-CG1 4.26Å; L147-I174 HydrophobicContact CD1-CD1 4.24Å; I151-I174 HydrophobicContact CD1-CG2 4.46Å; I151-I174 HydrophobicContact CG1-CG2 3.57Å; W170-I174 VanDerWaalsContact O-CG1 3.3Å; W170-I174 WeakPolarHBondContact O-CG1 3.41Å; W170-I174 PolarHBondContact O-N 2.85Å; G172-I174 PolarHBondContact O-N 3.43Å; I174-W176 PolarHBondContact O-N 2.91Å; I174-L177 PolarHBondContact O-N 2.88Å; I174-L177 VanDerWaalsContact O-N 3.15Å; I174-I178 HydrophobicContact CG2-CG1 4.32Å; I174-I178 WeakPolarHBondContact O-CG1 3.37Å; I174-I178 PolarHBondContact O-N 2.88Å
175A98.4Very high97.1Very high0 Ų017 Ų170%09%0.09CC..Hα-helixtrans-62-42.117900000112.6L99 L165 G171 G172 M173 I178 A179 L189L99-A175 HydrophobicContact CD1-CB 4.44Å; L165-A175 HydrophobicContact CD2-CB 3.88Å; L165-A175 HydrophobicContact CG-CB 3.92Å; G171-A175 WeakPolarHBondContact O-CB 3.38Å; G171-A175 PolarHBondContact O-N 2.85Å; G172-A175 PolarHBondContact O-N 3.31Å; M173-A175 VanDerWaalsContact C-N 3.34Å; A175-I178 PolarHBondContact O-N 3.23Å; A175-A179 PolarHBondContact O-N 3.01Å; A175-L189 HydrophobicContact CB-CD1 3.8Å
176W97.5Very high97.1Very high0 Ų017.4 Ų17.40%09%0.092CC..Hα-helixtrans-57.8-48171.3-81.1121000111.8G172 M173 I174 I178 A179 I180 L189 V191 F194 P195 H196 P197 V295 T299 T318 V322G172-W176 PolarHBondContact O-N 3.18Å; M173-W176 PolarHBondContact O-N 3.38Å; I174-W176 PolarHBondContact O-N 2.91Å; W176-I178 VanDerWaalsContact C-N 3.33Å; W176-I178 PolarHBondContact O-N 3.47Å; W176-A179 PolarHBondContact O-N 3.42Å; W176-I180 WeakPolarHBondContact O-CD1 3.36Å; W176-I180 VanDerWaalsContact O-CG1 3.24Å; W176-I180 WeakPolarHBondContact O-CG1 3.21Å; W176-I180 PolarHBondContact O-N 3.49Å; W176-L189 HydrophobicContact CD2-CD2 4.07Å; W176-L189 HydrophobicContact CE3-CD2 3.46Å; W176-L189 VanDerWaalsContact CE3-CD2 3.46Å; W176-L189 HydrophobicContact CH2-CD2 4.3Å; W176-L189 HydrophobicContact CZ3-CD2 3.59Å; W176-V191 HydrophobicContact CD2-CG2 4.14Å; W176-V191 HydrophobicContact CG-CG2 4.33Å; W176-V191 HydrophobicContact CZ2-CB 4.39Å; W176-V191 HydrophobicContact CZ2-CG2 4.18Å; W176-F194 AromaticContact CD1-CD1 3.99Å; W176-F194 PolarHBondContact NE1-O 2.97Å; W176-P195 PolarHBondContact NE1-O 3.49Å; W176-H196 AromaticContact CE3-CD2 3.99Å; W176-P197 HydrophobicContact CB-CG 3.79Å; W176-P197 HydrophobicContact CG-CG 4.41Å; W176-V295 HydrophobicContact CE3-CG2 3.8Å; W176-V295 HydrophobicContact CZ3-CB 4.19Å; W176-V295 HydrophobicContact CZ3-CG1 4.21Å; W176-V295 HydrophobicContact CZ3-CG2 3.83Å; W176-T299 HydrophobicContact CH2-CG2 3.5Å; W176-T299 HydrophobicContact CZ2-CG2 4.21Å; W176-T299 HydrophobicContact CZ3-CG2 3.94Å; W176-T318 HydrophobicContact CH2-CG2 3.72Å; W176-T318 HydrophobicContact CZ2-CG2 3.57Å; W176-V322 HydrophobicContact CH2-CG2 4.01Å; W176-V322 HydrophobicContact CZ3-CG2 4.1Å
177L95.6Very high97Very high11 Ų1121.2 Ų21.26%0.05811%0.111CC..Hα-helixtrans-66.5-34.6-178.1-67.7166.7000112.4L144 I148 M173 I174 I180 C181 P197 L290L144-L177 HydrophobicContact CB-CD1 4.35Å; L144-L177 HydrophobicContact CD1-CD1 3.93Å; L144-L177 HydrophobicContact CD2-CD1 3.85Å; L144-L177 HydrophobicContact CG-CD1 4.27Å; I148-L177 HydrophobicContact CD1-CB 3.68Å; I148-L177 HydrophobicContact CD1-CD1 4.02Å; I148-L177 HydrophobicContact CD1-CG 4.32Å; I148-L177 HydrophobicContact CG1-CB 3.87Å; I148-L177 HydrophobicContact CG1-CD1 4.4Å; M173-L177 HydrophobicContact CG-CD1 3.92Å; M173-L177 VanDerWaalsContact O-CG 3.3Å; M173-L177 WeakPolarHBondContact O-CG 3.39Å; M173-L177 PolarHBondContact O-N 3.23Å; I174-L177 PolarHBondContact O-N 2.88Å; I174-L177 VanDerWaalsContact O-N 3.15Å; L177-I180 HydrophobicContact CD2-CD1 4.35Å; L177-I180 PolarHBondContact O-N 3.38Å; L177-C181 WeakPolarHBondContact O-CB 3.31Å; L177-C181 PolarHBondContact O-N 2.88Å; L177-C181 PolarHBondContact O-SG 2.79Å; L177-P197 HydrophobicContact CD2-CG 4.15Å; L177-P197 HydrophobicContact CG-CG 4.16Å; L177-L290 HydrophobicContact CD2-CD1 4.43Å
178I97.3Very high96.9Very high2 Ų222.2 Ų22.21%0.0112%0.115CC..Hα-helixtrans-64-46171.9-67.6-74000110.8I148 I151 L165 I174 A175 W176 I180 C181 Y182 V186I148-I178 HydrophobicContact CB-CD1 4.37Å; I148-I178 HydrophobicContact CG2-CD1 3.61Å; I148-I178 HydrophobicContact CG2-CG1 4.46Å; I148-I178 WeakPolarHBondContact O-CD1 3.49Å; I151-I178 HydrophobicContact CB-CD1 3.73Å; I151-I178 HydrophobicContact CB-CG1 4.08Å; I151-I178 HydrophobicContact CG2-CD1 3.93Å; I151-I178 HydrophobicContact CG2-CG1 3.99Å; L165-I178 HydrophobicContact CD2-CB 3.82Å; L165-I178 HydrophobicContact CD2-CG1 4.48Å; L165-I178 HydrophobicContact CD2-CG2 3.69Å; I174-I178 HydrophobicContact CG2-CG1 4.32Å; I174-I178 WeakPolarHBondContact O-CG1 3.37Å; I174-I178 PolarHBondContact O-N 2.88Å; A175-I178 PolarHBondContact O-N 3.23Å; W176-I178 VanDerWaalsContact C-N 3.33Å; W176-I178 PolarHBondContact O-N 3.47Å; I178-I180 PolarHBondContact O-N 3.35Å; I178-C181 PolarHBondContact O-N 2.97Å; I178-Y182 HydrophobicContact CD1-CD2 4.25Å; I178-Y182 CarbonylContact O-C 3.28Å; I178-Y182 VanDerWaalsContact O-C 3.28Å; I178-Y182 WeakPolarHBondContact O-CA 3.36Å; I178-Y182 PolarHBondContact O-N 3.5Å; I178-V186 HydrophobicContact CG2-CG2 3.72Å
179A96.6Very high96.9Very high1 Ų122.2 Ų22.21%0.00812%0.115CC..Hα-helixtrans-66.7-23.3177.800000113.4A175 W176 P183 V186 L189 V295A175-A179 PolarHBondContact O-N 3.01Å; W176-A179 PolarHBondContact O-N 3.42Å; A179-P183 WeakPolarHBondContact O-CB 3.13Å; A179-V186 HydrophobicContact CB-CG2 4.32Å; A179-L189 HydrophobicContact CB-CD1 4.47Å; A179-L189 HydrophobicContact CB-CD2 3.77Å; A179-V295 HydrophobicContact CB-CG1 4.1Å
180I94.8Very high97Very high27 Ų2722 Ų2214%0.13811%0.114CC..Hα-helixtrans-78-51.2173.6-73.1164.3000111.3W176 L177 I178 H196 H293 V295W176-I180 WeakPolarHBondContact O-CD1 3.36Å; W176-I180 VanDerWaalsContact O-CG1 3.24Å; W176-I180 WeakPolarHBondContact O-CG1 3.21Å; W176-I180 PolarHBondContact O-N 3.49Å; L177-I180 HydrophobicContact CD2-CD1 4.35Å; L177-I180 PolarHBondContact O-N 3.38Å; I178-I180 PolarHBondContact O-N 3.35Å; I180-H196 WeakPolarHBondContact CD1-NE2 3.24Å; I180-H293 HydrophobicContact CB-CB 4.45Å; I180-H293 HydrophobicContact CG1-CB 4.41Å; I180-H293 HydrophobicContact CG2-CB 3.37Å; I180-V295 HydrophobicContact CD1-CG2 4.39Å; I180-V295 HydrophobicContact CG1-CG2 3.64Å
181C93.9Very high97Very high68 Ų6822 Ų2246%0.45911%0.114SC..Hα-helixtrans-84.7-31-170.7-67.30000113.1L177 I178L177-C181 WeakPolarHBondContact O-CB 3.31Å; L177-C181 PolarHBondContact O-N 2.88Å; L177-C181 PolarHBondContact O-SG 2.79Å; I178-C181 PolarHBondContact O-N 2.97Å
182Y95.5Very high97Very high67 Ų6722 Ų2226%0.26311%0.114SC..  trans-136.157.7-175.3-54.3-79.7000111I148 K152 I178 E184 M185I148-Y182 HydrophobicContact CG2-CD2 4.17Å; I148-Y182 HydrophobicContact CG2-CE2 3.65Å; K152-Y182 HydrophobicContact CD-CD1 4.41Å; K152-Y182 HydrophobicContact CD-CE1 3.83Å; K152-Y182 HydrophobicContact CD-CE2 4.47Å; I178-Y182 HydrophobicContact CD1-CD2 4.25Å; I178-Y182 CarbonylContact O-C 3.28Å; I178-Y182 VanDerWaalsContact O-C 3.28Å; I178-Y182 WeakPolarHBondContact O-CA 3.36Å; I178-Y182 PolarHBondContact O-N 3.5Å; Y182-E184 VanDerWaalsContact C-OE2 3.24Å; Y182-E184 WeakPolarHBondContact CA-OE2 3.3Å; Y182-E184 PolarHBondContact O-N 2.51Å; Y182-E184 VanDerWaalsContact O-N 3.08Å; Y182-M185 VanDerWaalsContact CB-SD 3.51Å; Y182-M185 HydrophobicContact CD1-SD 4.15Å; Y182-M185 HydrophobicContact CG-SD 3.87Å; Y182-M185 WeakPolarHBondContact O-CB 3.43Å; Y182-M185 PolarHBondContact O-N 2.65Å
183P95.1Very high96.9Very high49 Ų4922 Ų2232%0.31811%0.114SC..G310 helixtrans-57.5-26.7-176.524.7-35.1000113.1A179 M185 V186A179-P183 WeakPolarHBondContact O-CB 3.13Å; P183-M185 PolarHBondContact O-N 3.23Å; P183-V186 PolarHBondContact O-N 3.12Å
184E96.1Very high97Very high103 Ų10321.9 Ų21.948%0.48111%0.113SC..G310 helixtrans-65.2-24.917772.2-71.317000113.8K162 Y182K162-E184 WeakPolarHBondContact CD-O 3.43Å; K162-E184 WeakPolarHBondContact CE-O 3.49Å; K162-E184 VanDerWaalsContact CG-O 3.25Å; K162-E184 WeakPolarHBondContact CG-O 3.5Å; Y182-E184 VanDerWaalsContact C-OE2 3.24Å; Y182-E184 WeakPolarHBondContact CA-OE2 3.3Å; Y182-E184 PolarHBondContact O-N 2.51Å; Y182-E184 VanDerWaalsContact O-N 3.08Å
185M97.4Very high96.9Very high19 Ų1921.8 Ų21.89%0.09411%0.113CC..G310 helixtrans-83.5-11.1179.7-69.6169.653.800113.3K152 L155 K162 C163 Y182 P183K152-M185 HydrophobicContact CB-CE 3.94Å; K152-M185 HydrophobicContact CB-SD 4.46Å; K152-M185 HydrophobicContact CG-CE 4.03Å; K152-M185 HydrophobicContact CG-SD 4.08Å; L155-M185 HydrophobicContact CB-CE 4.01Å; L155-M185 HydrophobicContact CD2-CB 3.89Å; L155-M185 HydrophobicContact CD2-CE 3.35Å; L155-M185 HydrophobicContact CD2-CG 4.01Å; L155-M185 HydrophobicContact CD2-SD 4.43Å; L155-M185 HydrophobicContact CG-CE 4.28Å; K162-M185 CarbonylContact C-O 3.51Å; K162-M185 WeakPolarHBondContact CA-O 3.36Å; C163-M185 PolarHBondContact N-O 2.98Å; Y182-M185 VanDerWaalsContact CB-SD 3.51Å; Y182-M185 HydrophobicContact CD1-SD 4.15Å; Y182-M185 HydrophobicContact CG-SD 3.87Å; Y182-M185 WeakPolarHBondContact O-CB 3.43Å; Y182-M185 PolarHBondContact O-N 2.65Å; P183-M185 PolarHBondContact O-N 3.23Å
186V98.1Very high96.8Very high9 Ų921.8 Ų21.86%0.05511%0.113CC..EExtended strand (participates in β ladder)trans-115.5112.9-173.9-166.30000110.2L165 I178 A179 P183 K188 L189 T297L165-V186 HydrophobicContact CB-CG1 3.79Å; L165-V186 HydrophobicContact CD2-CG2 4.05Å; I178-V186 HydrophobicContact CG2-CG2 3.72Å; A179-V186 HydrophobicContact CB-CG2 4.32Å; P183-V186 PolarHBondContact O-N 3.12Å; V186-K188 WeakPolarHBondContact CG1-O 3.47Å; V186-L189 HydrophobicContact CG1-CB 4.18Å; V186-T297 HydrophobicContact CB-CG2 3.96Å; V186-T297 HydrophobicContact CG1-CG2 3.7Å; V186-T297 WeakPolarHBondContact O-CG2 2.96Å
187M96.9Very high96.5Very high80 Ų8021.8 Ų21.839%0.39411%0.113SC..EExtended strand (participates in β ladder)trans-73.9-48176.1-62.7-171.2-7300111.3K162 C163 V164K162-M187 HydrophobicContact CB-CG 3.71Å; K162-M187 HydrophobicContact CB-SD 4.3Å; K162-M187 HydrophobicContact CD-CG 4.24Å; C163-M187 PolarHBondContact O-N 3.17Å; V164-M187 HydrophobicContact CG2-CE 4.13Å
188K98.1Very high96.3Very high21 Ų2121.4 Ų21.49%0.09111%0.111CC..EExtended strand (participates in β ladder)trans-144136.7175.9-70.9-166.6-177.8-139.40108.3L165 V186 F353 L354 E356 T358L165-K188 PolarHBondContact N-O 3.43Å; V186-K188 WeakPolarHBondContact CG1-O 3.47Å; K188-F353 HydrophobicContact CB-CE1 3.79Å; K188-F353 HydrophobicContact CB-CZ 4.16Å; K188-F353 HydrophobicContact CD-CD1 4.3Å; K188-F353 HydrophobicContact CD-CE1 3.89Å; K188-F353 HydrophobicContact CD-CZ 4.01Å; K188-F353 HydrophobicContact CG-CE1 4.23Å; K188-F353 HydrophobicContact CG-CZ 4.25Å; K188-F353 PolarHBondContact NZ-O 2.95Å; K188-L354 HydrophobicContact CD-CD2 4.09Å; K188-L354 PolarHBondContact NZ-O 3.12Å; K188-E356 PolarHBondContact NZ-O 3.24Å; K188-T358 VanDerWaalsContact NZ-CG2 3.31Å
189L98.8Very high96Very high0 Ų021.4 Ų21.40%011%0.111CC..EExtended strand (participates in β ladder)trans-103.2127.2177.217965.6000108.9L165 A175 W176 A179 V186 V191 V295 T297 P298 T299 L300L165-L189 HydrophobicContact CB-CD1 4.38Å; L165-L189 HydrophobicContact CD2-CD1 4.39Å; L165-L189 HydrophobicContact CG-CD1 4.42Å; A175-L189 HydrophobicContact CB-CD1 3.8Å; W176-L189 HydrophobicContact CD2-CD2 4.07Å; W176-L189 HydrophobicContact CE3-CD2 3.46Å; W176-L189 VanDerWaalsContact CE3-CD2 3.46Å; W176-L189 HydrophobicContact CH2-CD2 4.3Å; W176-L189 HydrophobicContact CZ3-CD2 3.59Å; A179-L189 HydrophobicContact CB-CD1 4.47Å; A179-L189 HydrophobicContact CB-CD2 3.77Å; V186-L189 HydrophobicContact CG1-CB 4.18Å; L189-V191 HydrophobicContact CD1-CG2 3.93Å; L189-V191 HydrophobicContact CD2-CG2 4.12Å; L189-V191 HydrophobicContact CG-CG2 3.89Å; L189-V295 HydrophobicContact CD2-CG1 4.42Å; L189-T297 HydrophobicContact CB-CG2 4.06Å; L189-P298 PolarHBondContact N-O 2.83Å; L189-T299 HydrophobicContact CB-CG2 4.25Å; L189-T299 HydrophobicContact CD2-CG2 3.89Å; L189-T299 HydrophobicContact CG-CG2 4.09Å; L189-T299 CarbonylContact O-C 3.56Å; L189-T299 VanDerWaalsContact O-CA 3.29Å; L189-T299 WeakPolarHBondContact O-CA 3.42Å; L189-L300 PolarHBondContact O-N 2.96Å
190I98.9Very high95.7Very high0 Ų021.6 Ų21.60%011%0.112CC..EExtended strand (participates in β ladder)trans-119124167.7-59.5100.7000108V164 L165 I166 G167 I192 L300 I350 F353 L354V164-I190 HydrophobicContact CG1-CD1 3.49Å; V164-I190 VanDerWaalsContact CG1-CD1 3.49Å; L165-I190 PolarHBondContact O-N 2.81Å; I166-I190 CarbonylContact C-O 3.58Å; I166-I190 VanDerWaalsContact CA-O 3.23Å; I166-I190 WeakPolarHBondContact CA-O 3.45Å; I166-I190 HydrophobicContact CB-CB 4.42Å; I166-I190 HydrophobicContact CD1-CB 4.44Å; I166-I190 HydrophobicContact CD1-CD1 4.02Å; I166-I190 HydrophobicContact CG1-CB 4.09Å; I166-I190 HydrophobicContact CG1-CD1 3.91Å; I166-I190 HydrophobicContact CG2-CB 4.09Å; I166-I190 HydrophobicContact CG2-CG2 4.1Å; G167-I190 PolarHBondContact N-O 3.11Å; I190-I192 HydrophobicContact CG2-CG1 4.49Å; I190-L300 CarbonylContact C-O 3.58Å; I190-L300 WeakPolarHBondContact CA-O 3.35Å; I190-L300 HydrophobicContact CG1-CB 4.08Å; I190-L300 HydrophobicContact CG1-CD2 4.2Å; I190-L300 HydrophobicContact CG2-CB 4.43Å; I190-L300 HydrophobicContact CG2-CD2 4.08Å; I190-L300 HydrophobicContact CG2-CG 4.33Å; I190-I350 HydrophobicContact CG2-CG1 4.17Å; I190-F353 HydrophobicContact CD1-CD1 4.08Å; I190-F353 HydrophobicContact CD1-CE1 4.07Å; I190-F353 HydrophobicContact CG1-CD1 3.74Å; I190-F353 HydrophobicContact CG1-CE1 3.83Å; I190-L354 HydrophobicContact CD1-CD2 4.42Å
191V98.8Very high95.3Very high0 Ų021 Ų210%011%0.109CC..EExtended strand (participates in β ladder)trans-119.1137.2174.3-177.10000109.4G167 W176 L189 F194 L300 L301 L302G167-V191 CarbonylContact O-C 3.55Å; G167-V191 WeakPolarHBondContact O-CA 3.5Å; W176-V191 HydrophobicContact CD2-CG2 4.14Å; W176-V191 HydrophobicContact CG-CG2 4.33Å; W176-V191 HydrophobicContact CZ2-CB 4.39Å; W176-V191 HydrophobicContact CZ2-CG2 4.18Å; L189-V191 HydrophobicContact CD1-CG2 3.93Å; L189-V191 HydrophobicContact CD2-CG2 4.12Å; L189-V191 HydrophobicContact CG-CG2 3.89Å; V191-F194 HydrophobicContact CG1-CB 3.89Å; V191-F194 VanDerWaalsContact CG1-O 3.31Å; V191-F194 WeakPolarHBondContact CG1-O 3.46Å; V191-L300 PolarHBondContact N-O 3.05Å; V191-L301 HydrophobicContact CB-CD1 3.99Å; V191-L301 HydrophobicContact CG1-CD1 4.09Å; V191-L301 WeakPolarHBondContact O-CA 3.37Å; V191-L302 PolarHBondContact O-N 3.35Å
192I98.6Very high95Very high0 Ų020.3 Ų20.30%010%0.1CC..EExtended strand (participates in β ladder)trans-116.4119.7178.9-53.2-171.4000107.8W109 G167 H168 D169 I190 F194 L302 L338 Q339 V346W109-I192 HydrophobicContact CH2-CD1 3.79Å; W109-I192 HydrophobicContact CZ3-CD1 3.85Å; G167-I192 PolarHBondContact O-N 3.24Å; H168-I192 WeakPolarHBondContact CA-O 3.31Å; H168-I192 HydrophobicContact CB-CB 4.21Å; H168-I192 PolarHBondContact CD2-O 3.13Å; H168-I192 VanDerWaalsContact CD2-O 3.3Å; D169-I192 PolarHBondContact N-O 3.38Å; I190-I192 HydrophobicContact CG2-CG1 4.49Å; I192-F194 VanDerWaalsContact C-N 3.35Å; I192-F194 PolarHBondContact O-N 2.98Å; I192-L302 WeakPolarHBondContact CA-O 3.46Å; I192-L302 HydrophobicContact CD1-CD1 4.47Å; I192-L302 HydrophobicContact CG1-CB 4.36Å; I192-L302 HydrophobicContact CG1-CD1 4.38Å; I192-L338 HydrophobicContact CG2-CB 3.64Å; I192-L338 HydrophobicContact CG2-CD2 4Å; I192-L338 HydrophobicContact CG2-CG 4.25Å; I192-Q339 HydrophobicContact CD1-CB 4.18Å; I192-V346 HydrophobicContact CD1-CG1 3.99Å
193N95.7Very high94.8Very high0 Ų018.2 Ų18.20%09%0.091CC..SBendtrans47.552.3175.8-66.954000113.2L302 G304 D307 M310 S335 L338N193-L302 PolarHBondContact N-O 3.23Å; N193-G304 PolarHBondContact ND2-N 3.14Å; N193-G304 VanDerWaalsContact ND2-N 3.2Å; N193-G304 PolarHBondContact OD1-N 2.99Å; N193-D307 PolarHBondContact ND2-OD2 2.98Å; N193-M310 WeakPolarHBondContact O-CE 3.45Å; N193-S335 PolarHBondContact ND2-O 3.41Å; N193-L338 WeakPolarHBondContact OD1-CD1 3.41Å; N193-L338 VanDerWaalsContact OD1-CD2 3.28Å; N193-L338 WeakPolarHBondContact OD1-CD2 3.35Å
194F96.8Very high94.3Very high0 Ų016.8 Ų16.80%08%0.081CC..  trans-152.7125164.3-160.7-89.5000109.7D169 M173 W176 V191 I192 F200 M310D169-F194 WeakPolarHBondContact O-CD2 3.41Å; D169-F194 WeakPolarHBondContact O-CG 3.39Å; M173-F194 HydrophobicContact CB-CD1 3.91Å; M173-F194 HydrophobicContact CB-CE1 3.44Å; M173-F194 VanDerWaalsContact CB-CE1 3.44Å; M173-F194 HydrophobicContact CB-CE2 4.2Å; M173-F194 HydrophobicContact CB-CZ 3.61Å; M173-F194 HydrophobicContact CE-CZ 4.02Å; M173-F194 HydrophobicContact CG-CE1 3.87Å; M173-F194 HydrophobicContact CG-CZ 4.04Å; M173-F194 HydrophobicContact SD-CE1 3.77Å; M173-F194 HydrophobicContact SD-CZ 3.5Å; M173-F194 WeakPolarHBondContact SD-CZ 3.41Å; W176-F194 AromaticContact CD1-CD1 3.99Å; W176-F194 PolarHBondContact NE1-O 2.97Å; V191-F194 HydrophobicContact CG1-CB 3.89Å; V191-F194 VanDerWaalsContact CG1-O 3.31Å; V191-F194 WeakPolarHBondContact CG1-O 3.46Å; I192-F194 VanDerWaalsContact C-N 3.35Å; I192-F194 PolarHBondContact O-N 2.98Å; F194-F200 HydrophobicContact CZ-CD2 4.5Å; F194-F200 HydrophobicContact CZ-CG 4.31Å; F194-M310 HydrophobicContact CD2-CE 4.03Å; F194-M310 HydrophobicContact CD2-SD 4.03Å; F194-M310 HydrophobicContact CE2-SD 4.37Å
195P96.1Very high93.7Very high0 Ų018.5 Ų18.50%09%0.092CC..  trans-78.1169.2-177.635.3-34.5000109.8W176 V199 F200 W303 M310 M314 T318W176-P195 PolarHBondContact NE1-O 3.49Å; P195-V199 HydrophobicContact CB-CB 4.27Å; P195-V199 HydrophobicContact CB-CG1 4.22Å; P195-F200 HydrophobicContact CG-CB 4Å; P195-F200 HydrophobicContact CG-CD2 4.39Å; P195-W303 HydrophobicContact CB-CH2 4.13Å; P195-W303 HydrophobicContact CB-CZ3 4.11Å; P195-W303 HydrophobicContact CG-CH2 4.19Å; P195-M310 VanDerWaalsContact CD-SD 3.57Å; P195-M310 HydrophobicContact CG-SD 4.46Å; P195-M314 HydrophobicContact CB-CB 3.71Å; P195-M314 HydrophobicContact CG-CB 3.95Å; P195-M314 HydrophobicContact CG-SD 4.04Å; P195-T318 WeakPolarHBondContact CA-OG1 3.5Å; P195-T318 WeakPolarHBondContact CB-OG1 3Å
196H95.6Very high93.2Very high0 Ų025.8 Ų25.80%012%0.119CC..  trans-54.5137.7172.5-178.9-83.7000110.4W176 I180 N198 V199 F200 H293 T318 Y321W176-H196 AromaticContact CE3-CD2 3.99Å; I180-H196 WeakPolarHBondContact CD1-NE2 3.24Å; H196-N198 VanDerWaalsContact C-N 3.27Å; H196-N198 PolarHBondContact ND1-N 3Å; H196-N198 PolarHBondContact O-N 3.18Å; H196-N198 VanDerWaalsContact O-N 3.1Å; H196-V199 HydrophobicContact CB-CG2 4.13Å; H196-V199 WeakPolarHBondContact O-CA 3.36Å; H196-V199 VanDerWaalsContact O-CB 3.31Å; H196-V199 WeakPolarHBondContact O-CB 3.43Å; H196-V199 PolarHBondContact O-N 3.37Å; H196-F200 PolarHBondContact O-N 3.2Å; H196-F200 VanDerWaalsContact O-N 3.11Å; H196-H293 PolarHBondContact NE2-O 3.47Å; H196-T318 HydrophobicContact CB-CG2 3.83Å; H196-T318 PolarHBondContact N-OG1 3.01Å; H196-Y321 HydrophobicContact CB-CD2 4.31Å; H196-Y321 HydrophobicContact CB-CG 4.41Å; H196-Y321 AromaticContact CE1-CD1 3.65Å; H196-Y321 AromaticContact CE1-CG 3.84Å; H196-Y321 AromaticContact CG-CG 3.83Å; H196-Y321 AromaticContact ND1-CD1 3.79Å; H196-Y321 AromaticContact ND1-CD2 3.94Å; H196-Y321 AromaticContact ND1-CG 3.61Å
197P92.5Very high92.9Very high0 Ų028.4 Ų28.40%013%0.131CC..Hα-helixtrans-54.2-37.8-172.1-3035.2000114.4M173 W176 L177 V199 F200 T201 L290M173-P197 HydrophobicContact CG-CG 4.35Å; W176-P197 HydrophobicContact CB-CG 3.79Å; W176-P197 HydrophobicContact CG-CG 4.41Å; L177-P197 HydrophobicContact CD2-CG 4.15Å; L177-P197 HydrophobicContact CG-CG 4.16Å; P197-V199 PolarHBondContact O-N 3.03Å; P197-F200 WeakPolarHBondContact O-CB 3.27Å; P197-F200 PolarHBondContact O-N 3.49Å; P197-T201 WeakPolarHBondContact O-CG2 3.22Å; P197-T201 PolarHBondContact O-N 3.07Å; P197-T201 VanDerWaalsContact O-N 3.16Å; P197-T201 PolarHBondContact O-OG1 3.33Å; P197-L290 HydrophobicContact CB-CD1 3.31Å; P197-L290 HydrophobicContact CG-CD1 4.49Å
198N90.1Very high92.6Very high3 Ų329.7 Ų29.72%0.01615%0.145CC..Hα-helixtrans-63-40.6173.8-7838.1000113H196 T201 E202 L290 H292 Y321H196-N198 VanDerWaalsContact C-N 3.27Å; H196-N198 PolarHBondContact ND1-N 3Å; H196-N198 PolarHBondContact O-N 3.18Å; H196-N198 VanDerWaalsContact O-N 3.1Å; N198-T201 PolarHBondContact O-N 3.46Å; N198-T201 PolarHBondContact O-OG1 3.16Å; N198-E202 WeakPolarHBondContact O-CB 3.36Å; N198-E202 WeakPolarHBondContact O-CG 3.34Å; N198-E202 PolarHBondContact O-N 3.36Å; N198-L290 PolarHBondContact ND2-O 3.31Å; N198-L290 VanDerWaalsContact OD1-CB 3.22Å; N198-L290 WeakPolarHBondContact OD1-CB 3.47Å; N198-L290 PolarHBondContact OD1-O 2.99Å; N198-H292 WeakPolarHBondContact ND2-CA 3.45Å; N198-H292 PolarHBondContact ND2-CD2 3.39Å; N198-H292 PolarHBondContact ND2-N 2.75Å; N198-H292 VanDerWaalsContact ND2-N 3.18Å; N198-H292 PolarHBondContact ND2-ND1 2.93Å; N198-Y321 HydrophobicContact CB-CE1 3.77Å; N198-Y321 HydrophobicContact CB-CE2 4.34Å
199V92.1Very high92.4Very high3 Ų331 Ų312%0.01816%0.159CC..Hα-helixtrans-60.5-49.4176.31780000109.8P195 H196 P197 T201 E202 Y203 M314 V317 Y321P195-V199 HydrophobicContact CB-CB 4.27Å; P195-V199 HydrophobicContact CB-CG1 4.22Å; H196-V199 HydrophobicContact CB-CG2 4.13Å; H196-V199 WeakPolarHBondContact O-CA 3.36Å; H196-V199 VanDerWaalsContact O-CB 3.31Å; H196-V199 WeakPolarHBondContact O-CB 3.43Å; H196-V199 PolarHBondContact O-N 3.37Å; P197-V199 PolarHBondContact O-N 3.03Å; V199-T201 VanDerWaalsContact C-N 3.26Å; V199-T201 PolarHBondContact O-N 3.43Å; V199-E202 PolarHBondContact O-N 3.43Å; V199-Y203 WeakPolarHBondContact O-CB 3.27Å; V199-Y203 PolarHBondContact O-N 3.33Å; V199-M314 HydrophobicContact CG1-CB 3.93Å; V199-M314 HydrophobicContact CG1-CG 4.18Å; V199-V317 HydrophobicContact CG1-CB 4.02Å; V199-V317 HydrophobicContact CG1-CG1 4.04Å; V199-V317 HydrophobicContact CG2-CB 4.4Å; V199-V317 HydrophobicContact CG2-CG1 3.88Å; V199-Y321 HydrophobicContact CG2-CD2 3.54Å; V199-Y321 HydrophobicContact CG2-CE2 3.39Å
200F90.8Very high92.2Very high5 Ų531 Ų312%0.02216%0.159CC..Hα-helixtrans-50.5-49.6177.9-178.7-110.6000111.8F194 P195 H196 P197 I204 Y217 M314F194-F200 HydrophobicContact CZ-CD2 4.5Å; F194-F200 HydrophobicContact CZ-CG 4.31Å; P195-F200 HydrophobicContact CG-CB 4Å; P195-F200 HydrophobicContact CG-CD2 4.39Å; H196-F200 PolarHBondContact O-N 3.2Å; H196-F200 VanDerWaalsContact O-N 3.11Å; P197-F200 WeakPolarHBondContact O-CB 3.27Å; P197-F200 PolarHBondContact O-N 3.49Å; F200-I204 HydrophobicContact CD1-CD1 4.15Å; F200-I204 HydrophobicContact CD2-CD1 3.87Å; F200-I204 HydrophobicContact CE1-CD1 3.64Å; F200-I204 HydrophobicContact CE2-CD1 3.33Å; F200-I204 HydrophobicContact CE2-CG1 4.36Å; F200-I204 HydrophobicContact CG-CD1 4.25Å; F200-I204 HydrophobicContact CZ-CD1 3.19Å; F200-I204 WeakPolarHBondContact O-CB 3.43Å; F200-I204 PolarHBondContact O-N 3.06Å; F200-I204 VanDerWaalsContact O-N 3.12Å; F200-Y217 HydrophobicContact CE1-CE1 4.33Å; F200-Y217 HydrophobicContact CZ-CE1 4.08Å; F200-Y217 AromaticContact CZ-CE2 3.82Å; F200-Y217 HydrophobicContact CZ-CE2 3.82Å; F200-Y217 AromaticContact CZ-CZ 3.55Å; F200-M314 HydrophobicContact CD2-SD 4.46Å
201T86.4Confident91.8Very high14 Ų1433.7 Ų33.79%0.08617%0.173CC..Hα-helixtrans-73.7-37-171.763.50000113.1P197 N198 V199 L205 L288P197-T201 WeakPolarHBondContact O-CG2 3.22Å; P197-T201 PolarHBondContact O-N 3.07Å; P197-T201 VanDerWaalsContact O-N 3.16Å; P197-T201 PolarHBondContact O-OG1 3.33Å; N198-T201 PolarHBondContact O-N 3.46Å; N198-T201 PolarHBondContact O-OG1 3.16Å; V199-T201 VanDerWaalsContact C-N 3.26Å; V199-T201 PolarHBondContact O-N 3.43Å; T201-L205 WeakPolarHBondContact O-CG 3.47Å; T201-L288 HydrophobicContact CG2-CD1 3.99Å; T201-L288 HydrophobicContact CG2-CD2 3.13Å; T201-L288 HydrophobicContact CG2-CG 4.16Å
202E87.1Confident91.5Very high54 Ų5439.2 Ų39.225%0.25220%0.202SC..Hα-helixtrans-76.6-36.6175.9-72.6-170.4-154.200112.4N198 V199 R206 H292N198-E202 WeakPolarHBondContact O-CB 3.36Å; N198-E202 WeakPolarHBondContact O-CG 3.34Å; N198-E202 PolarHBondContact O-N 3.36Å; V199-E202 PolarHBondContact O-N 3.43Å; E202-R206 IonicContact OE2-CZ 2.77Å; E202-R206 IonicContact OE2-NH1 3.79Å; E202-R206 PolarHBondContact OE2-NH1 3.36Å; E202-R206 IonicContact OE2-NH2 3.32Å; E202-H292 IonicContact OE1-CD2 2.96Å; E202-H292 IonicContact OE1-CE1 3.49Å; E202-H292 PolarHBondContact OE1-CE1 3.16Å; E202-H292 VanDerWaalsContact OE1-CE1 3.3Å; E202-H292 IonicContact OE1-NE2 3.1Å; E202-H292 PolarHBondContact OE1-NE2 2.74Å
203Y90.1Very high91.3Very high22 Ų2242.6 Ų42.69%0.08622%0.217CC..Hα-helixtrans-70.4-45.6-175.2-167.2-80.6000111V199 L205 R206 H207 Q210 E311 E313 M314V199-Y203 WeakPolarHBondContact O-CB 3.27Å; V199-Y203 PolarHBondContact O-N 3.33Å; Y203-L205 PolarHBondContact O-N 3.31Å; Y203-R206 PolarHBondContact O-N 2.76Å; Y203-H207 HydrophobicContact CD1-CB 3.81Å; Y203-H207 AromaticContact CD1-CG 3.66Å; Y203-H207 AromaticContact CD1-ND1 3.42Å; Y203-H207 WeakPolarHBondContact CD1-ND1 3.19Å; Y203-H207 AromaticContact CD2-CE1 3.43Å; Y203-H207 VanDerWaalsContact CD2-CE1 3.43Å; Y203-H207 WeakPolarHBondContact CD2-CE1 3.17Å; Y203-H207 AromaticContact CD2-ND1 3.55Å; Y203-H207 HydrophobicContact CE1-CB 3.43Å; Y203-H207 VanDerWaalsContact CE1-CB 3.43Å; Y203-H207 AromaticContact CE1-CD2 3.79Å; Y203-H207 AromaticContact CE1-CG 3.27Å; Y203-H207 AromaticContact CE1-ND1 3.48Å; Y203-H207 WeakPolarHBondContact CE1-ND1 3.41Å; Y203-H207 AromaticContact CE2-CD2 3.88Å; Y203-H207 AromaticContact CE2-CE1 3.35Å; Y203-H207 WeakPolarHBondContact CE2-CE1 3.49Å; Y203-H207 AromaticContact CE2-CG 3.94Å; Y203-H207 AromaticContact CE2-ND1 3.62Å; Y203-H207 AromaticContact CE2-NE2 3.54Å; Y203-H207 AromaticContact CG-CE1 3.83Å; Y203-H207 AromaticContact CG-ND1 3.43Å; Y203-H207 AromaticContact CZ-CD2 3.42Å; Y203-H207 VanDerWaalsContact CZ-CD2 3.42Å; Y203-H207 AromaticContact CZ-CE1 3.66Å; Y203-H207 AromaticContact CZ-CG 3.41Å; Y203-H207 VanDerWaalsContact CZ-CG 3.41Å; Y203-H207 AromaticContact CZ-ND1 3.56Å; Y203-H207 AromaticContact CZ-NE2 3.61Å; Y203-H207 PolarHBondContact O-N 3.03Å; Y203-H207 PolarHBondContact O-ND1 3.09Å; Y203-H207 PolarHBondContact OH-CD2 2.82Å; Y203-Q210 HydrophobicContact CD1-CB 3.92Å; Y203-Q210 HydrophobicContact CD1-CG 4.05Å; Y203-Q210 HydrophobicContact CE1-CB 3.86Å; Y203-Q210 HydrophobicContact CE1-CG 4.35Å; Y203-E311 HydrophobicContact CE1-CB 4.18Å; Y203-E311 WeakPolarHBondContact CE1-OE2 3.23Å; Y203-E313 HydrophobicContact CE2-CB 3.94Å; Y203-E313 WeakPolarHBondContact OH-CB 3.45Å; Y203-M314 HydrophobicContact CD1-CG 3.5Å; Y203-M314 VanDerWaalsContact CD1-CG 3.5Å; Y203-M314 HydrophobicContact CD1-SD 3.7Å; Y203-M314 HydrophobicContact CD2-CG 3.63Å; Y203-M314 HydrophobicContact CE1-CG 3.86Å; Y203-M314 HydrophobicContact CE1-SD 4.36Å; Y203-M314 HydrophobicContact CE2-CG 3.98Å; Y203-M314 HydrophobicContact CG-CG 3.39Å; Y203-M314 HydrophobicContact CG-SD 3.92Å
204I86.3Confident91.2Very high20 Ų2042.7 Ų42.710%0.10322%0.218CC..Hα-helixtrans-54-39176.9-83.1172.3000112.3F200 R206 Q210 L211F200-I204 HydrophobicContact CD1-CD1 4.15Å; F200-I204 HydrophobicContact CD2-CD1 3.87Å; F200-I204 HydrophobicContact CE1-CD1 3.64Å; F200-I204 HydrophobicContact CE2-CD1 3.33Å; F200-I204 HydrophobicContact CE2-CG1 4.36Å; F200-I204 HydrophobicContact CG-CD1 4.25Å; F200-I204 HydrophobicContact CZ-CD1 3.19Å; F200-I204 WeakPolarHBondContact O-CB 3.43Å; F200-I204 PolarHBondContact O-N 3.06Å; F200-I204 VanDerWaalsContact O-N 3.12Å; I204-R206 PolarHBondContact O-N 2.81Å; I204-Q210 HydrophobicContact CG1-CG 3.68Å; I204-L211 HydrophobicContact CG2-CD1 3.93Å
205L82.3Confident91Very high138 Ų13844.5 Ų44.572%0.72323%0.23SC*.THydrogen-bonded Turntrans-72.6-17.3-177.7-65.7175.6000113.3T201 Y203T201-L205 WeakPolarHBondContact O-CG 3.47Å; Y203-L205 PolarHBondContact O-N 3.31Å
206R87.1Confident91Very high172 Ų17246.1 Ų46.165%0.64924%0.237SC*.THydrogen-bonded Turntrans-111.5-15-174.9-64.3178.5-177.4134.81.6113.6E202 Y203 I204E202-R206 IonicContact OE2-CZ 2.77Å; E202-R206 IonicContact OE2-NH1 3.79Å; E202-R206 PolarHBondContact OE2-NH1 3.36Å; E202-R206 IonicContact OE2-NH2 3.32Å; Y203-R206 PolarHBondContact O-N 2.76Å; I204-R206 PolarHBondContact O-N 2.81Å
207H91.6Very high90.9Very high65 Ų6546.4 Ų46.430%0.30124%0.238SC..  trans-122.9103.5-173-59.582.4000111.1Y203 A209 Q210 L211Y203-H207 HydrophobicContact CD1-CB 3.81Å; Y203-H207 AromaticContact CD1-CG 3.66Å; Y203-H207 AromaticContact CD1-ND1 3.42Å; Y203-H207 WeakPolarHBondContact CD1-ND1 3.19Å; Y203-H207 AromaticContact CD2-CE1 3.43Å; Y203-H207 VanDerWaalsContact CD2-CE1 3.43Å; Y203-H207 WeakPolarHBondContact CD2-CE1 3.17Å; Y203-H207 AromaticContact CD2-ND1 3.55Å; Y203-H207 HydrophobicContact CE1-CB 3.43Å; Y203-H207 VanDerWaalsContact CE1-CB 3.43Å; Y203-H207 AromaticContact CE1-CD2 3.79Å; Y203-H207 AromaticContact CE1-CG 3.27Å; Y203-H207 AromaticContact CE1-ND1 3.48Å; Y203-H207 WeakPolarHBondContact CE1-ND1 3.41Å; Y203-H207 AromaticContact CE2-CD2 3.88Å; Y203-H207 AromaticContact CE2-CE1 3.35Å; Y203-H207 WeakPolarHBondContact CE2-CE1 3.49Å; Y203-H207 AromaticContact CE2-CG 3.94Å; Y203-H207 AromaticContact CE2-ND1 3.62Å; Y203-H207 AromaticContact CE2-NE2 3.54Å; Y203-H207 AromaticContact CG-CE1 3.83Å; Y203-H207 AromaticContact CG-ND1 3.43Å; Y203-H207 AromaticContact CZ-CD2 3.42Å; Y203-H207 VanDerWaalsContact CZ-CD2 3.42Å; Y203-H207 AromaticContact CZ-CE1 3.66Å; Y203-H207 AromaticContact CZ-CG 3.41Å; Y203-H207 VanDerWaalsContact CZ-CG 3.41Å; Y203-H207 AromaticContact CZ-ND1 3.56Å; Y203-H207 AromaticContact CZ-NE2 3.61Å; Y203-H207 PolarHBondContact O-N 3.03Å; Y203-H207 PolarHBondContact O-ND1 3.09Å; Y203-H207 PolarHBondContact OH-CD2 2.82Å; H207-A209 PolarHBondContact O-N 2.99Å; H207-Q210 HydrophobicContact CB-CB 4.25Å; H207-Q210 PolarHBondContact O-N 3.09Å; H207-L211 PolarHBondContact O-N 3.17Å
208P91.5Very high91Very high106 Ų10647.5 Ų47.569%0.68824%0.242SC*.Hα-helixtrans-59.4-32.2-178.7-26.535.1000114.2L211 L212P208-L211 PolarHBondContact O-N 3.19Å; P208-L212 WeakPolarHBondContact O-CB 3.26Å; P208-L212 PolarHBondContact O-N 3.37Å
209A93Very high91.3Very high49 Ų4947.6 Ų47.641%0.40524%0.242SC..Hα-helixtrans-63.8-51177.300000111.2H207 L211 L212 K213 E311H207-A209 PolarHBondContact O-N 2.99Å; A209-L211 VanDerWaalsContact C-N 3.34Å; A209-L211 PolarHBondContact O-N 3.05Å; A209-L212 PolarHBondContact O-N 3.4Å; A209-K213 PolarHBondContact O-N 2.71Å; A209-E311 WeakPolarHBondContact CB-OE1 3.33Å
210Q94.3Very high91.6Very high0 Ų047.8 Ų47.80%024%0.243CC..Hα-helixtrans-61.1-38.6172.1-173.155.544.300113.2Y203 I204 H207 L212 K213 S214 F309 E311 M314Y203-Q210 HydrophobicContact CD1-CB 3.92Å; Y203-Q210 HydrophobicContact CD1-CG 4.05Å; Y203-Q210 HydrophobicContact CE1-CB 3.86Å; Y203-Q210 HydrophobicContact CE1-CG 4.35Å; I204-Q210 HydrophobicContact CG1-CG 3.68Å; H207-Q210 HydrophobicContact CB-CB 4.25Å; H207-Q210 PolarHBondContact O-N 3.09Å; Q210-L212 VanDerWaalsContact C-N 3.29Å; Q210-L212 PolarHBondContact O-N 2.84Å; Q210-K213 PolarHBondContact O-N 3.47Å; Q210-S214 PolarHBondContact NE2-OG 2.97Å; Q210-S214 VanDerWaalsContact O-CB 3.29Å; Q210-S214 WeakPolarHBondContact O-CB 3.45Å; Q210-S214 PolarHBondContact O-N 3.43Å; Q210-S214 PolarHBondContact O-OG 3.21Å; Q210-F309 PolarHBondContact NE2-O 3.02Å; Q210-E311 HydrophobicContact CB-CG 4.39Å; Q210-E311 WeakPolarHBondContact CB-OE2 2.96Å; Q210-E311 PolarHBondContact N-OE2 3.42Å; Q210-E311 VanDerWaalsContact N-OE2 3.14Å; Q210-M314 HydrophobicContact CG-CE 3.89Å; Q210-M314 HydrophobicContact CG-SD 4.15Å
211L90.9Very high91.8Very high56 Ų5649 Ų4929%0.29325%0.249SC..Hα-helixtrans-59-42.8175.7-179.764.9000111.2Y27 I204 H207 P208 A209 S214 S215 Y218Y27-L211 HydrophobicContact CE1-CD1 4.49Å; I204-L211 HydrophobicContact CG2-CD1 3.93Å; H207-L211 PolarHBondContact O-N 3.17Å; P208-L211 PolarHBondContact O-N 3.19Å; A209-L211 VanDerWaalsContact C-N 3.34Å; A209-L211 PolarHBondContact O-N 3.05Å; L211-S214 CarbonylContact O-C 3.55Å; L211-S214 PolarHBondContact O-N 3.23Å; L211-S215 PolarHBondContact O-N 3.46Å; L211-Y218 HydrophobicContact CD1-CE2 3.91Å; L211-Y218 WeakPolarHBondContact CD1-OH 3.31Å
212L92.1Very high92.2Very high116 Ų11649.9 Ų49.961%0.60725%0.252SS*.Hα-helixtrans-66.6-44.9176.5-177.162.9000112P208 A209 Q210 S214 S215P208-L212 WeakPolarHBondContact O-CB 3.26Å; P208-L212 PolarHBondContact O-N 3.37Å; A209-L212 PolarHBondContact O-N 3.4Å; Q210-L212 VanDerWaalsContact C-N 3.29Å; Q210-L212 PolarHBondContact O-N 2.84Å; L212-S214 PolarHBondContact O-N 2.97Å; L212-S215 VanDerWaalsContact O-CB 3.23Å; L212-S215 WeakPolarHBondContact O-CB 3.42Å; L212-S215 PolarHBondContact O-N 2.99Å; L212-S215 VanDerWaalsContact O-N 3.08Å; L212-S215 PolarHBondContact O-OG 2.97Å
213K93.9Very high92.5Very high72 Ų7251.3 Ų51.331%0.31327%0.267SS..Hα-helixtrans-56.2-34.5172.2-72.4-174.7177.5-173.10111.3A209 Q210 S215 Y216 D307 E311A209-K213 PolarHBondContact O-N 2.71Å; Q210-K213 PolarHBondContact O-N 3.47Å; K213-S215 VanDerWaalsContact C-N 3.34Å; K213-S215 PolarHBondContact O-N 3.46Å; K213-Y216 WeakPolarHBondContact O-CD1 3.42Å; K213-Y216 WeakPolarHBondContact O-CE1 3.44Å; K213-D307 PolarHBondContact NZ-O 2.79Å; K213-E311 HydrophobicContact CD-CG 4.16Å
214S93.9Very high92.7Very high1 Ų158.7 Ų58.71%0.00729%0.294CS..THydrogen-bonded Turntrans-87.37.9-179.7-49.40000114.3Q210 L211 L212 Y216 Y217Q210-S214 PolarHBondContact NE2-OG 2.97Å; Q210-S214 VanDerWaalsContact O-CB 3.29Å; Q210-S214 WeakPolarHBondContact O-CB 3.45Å; Q210-S214 PolarHBondContact O-N 3.43Å; Q210-S214 PolarHBondContact O-OG 3.21Å; L211-S214 CarbonylContact O-C 3.55Å; L211-S214 PolarHBondContact O-N 3.23Å; L212-S214 PolarHBondContact O-N 2.97Å; S214-Y216 PolarHBondContact O-N 3.09Å; S214-Y217 WeakPolarHBondContact O-CB 3.45Å; S214-Y217 PolarHBondContact O-N 3.06Å
215S94Very high93.3Very high38 Ų3858.5 Ų58.527%0.26629%0.293SS..Hα-helixtrans-55.3-27.3-179.4560000113.8Y27 L211 L212 K213 Y217 Y218 F219Y27-S215 WeakPolarHBondContact OH-CB 3.38Å; L211-S215 PolarHBondContact O-N 3.46Å; L212-S215 VanDerWaalsContact O-CB 3.23Å; L212-S215 WeakPolarHBondContact O-CB 3.42Å; L212-S215 PolarHBondContact O-N 2.99Å; L212-S215 VanDerWaalsContact O-N 3.08Å; L212-S215 PolarHBondContact O-OG 2.97Å; K213-S215 VanDerWaalsContact C-N 3.34Å; K213-S215 PolarHBondContact O-N 3.46Å; S215-Y217 VanDerWaalsContact C-N 3.3Å; S215-Y217 PolarHBondContact O-N 2.85Å; S215-Y218 PolarHBondContact O-N 3.13Å; S215-Y218 VanDerWaalsContact O-N 3.15Å; S215-F219 PolarHBondContact O-N 2.88Å; S215-F219 VanDerWaalsContact O-N 3.09Å
216Y94.5Very high94Very high35 Ų3551.9 Ų51.914%0.13726%0.258CS..Hα-helixtrans-63.5-30.2175.165.8-88.8000113.4K213 S214 Y218 F219 F220 Y281 F309K213-Y216 WeakPolarHBondContact O-CD1 3.42Å; K213-Y216 WeakPolarHBondContact O-CE1 3.44Å; S214-Y216 PolarHBondContact O-N 3.09Å; Y216-Y218 PolarHBondContact O-N 3.29Å; Y216-F219 PolarHBondContact O-N 2.79Å; Y216-F220 HydrophobicContact CD2-CD2 4.27Å; Y216-F220 AromaticContact CD2-CE2 3.96Å; Y216-F220 HydrophobicContact CD2-CE2 3.96Å; Y216-F220 HydrophobicContact CD2-CZ 4.49Å; Y216-F220 WeakPolarHBondContact O-CB 3.03Å; Y216-F220 WeakPolarHBondContact O-CD1 3.33Å; Y216-F220 WeakPolarHBondContact O-CG 3.49Å; Y216-F220 PolarHBondContact O-N 3.44Å; Y216-Y281 HydrophobicContact CD2-CE1 4.03Å; Y216-Y281 HydrophobicContact CE2-CD1 4.4Å; Y216-Y281 AromaticContact CE2-CE1 3.56Å; Y216-Y281 HydrophobicContact CE2-CE1 3.56Å; Y216-F309 HydrophobicContact CE1-CD1 4.01Å
217Y94.3Very high94.5Very high5 Ų544.7 Ų44.72%0.0223%0.232CC..Hα-helixtrans-57.8-36.4173.7-82.9-99.6000111.7W170 F200 S214 S215 Q221 Y281 I284W170-Y217 HydrophobicContact CZ2-CE1 4Å; F200-Y217 HydrophobicContact CE1-CE1 4.33Å; F200-Y217 HydrophobicContact CZ-CE1 4.08Å; F200-Y217 AromaticContact CZ-CE2 3.82Å; F200-Y217 HydrophobicContact CZ-CE2 3.82Å; F200-Y217 AromaticContact CZ-CZ 3.55Å; S214-Y217 WeakPolarHBondContact O-CB 3.45Å; S214-Y217 PolarHBondContact O-N 3.06Å; S215-Y217 VanDerWaalsContact C-N 3.3Å; S215-Y217 PolarHBondContact O-N 2.85Å; Y217-Q221 WeakPolarHBondContact O-CG 3.48Å; Y217-Q221 PolarHBondContact O-NE2 2.93Å; Y217-Y281 AromaticContact CD1-CD1 3.55Å; Y217-Y281 HydrophobicContact CD1-CD1 3.55Å; Y217-Y281 HydrophobicContact CD1-CE1 4.16Å; Y217-Y281 HydrophobicContact CD2-CD1 4.44Å; Y217-Y281 HydrophobicContact CD2-CE1 4.42Å; Y217-Y281 AromaticContact CE1-CD1 3.5Å; Y217-Y281 HydrophobicContact CE1-CD1 3.5Å; Y217-Y281 AromaticContact CE1-CE1 3.79Å; Y217-Y281 HydrophobicContact CE1-CE1 3.79Å; Y217-Y281 HydrophobicContact CE2-CD1 4.42Å; Y217-Y281 HydrophobicContact CE2-CE1 4.09Å; Y217-Y281 HydrophobicContact CG-CD1 4.03Å; Y217-Y281 HydrophobicContact CG-CE1 4.45Å; Y217-Y281 AromaticContact CZ-CD1 3.94Å; Y217-Y281 AromaticContact CZ-CE1 3.73Å; Y217-I284 HydrophobicContact CD1-CG1 4.39Å; Y217-I284 HydrophobicContact CD1-CG2 4.02Å; Y217-I284 HydrophobicContact CE1-CG1 4.18Å
218Y95.1Very high94.8Very high23 Ų2344.3 Ų44.39%0.0923%0.23CC..Hα-helixtrans-80.6-42.2179.5-62.5-92.8000111.5V24 Y27 C28 L211 S215 Y216 F220 Q221 F285V24-Y218 HydrophobicContact CG1-CD1 4.21Å; V24-Y218 HydrophobicContact CG1-CE1 4.25Å; V24-Y218 HydrophobicContact CG2-CE1 4.33Å; Y27-Y218 AromaticContact CD1-CD1 3.56Å; Y27-Y218 HydrophobicContact CD1-CD1 3.56Å; Y27-Y218 AromaticContact CD1-CD2 3.34Å; Y27-Y218 HydrophobicContact CD1-CD2 3.34Å; Y27-Y218 AromaticContact CD1-CE1 3.77Å; Y27-Y218 HydrophobicContact CD1-CE1 3.77Å; Y27-Y218 AromaticContact CD1-CE2 3.58Å; Y27-Y218 HydrophobicContact CD1-CE2 3.58Å; Y27-Y218 AromaticContact CD1-CG 3.31Å; Y27-Y218 HydrophobicContact CD1-CG 3.31Å; Y27-Y218 AromaticContact CD1-CZ 3.78Å; Y27-Y218 HydrophobicContact CE1-CD1 4.46Å; Y27-Y218 AromaticContact CE1-CD2 3.41Å; Y27-Y218 HydrophobicContact CE1-CD2 3.41Å; Y27-Y218 VanDerWaalsContact CE1-CD2 3.41Å; Y27-Y218 AromaticContact CE1-CE2 3.63Å; Y27-Y218 HydrophobicContact CE1-CE2 3.63Å; Y27-Y218 AromaticContact CE1-CG 3.85Å; Y27-Y218 HydrophobicContact CE1-CG 3.85Å; Y27-Y218 HydrophobicContact CG-CD1 4.34Å; Y27-Y218 HydrophobicContact CG-CG 4.33Å; C28-Y218 PolarHBondContact SG-O 2.87Å; L211-Y218 HydrophobicContact CD1-CE2 3.91Å; L211-Y218 WeakPolarHBondContact CD1-OH 3.31Å; S215-Y218 PolarHBondContact O-N 3.13Å; S215-Y218 VanDerWaalsContact O-N 3.15Å; Y216-Y218 PolarHBondContact O-N 3.29Å; Y218-F220 PolarHBondContact O-N 3.21Å; Y218-Q221 WeakPolarHBondContact O-CB 3.42Å; Y218-Q221 PolarHBondContact O-N 3Å; Y218-Q221 VanDerWaalsContact O-N 3.11Å; Y218-F285 HydrophobicContact CD1-CE2 4.21Å; Y218-F285 AromaticContact CD1-CZ 3.81Å; Y218-F285 HydrophobicContact CD1-CZ 3.81Å; Y218-F285 HydrophobicContact CD2-CZ 4.42Å; Y218-F285 HydrophobicContact CE1-CE1 4.03Å; Y218-F285 HydrophobicContact CE1-CE2 4.29Å; Y218-F285 AromaticContact CE1-CZ 3.54Å; Y218-F285 HydrophobicContact CE1-CZ 3.54Å; Y218-F285 HydrophobicContact CE2-CZ 4.19Å; Y218-F285 HydrophobicContact CG-CZ 4.25Å; Y218-F285 AromaticContact CZ-CZ 3.76Å
219F96.8Very high95Very high5 Ų539.8 Ų39.82%0.02220%0.2CC..Hα-helixtrans-54.5-42171.5178.5-121.2000111.4C31 H35 S215 Y216 Q221 I222 F225 P226 M229C31-F219 HydrophobicContact CB-CB 4.04Å; H35-F219 HydrophobicContact CB-CD2 4.1Å; H35-F219 HydrophobicContact CB-CE2 3.51Å; H35-F219 HydrophobicContact CB-CZ 3.96Å; H35-F219 AromaticContact CD2-CD2 3.55Å; H35-F219 AromaticContact CD2-CE2 3.77Å; H35-F219 AromaticContact CD2-CG 3.78Å; H35-F219 AromaticContact CE1-CD1 3.95Å; H35-F219 AromaticContact CE1-CE1 3.85Å; H35-F219 AromaticContact CG-CD2 3.76Å; H35-F219 AromaticContact CG-CE2 3.46Å; H35-F219 VanDerWaalsContact CG-CE2 3.46Å; H35-F219 AromaticContact CG-CZ 3.67Å; H35-F219 AromaticContact ND1-CE1 3.82Å; H35-F219 AromaticContact ND1-CE2 3.97Å; H35-F219 AromaticContact ND1-CZ 3.68Å; H35-F219 AromaticContact NE2-CD1 3.92Å; H35-F219 AromaticContact NE2-CG 3.9Å; S215-F219 PolarHBondContact O-N 2.88Å; S215-F219 VanDerWaalsContact O-N 3.09Å; Y216-F219 PolarHBondContact O-N 2.79Å; F219-Q221 PolarHBondContact O-N 3.15Å; F219-Q221 VanDerWaalsContact O-N 3.17Å; F219-I222 HydrophobicContact CD2-CD1 3.7Å; F219-I222 HydrophobicContact CE2-CD1 4.08Å; F219-I222 WeakPolarHBondContact O-CB 3.35Å; F219-I222 WeakPolarHBondContact O-CD1 3.07Å; F219-I222 VanDerWaalsContact O-CG1 3.3Å; F219-I222 WeakPolarHBondContact O-CG1 3.38Å; F219-I222 PolarHBondContact O-N 2.81Å; F219-I222 VanDerWaalsContact O-N 3.13Å; F219-F225 AromaticContact CE2-CD1 3.59Å; F219-F225 HydrophobicContact CE2-CD1 3.59Å; F219-F225 AromaticContact CE2-CE1 3.74Å; F219-F225 HydrophobicContact CE2-CE1 3.74Å; F219-F225 HydrophobicContact CE2-CG 4.35Å; F219-F225 HydrophobicContact CZ-CD1 4.25Å; F219-F225 HydrophobicContact CZ-CE1 4.45Å; F219-P226 HydrophobicContact CD1-CB 4.28Å; F219-P226 HydrophobicContact CD1-CG 4.31Å; F219-P226 HydrophobicContact CE1-CB 3.79Å; F219-P226 HydrophobicContact CE1-CG 4.06Å; F219-P226 HydrophobicContact CE2-CG 4.47Å; F219-P226 HydrophobicContact CZ-CB 4.15Å; F219-P226 HydrophobicContact CZ-CG 4.12Å; F219-P226 WeakPolarHBondContact O-CG 3.4Å; F219-M229 HydrophobicContact CE1-CB 4.41Å; F219-M229 HydrophobicContact CZ-CB 3.97Å; F219-M229 HydrophobicContact CZ-CG 3.82Å
220F97.1Very high95.2Very high7 Ų738 Ų383%0.03118%0.182CC..THydrogen-bonded Turntrans-67.4-13.7-179-71.2-0.9000114.9F102 Y216 Y218 I222 P226 F230 I278 Y281 R282F102-F220 HydrophobicContact CD1-CE2 4.23Å; F102-F220 AromaticContact CE1-CE2 3.62Å; F102-F220 HydrophobicContact CE1-CE2 3.62Å; F102-F220 AromaticContact CE1-CZ 3.7Å; F102-F220 HydrophobicContact CE1-CZ 3.7Å; F102-F220 AromaticContact CZ-CE2 3.88Å; F102-F220 HydrophobicContact CZ-CE2 3.88Å; F102-F220 AromaticContact CZ-CZ 3.89Å; F102-F220 HydrophobicContact CZ-CZ 3.89Å; Y216-F220 HydrophobicContact CD2-CD2 4.27Å; Y216-F220 AromaticContact CD2-CE2 3.96Å; Y216-F220 HydrophobicContact CD2-CE2 3.96Å; Y216-F220 HydrophobicContact CD2-CZ 4.49Å; Y216-F220 WeakPolarHBondContact O-CB 3.03Å; Y216-F220 WeakPolarHBondContact O-CD1 3.33Å; Y216-F220 WeakPolarHBondContact O-CG 3.49Å; Y216-F220 PolarHBondContact O-N 3.44Å; Y218-F220 PolarHBondContact O-N 3.21Å; F220-I222 PolarHBondContact O-N 3.24Å; F220-P226 HydrophobicContact CD1-CB 3.69Å; F220-P226 HydrophobicContact CD1-CG 4.08Å; F220-P226 HydrophobicContact CE1-CB 4.13Å; F220-F230 AromaticContact CE1-CE2 3.78Å; F220-F230 HydrophobicContact CE1-CE2 3.78Å; F220-F230 AromaticContact CZ-CE2 3.75Å; F220-F230 HydrophobicContact CZ-CE2 3.75Å; F220-F230 HydrophobicContact CZ-CZ 4.1Å; F220-I278 HydrophobicContact CB-CG2 4.17Å; F220-I278 HydrophobicContact CG-CG2 4.44Å; F220-Y281 HydrophobicContact CB-CG 4.39Å; F220-Y281 AromaticContact CD2-CD1 3.92Å; F220-Y281 HydrophobicContact CD2-CD1 3.92Å; F220-Y281 AromaticContact CD2-CD2 3.5Å; F220-Y281 HydrophobicContact CD2-CD2 3.5Å; F220-Y281 HydrophobicContact CD2-CE1 4.21Å; F220-Y281 AromaticContact CD2-CE2 3.75Å; F220-Y281 HydrophobicContact CD2-CE2 3.75Å; F220-Y281 AromaticContact CD2-CG 3.56Å; F220-Y281 HydrophobicContact CD2-CG 3.56Å; F220-Y281 AromaticContact CE2-CD2 3.99Å; F220-Y281 HydrophobicContact CE2-CD2 3.99Å; F220-Y281 HydrophobicContact CE2-CE1 4.38Å; F220-Y281 AromaticContact CE2-CE2 3.74Å; F220-Y281 HydrophobicContact CE2-CE2 3.74Å; F220-Y281 HydrophobicContact CE2-CG 4.36Å; F220-Y281 AromaticContact CE2-CZ 3.93Å; F220-Y281 HydrophobicContact CG-CG 4.48Å; F220-R282 VanDerWaalsContact O-CG 3.31Å; F220-R282 WeakPolarHBondContact O-CG 3.47Å; F220-R282 PolarHBondContact O-NE 3.08Å; F220-R282 VanDerWaalsContact O-NE 3.1Å
221Q95.6Very high95.3Very high32 Ų3238.4 Ų38.415%0.1519%0.186CC..THydrogen-bonded Turntrans-72.5-19.5173.7-54.5-52.2-54.700112.9Y217 Y218 F219 P223 Y281 R282 F285Y217-Q221 WeakPolarHBondContact O-CG 3.48Å; Y217-Q221 PolarHBondContact O-NE2 2.93Å; Y218-Q221 WeakPolarHBondContact O-CB 3.42Å; Y218-Q221 PolarHBondContact O-N 3Å; Y218-Q221 VanDerWaalsContact O-N 3.11Å; F219-Q221 PolarHBondContact O-N 3.15Å; F219-Q221 VanDerWaalsContact O-N 3.17Å; Q221-P223 WeakPolarHBondContact O-CD 3.32Å; Q221-Y281 PolarHBondContact NE2-O 3.24Å; Q221-R282 PolarHBondContact OE1-O 2.92Å; Q221-F285 HydrophobicContact CG-CD2 4.23Å; Q221-F285 HydrophobicContact CG-CE2 3.79Å
222I95.2Very high95.6Very high31 Ų3136.1 Ų36.116%0.15917%0.173CC..SBendtrans-72.2126.6-177-52.8164.5000108.4A32 F219 F220 W224 F225 P226 R282A32-I222 HydrophobicContact CB-CD1 3.3Å; A32-I222 HydrophobicContact CB-CG1 4.39Å; F219-I222 HydrophobicContact CD2-CD1 3.7Å; F219-I222 HydrophobicContact CE2-CD1 4.08Å; F219-I222 WeakPolarHBondContact O-CB 3.35Å; F219-I222 WeakPolarHBondContact O-CD1 3.07Å; F219-I222 VanDerWaalsContact O-CG1 3.3Å; F219-I222 WeakPolarHBondContact O-CG1 3.38Å; F219-I222 PolarHBondContact O-N 2.81Å; F219-I222 VanDerWaalsContact O-N 3.13Å; F220-I222 PolarHBondContact O-N 3.24Å; I222-W224 PolarHBondContact O-N 3.45Å; I222-F225 HydrophobicContact CB-CB 4.29Å; I222-F225 HydrophobicContact CD1-CD1 4.06Å; I222-F225 HydrophobicContact CG2-CB 3.68Å; I222-F225 HydrophobicContact CG2-CD1 4.21Å; I222-F225 HydrophobicContact CG2-CG 4.43Å; I222-P226 WeakPolarHBondContact O-CD 3.42Å; I222-R282 PolarHBondContact O-NH2 2.77Å; I222-R282 VanDerWaalsContact O-NH2 3.17Å
223P93.1Very high95.8Very high85 Ų8532.2 Ų32.255%0.55215%0.153SC*.SBendtrans-58.1136.3175.8-24.234.4000110.6Q221 F225Q221-P223 WeakPolarHBondContact O-CD 3.32Å; P223-F225 PolarHBondContact O-N 2.81Å
224W94.8Very high95.9Very high176 Ų17629.8 Ų29.867%0.66714%0.144SC*.SBendtrans55.9-23.6173.662.9-100.3000118.1I222 E227 F228I222-W224 PolarHBondContact O-N 3.45Å; W224-E227 VanDerWaalsContact CA-OE2 3.31Å; W224-E227 WeakPolarHBondContact CA-OE2 3.46Å; W224-E227 PolarHBondContact O-N 3.09Å; W224-F228 HydrophobicContact CE3-CB 4.36Å; W224-F228 WeakPolarHBondContact O-CB 3.46Å; W224-F228 PolarHBondContact O-N 3.35Å
225F97.4Very high96.1Very high16 Ų1630.1 Ų30.17%0.0715%0.145CC..Hα-helixtrans-70.5-40.7-171.1-173.8-141.4000113.2H35 L36 L39 F219 I222 P223 F228 M229H35-F225 HydrophobicContact CB-CE1 3.91Å; H35-F225 HydrophobicContact CB-CZ 4.07Å; L36-F225 HydrophobicContact CB-CZ 4.33Å; L39-F225 HydrophobicContact CD2-CE2 4.36Å; F219-F225 AromaticContact CE2-CD1 3.59Å; F219-F225 HydrophobicContact CE2-CD1 3.59Å; F219-F225 AromaticContact CE2-CE1 3.74Å; F219-F225 HydrophobicContact CE2-CE1 3.74Å; F219-F225 HydrophobicContact CE2-CG 4.35Å; F219-F225 HydrophobicContact CZ-CD1 4.25Å; F219-F225 HydrophobicContact CZ-CE1 4.45Å; I222-F225 HydrophobicContact CB-CB 4.29Å; I222-F225 HydrophobicContact CD1-CD1 4.06Å; I222-F225 HydrophobicContact CG2-CB 3.68Å; I222-F225 HydrophobicContact CG2-CD1 4.21Å; I222-F225 HydrophobicContact CG2-CG 4.43Å; P223-F225 PolarHBondContact O-N 2.81Å; F225-F228 HydrophobicContact CD2-CD1 4.07Å; F225-F228 HydrophobicContact CE2-CD1 4.2Å; F225-F228 PolarHBondContact O-N 3.48Å; F225-M229 HydrophobicContact CD2-CG 3.87Å; F225-M229 HydrophobicContact CE2-CG 3.53Å; F225-M229 HydrophobicContact CE2-SD 3.67Å; F225-M229 HydrophobicContact CZ-CG 3.92Å; F225-M229 HydrophobicContact CZ-SD 4.04Å; F225-M229 WeakPolarHBondContact O-CB 3.3Å; F225-M229 VanDerWaalsContact O-CG 3.31Å; F225-M229 WeakPolarHBondContact O-CG 3.46Å; F225-M229 PolarHBondContact O-N 2.92Å
226P97.8Very high96.2Very high0 Ų034.8 Ų34.80%016%0.16CC..Hα-helixtrans-60.2-47.6171.5-24.135.9000112.6F219 F220 I222 F228 M229 F230 I278F219-P226 HydrophobicContact CD1-CB 4.28Å; F219-P226 HydrophobicContact CD1-CG 4.31Å; F219-P226 HydrophobicContact CE1-CB 3.79Å; F219-P226 HydrophobicContact CE1-CG 4.06Å; F219-P226 HydrophobicContact CE2-CG 4.47Å; F219-P226 HydrophobicContact CZ-CB 4.15Å; F219-P226 HydrophobicContact CZ-CG 4.12Å; F219-P226 WeakPolarHBondContact O-CG 3.4Å; F220-P226 HydrophobicContact CD1-CB 3.69Å; F220-P226 HydrophobicContact CD1-CG 4.08Å; F220-P226 HydrophobicContact CE1-CB 4.13Å; I222-P226 WeakPolarHBondContact O-CD 3.42Å; P226-F228 VanDerWaalsContact C-N 3.28Å; P226-F228 PolarHBondContact O-N 2.89Å; P226-M229 PolarHBondContact O-N 2.84Å; P226-M229 VanDerWaalsContact O-N 3.17Å; P226-F230 WeakPolarHBondContact O-CD2 3.48Å; P226-F230 PolarHBondContact O-N 3.37Å; P226-I278 HydrophobicContact CB-CD1 3.95Å
227E97.6Very high96.3Very high20 Ų2036 Ų369%0.09317%0.172CC..Hα-helixtrans-55.7-46.8176.1-65.891.2148.600110.9W224 F230 S231 L274 S275 I278 R282W224-E227 VanDerWaalsContact CA-OE2 3.31Å; W224-E227 WeakPolarHBondContact CA-OE2 3.46Å; W224-E227 PolarHBondContact O-N 3.09Å; E227-F230 PolarHBondContact O-N 3.44Å; E227-S231 PolarHBondContact O-N 3.09Å; E227-S231 VanDerWaalsContact O-N 3.17Å; E227-S231 PolarHBondContact O-OG 3.15Å; E227-L274 HydrophobicContact CB-CB 4.23Å; E227-L274 HydrophobicContact CG-CB 3.89Å; E227-S275 PolarHBondContact OE1-OG 3.11Å; E227-S275 VanDerWaalsContact OE1-OG 3.14Å; E227-I278 HydrophobicContact CG-CD1 3.74Å; E227-R282 VanDerWaalsContact CD-NH2 3.25Å; E227-R282 IonicContact OE1-CZ 3.7Å; E227-R282 VanDerWaalsContact OE1-CZ 3.28Å; E227-R282 IonicContact OE1-NH1 3.79Å; E227-R282 PolarHBondContact OE1-NH1 3.04Å; E227-R282 IonicContact OE1-NH2 2.92Å; E227-R282 PolarHBondContact OE1-NH2 3.32Å; E227-R282 IonicContact OE2-CZ 3.1Å; E227-R282 IonicContact OE2-NH2 3.81Å; E227-R282 PolarHBondContact OE2-NH2 3.38Å
228F97.2Very high96.4Very high57 Ų5735.8 Ų35.825%0.2517%0.171CC..Hα-helixtrans-60-48.7176.1173.6-99.5000112.1L39 F51 W224 F225 P226 F230 S231 I232L39-F228 HydrophobicContact CD1-CE1 3.95Å; L39-F228 HydrophobicContact CD1-CZ 4.37Å; L39-F228 HydrophobicContact CD2-CE1 3.76Å; L39-F228 HydrophobicContact CD2-CZ 4.47Å; F51-F228 HydrophobicContact CE1-CE2 4.04Å; F51-F228 AromaticContact CE1-CZ 3.76Å; F51-F228 HydrophobicContact CE1-CZ 3.76Å; W224-F228 HydrophobicContact CE3-CB 4.36Å; W224-F228 WeakPolarHBondContact O-CB 3.46Å; W224-F228 PolarHBondContact O-N 3.35Å; F225-F228 HydrophobicContact CD2-CD1 4.07Å; F225-F228 HydrophobicContact CE2-CD1 4.2Å; F225-F228 PolarHBondContact O-N 3.48Å; P226-F228 VanDerWaalsContact C-N 3.28Å; P226-F228 PolarHBondContact O-N 2.89Å; F228-F230 VanDerWaalsContact C-N 3.29Å; F228-F230 PolarHBondContact O-N 3.39Å; F228-S231 PolarHBondContact O-N 3.3Å; F228-S231 PolarHBondContact O-OG 3.26Å; F228-I232 HydrophobicContact CD1-CG2 4.49Å; F228-I232 HydrophobicContact CD2-CG2 4.48Å; F228-I232 HydrophobicContact CE1-CG2 4.09Å; F228-I232 HydrophobicContact CE2-CG2 4.07Å; F228-I232 HydrophobicContact CZ-CG2 3.89Å; F228-I232 PolarHBondContact O-N 3.26Å
229M97.5Very high96.4Very high12 Ų1237.1 Ų37.16%0.05918%0.177CC..Hα-helixtrans-64.7-29.8179.8-72.8-59.7-67.100113.5H35 L39 F219 F225 P226 S231 I232H35-M229 HydrophobicContact CB-CE 4.4Å; H35-M229 WeakPolarHBondContact O-CE 3.22Å; L39-M229 HydrophobicContact CB-CE 4.3Å; L39-M229 HydrophobicContact CB-SD 4Å; L39-M229 HydrophobicContact CD1-SD 4.37Å; F219-M229 HydrophobicContact CE1-CB 4.41Å; F219-M229 HydrophobicContact CZ-CB 3.97Å; F219-M229 HydrophobicContact CZ-CG 3.82Å; F225-M229 HydrophobicContact CD2-CG 3.87Å; F225-M229 HydrophobicContact CE2-CG 3.53Å; F225-M229 HydrophobicContact CE2-SD 3.67Å; F225-M229 HydrophobicContact CZ-CG 3.92Å; F225-M229 HydrophobicContact CZ-SD 4.04Å; F225-M229 WeakPolarHBondContact O-CB 3.3Å; F225-M229 VanDerWaalsContact O-CG 3.31Å; F225-M229 WeakPolarHBondContact O-CG 3.46Å; F225-M229 PolarHBondContact O-N 2.92Å; P226-M229 PolarHBondContact O-N 2.84Å; P226-M229 VanDerWaalsContact O-N 3.17Å; M229-S231 VanDerWaalsContact C-N 3.34Å; M229-I232 HydrophobicContact CE-CD1 3.94Å; M229-I232 VanDerWaalsContact O-CG1 3.32Å; M229-I232 WeakPolarHBondContact O-CG1 3.16Å; M229-I232 HydrophobicContact SD-CD1 3.85Å
230F96.8Very high96.4Very high10 Ų1041.8 Ų41.84%0.04420%0.199CC..Hα-helixtrans-68.8-34.8171.7-96.2-101.3000112.1F102 F220 P226 E227 F228 F235 V237 L238 L241 L274F102-F230 HydrophobicContact CE1-CE1 4.38Å; F102-F230 AromaticContact CE1-CZ 3.85Å; F102-F230 HydrophobicContact CE1-CZ 3.85Å; F102-F230 HydrophobicContact CZ-CE1 4.06Å; F102-F230 HydrophobicContact CZ-CE2 4.29Å; F102-F230 AromaticContact CZ-CZ 3.71Å; F102-F230 HydrophobicContact CZ-CZ 3.71Å; F220-F230 AromaticContact CE1-CE2 3.78Å; F220-F230 HydrophobicContact CE1-CE2 3.78Å; F220-F230 AromaticContact CZ-CE2 3.75Å; F220-F230 HydrophobicContact CZ-CE2 3.75Å; F220-F230 HydrophobicContact CZ-CZ 4.1Å; P226-F230 WeakPolarHBondContact O-CD2 3.48Å; P226-F230 PolarHBondContact O-N 3.37Å; E227-F230 PolarHBondContact O-N 3.44Å; F228-F230 VanDerWaalsContact C-N 3.29Å; F228-F230 PolarHBondContact O-N 3.39Å; F230-F235 WeakPolarHBondContact O-CA 3.33Å; F230-F235 WeakPolarHBondContact O-CD1 3.21Å; F230-V237 HydrophobicContact CD1-CG1 4.46Å; F230-V237 HydrophobicContact CE1-CG1 4.19Å; F230-V237 HydrophobicContact CE2-CG1 4.35Å; F230-V237 HydrophobicContact CZ-CG1 4.13Å; F230-L238 HydrophobicContact CD1-CB 4.45Å; F230-L238 HydrophobicContact CE1-CD1 4.4Å; F230-L241 HydrophobicContact CE1-CD1 3.93Å; F230-L241 HydrophobicContact CZ-CD1 4.01Å; F230-L274 HydrophobicContact CB-CD1 3.67Å; F230-L274 HydrophobicContact CB-CD2 4.04Å; F230-L274 HydrophobicContact CD1-CD2 4.07Å; F230-L274 HydrophobicContact CG-CD2 4.16Å
231S96.3Very high96.4Very high10 Ų1042.8 Ų42.87%0.0720%0.204CC..Hα-helixtrans-86.3-16.7-172.169.30000115.7R53 E227 F228 M229R53-S231 PolarHBondContact NE-O 3.45Å; R53-S231 PolarHBondContact NH2-OG 3.32Å; E227-S231 PolarHBondContact O-N 3.09Å; E227-S231 VanDerWaalsContact O-N 3.17Å; E227-S231 PolarHBondContact O-OG 3.15Å; F228-S231 PolarHBondContact O-N 3.3Å; F228-S231 PolarHBondContact O-OG 3.26Å; M229-S231 VanDerWaalsContact C-N 3.34Å
232I96.5Very high96.4Very high7 Ų741.3 Ų41.34%0.03620%0.197CC..SBendtrans-72.4161.6176.859.6169000111.8L39 T50 F51 F228 M229 D234 F235L39-I232 HydrophobicContact CD1-CD1 3.93Å; T50-I232 HydrophobicContact CG2-CB 4.36Å; T50-I232 HydrophobicContact CG2-CD1 4.39Å; T50-I232 WeakPolarHBondContact O-CB 3.44Å; F51-I232 HydrophobicContact CD1-CG2 4.47Å; F228-I232 HydrophobicContact CD1-CG2 4.49Å; F228-I232 HydrophobicContact CD2-CG2 4.48Å; F228-I232 HydrophobicContact CE1-CG2 4.09Å; F228-I232 HydrophobicContact CE2-CG2 4.07Å; F228-I232 HydrophobicContact CZ-CG2 3.89Å; F228-I232 PolarHBondContact O-N 3.26Å; M229-I232 HydrophobicContact CE-CD1 3.94Å; M229-I232 VanDerWaalsContact O-CG1 3.32Å; M229-I232 WeakPolarHBondContact O-CG1 3.16Å; M229-I232 HydrophobicContact SD-CD1 3.85Å; I232-D234 VanDerWaalsContact C-N 3.26Å; I232-D234 PolarHBondContact O-N 3.47Å; I232-F235 PolarHBondContact O-N 2.81Å
233N96.3Very high96.4Very high35 Ų3543.7 Ų43.719%0.18721%0.213CC..THydrogen-bonded Turntrans52.841179.8-67.1-74.4000112.9S42 T50 F235 K236S42-N233 PolarHBondContact OG-ND2 2.94Å; S42-N233 VanDerWaalsContact OG-ND2 3.08Å; T50-N233 WeakPolarHBondContact CA-OD1 3.37Å; T50-N233 PolarHBondContact O-N 3.38Å; N233-F235 PolarHBondContact O-N 2.91Å; N233-K236 HydrophobicContact CB-CB 3.75Å; N233-K236 HydrophobicContact CB-CD 4.27Å; N233-K236 WeakPolarHBondContact O-CB 3.23Å; N233-K236 PolarHBondContact O-N 3.11Å
234D96.6Very high96.5Very high20 Ų2040.2 Ų40.211%0.10719%0.191CC..THydrogen-bonded Turntrans46.755.9-175-16953.5000113R52 S54 R56 I232 K236 K239R52-D234 PolarHBondContact O-N 3.03Å; S54-D234 PolarHBondContact N-OD1 2.82Å; R56-D234 IonicContact CZ-OD1 3.41Å; R56-D234 IonicContact CZ-OD2 3.61Å; R56-D234 IonicContact NH1-OD1 2.74Å; R56-D234 PolarHBondContact NH1-OD1 2.89Å; R56-D234 IonicContact NH1-OD2 3.79Å; R56-D234 IonicContact NH2-OD1 3.78Å; R56-D234 PolarHBondContact NH2-OD1 3.3Å; R56-D234 IonicContact NH2-OD2 2.65Å; R56-D234 PolarHBondContact NH2-OD2 3.21Å; I232-D234 VanDerWaalsContact C-N 3.26Å; I232-D234 PolarHBondContact O-N 3.47Å; D234-K236 VanDerWaalsContact C-N 3.25Å; D234-K236 PolarHBondContact O-N 3.28Å; D234-K239 VanDerWaalsContact O-CE 3.23Å; D234-K239 WeakPolarHBondContact O-CE 3.19Å; D234-K239 PolarHBondContact O-NZ 3.27Å; D234-K239 IonicContact OD2-NZ 2.72Å; D234-K239 PolarHBondContact OD2-NZ 3.27Å
235F97.1Very high96.2Very high9 Ų941.5 Ų41.54%0.03920%0.204CC..THydrogen-bonded Turntrans58.132.9177.4-61.6-97.9000114.4F230 I232 N233 V237 L238 K239 I265 F268 S269 L274F230-F235 WeakPolarHBondContact O-CA 3.33Å; F230-F235 WeakPolarHBondContact O-CD1 3.21Å; I232-F235 PolarHBondContact O-N 2.81Å; N233-F235 PolarHBondContact O-N 2.91Å; F235-V237 PolarHBondContact O-N 3.22Å; F235-V237 VanDerWaalsContact O-N 3.17Å; F235-L238 HydrophobicContact CB-CB 4.27Å; F235-L238 WeakPolarHBondContact O-CB 3.4Å; F235-L238 PolarHBondContact O-N 3.43Å; F235-K239 PolarHBondContact O-N 2.93Å; F235-I265 HydrophobicContact CB-CG2 3.76Å; F235-I265 HydrophobicContact CD2-CG2 3.89Å; F235-I265 HydrophobicContact CG-CG2 3.87Å; F235-F268 WeakPolarHBondContact CE1-O 3.39Å; F235-S269 VanDerWaalsContact CZ-CA 3.42Å; F235-L274 HydrophobicContact CE1-CD1 4.03Å
236K96.4Very high95.9Very high135 Ų13544.3 Ų44.359%0.58723%0.226SC*.Hα-helixtrans-54.9-35.5-179.5-175.3175.5-177.61780113.5N233 D234 K239 H240N233-K236 HydrophobicContact CB-CB 3.75Å; N233-K236 HydrophobicContact CB-CD 4.27Å; N233-K236 WeakPolarHBondContact O-CB 3.23Å; N233-K236 PolarHBondContact O-N 3.11Å; D234-K236 VanDerWaalsContact C-N 3.25Å; D234-K236 PolarHBondContact O-N 3.28Å; K236-K239 PolarHBondContact O-N 3.19Å; K236-H240 VanDerWaalsContact O-CB 3.29Å; K236-H240 WeakPolarHBondContact O-CB 3.38Å; K236-H240 PolarHBondContact O-N 2.96Å
237V96Very high95.7Very high61 Ų6145.2 Ų45.237%0.3723%0.231SC..Hα-helixtrans-62.7-48.1177.1173.40000110.3F230 F235 K239 H240 L241F230-V237 HydrophobicContact CD1-CG1 4.46Å; F230-V237 HydrophobicContact CE1-CG1 4.19Å; F230-V237 HydrophobicContact CE2-CG1 4.35Å; F230-V237 HydrophobicContact CZ-CG1 4.13Å; F235-V237 PolarHBondContact O-N 3.22Å; F235-V237 VanDerWaalsContact O-N 3.17Å; V237-K239 PolarHBondContact O-N 3.33Å; V237-H240 PolarHBondContact O-N 2.72Å; V237-L241 HydrophobicContact CG1-CD1 4.42Å; V237-L241 WeakPolarHBondContact O-CG 3.33Å; V237-L241 PolarHBondContact O-N 3Å
238L96.4Very high95.4Very high0 Ų044.5 Ų44.50%023%0.229CC..Hα-helixtrans-61.7-44.2177.6-173.163.5000111.6P103 F230 F235 H240 L241 F242 I265 F268P103-L238 HydrophobicContact CB-CD1 3.71Å; P103-L238 HydrophobicContact CG-CD1 3.31Å; F230-L238 HydrophobicContact CD1-CB 4.45Å; F230-L238 HydrophobicContact CE1-CD1 4.4Å; F235-L238 HydrophobicContact CB-CB 4.27Å; F235-L238 WeakPolarHBondContact O-CB 3.4Å; F235-L238 PolarHBondContact O-N 3.43Å; L238-H240 VanDerWaalsContact C-N 3.33Å; L238-H240 PolarHBondContact O-N 2.84Å; L238-L241 WeakPolarHBondContact O-CB 3.09Å; L238-L241 PolarHBondContact O-N 3.38Å; L238-F242 HydrophobicContact CD1-CD2 4.24Å; L238-F242 HydrophobicContact CD1-CE2 3.65Å; L238-F242 HydrophobicContact CG-CD2 4.42Å; L238-F242 HydrophobicContact CG-CE2 4.18Å; L238-F242 WeakPolarHBondContact O-CD2 3.48Å; L238-F242 PolarHBondContact O-N 3.48Å; L238-I265 HydrophobicContact CD2-CG1 4.34Å; L238-F268 HydrophobicContact CD1-CD2 4.44Å; L238-F268 HydrophobicContact CD2-CB 3.8Å; L238-F268 HydrophobicContact CD2-CD2 3.88Å; L238-F268 HydrophobicContact CD2-CG 4.12Å
239K96.6Very high95.2Very high51 Ų5142 Ų4222%0.22222%0.219CC..Hα-helixtrans-55.8-49.7174.1-68.4173.2-176.6166.60111.4D234 F235 K236 V237 L241 F242 T243 L261 I265D234-K239 VanDerWaalsContact O-CE 3.23Å; D234-K239 WeakPolarHBondContact O-CE 3.19Å; D234-K239 PolarHBondContact O-NZ 3.27Å; D234-K239 IonicContact OD2-NZ 2.72Å; D234-K239 PolarHBondContact OD2-NZ 3.27Å; F235-K239 PolarHBondContact O-N 2.93Å; K236-K239 PolarHBondContact O-N 3.19Å; V237-K239 PolarHBondContact O-N 3.33Å; K239-L241 VanDerWaalsContact C-N 3.33Å; K239-L241 PolarHBondContact O-N 3.22Å; K239-F242 PolarHBondContact O-N 3.37Å; K239-T243 WeakPolarHBondContact O-CG2 3.28Å; K239-T243 PolarHBondContact O-N 3.35Å; K239-T243 PolarHBondContact O-OG1 3.22Å; K239-L261 HydrophobicContact CG-CD2 4.21Å; K239-I265 HydrophobicContact CD-CD1 4.1Å; K239-I265 HydrophobicContact CG-CD1 3.74Å; K239-I265 HydrophobicContact CG-CG1 4.24Å
240H96.4Very high94.5Very high104 Ų10443.8 Ų43.848%0.48124%0.24SC..Hα-helixtrans-63.8-36.5-179.5-172.379.6000112.8K236 V237 L238 F242 T243 S244 T247K236-H240 VanDerWaalsContact O-CB 3.29Å; K236-H240 WeakPolarHBondContact O-CB 3.38Å; K236-H240 PolarHBondContact O-N 2.96Å; V237-H240 PolarHBondContact O-N 2.72Å; L238-H240 VanDerWaalsContact C-N 3.33Å; L238-H240 PolarHBondContact O-N 2.84Å; H240-F242 VanDerWaalsContact C-N 3.25Å; H240-F242 PolarHBondContact O-N 3.01Å; H240-T243 PolarHBondContact O-N 3.19Å; H240-S244 WeakPolarHBondContact CE1-CB 2.84Å; H240-S244 WeakPolarHBondContact O-CB 2.99Å; H240-S244 PolarHBondContact O-N 2.96Å; H240-S244 PolarHBondContact O-OG 2.92Å; H240-T247 PolarHBondContact O-OG1 3.43Å
241L96.4Very high93.9Very high27 Ų2748 Ų4814%0.14126%0.255CS..Hα-helixtrans-56.5-42.2177-75.9171.8000111.5P103 F230 V237 L238 K239 T247 G248 F309P103-L241 HydrophobicContact CG-CD1 3.97Å; F230-L241 HydrophobicContact CE1-CD1 3.93Å; F230-L241 HydrophobicContact CZ-CD1 4.01Å; V237-L241 HydrophobicContact CG1-CD1 4.42Å; V237-L241 WeakPolarHBondContact O-CG 3.33Å; V237-L241 PolarHBondContact O-N 3Å; L238-L241 WeakPolarHBondContact O-CB 3.09Å; L238-L241 PolarHBondContact O-N 3.38Å; K239-L241 VanDerWaalsContact C-N 3.33Å; K239-L241 PolarHBondContact O-N 3.22Å; L241-T247 WeakPolarHBondContact CA-OG1 3.46Å; L241-T247 CarbonylContact O-C 3.48Å; L241-T247 VanDerWaalsContact O-C 3.29Å; L241-T247 PolarHBondContact O-OG1 3.45Å; L241-G248 VanDerWaalsContact O-CA 3.27Å; L241-G248 WeakPolarHBondContact O-CA 3.29Å; L241-G248 PolarHBondContact O-N 2.99Å; L241-F309 HydrophobicContact CD2-CE1 4.27Å; L241-F309 HydrophobicContact CD2-CZ 3.94Å
242F96.2Very high93.3Very high1 Ų156.9 Ų56.90%0.00429%0.293CS..Hα-helixtrans-89.6-23.8-177.8-68.1-61.4000115.3P103 E104 L238 K239 H240 G248 I249 L256 L261 Y264 W337P103-F242 HydrophobicContact CG-CE2 4.23Å; P103-F242 HydrophobicContact CG-CZ 4.1Å; P103-F242 WeakPolarHBondContact O-CZ 3.45Å; E104-F242 HydrophobicContact CG-CE1 4.41Å; E104-F242 HydrophobicContact CG-CZ 4.36Å; L238-F242 HydrophobicContact CD1-CD2 4.24Å; L238-F242 HydrophobicContact CD1-CE2 3.65Å; L238-F242 HydrophobicContact CG-CD2 4.42Å; L238-F242 HydrophobicContact CG-CE2 4.18Å; L238-F242 WeakPolarHBondContact O-CD2 3.48Å; L238-F242 PolarHBondContact O-N 3.48Å; K239-F242 PolarHBondContact O-N 3.37Å; H240-F242 VanDerWaalsContact C-N 3.25Å; H240-F242 PolarHBondContact O-N 3.01Å; F242-G248 CarbonylContact O-C 3.58Å; F242-G248 WeakPolarHBondContact O-CA 3.27Å; F242-I249 HydrophobicContact CD1-CD1 4.43Å; F242-I249 PolarHBondContact O-N 3.41Å; F242-L256 HydrophobicContact CB-CD1 3.69Å; F242-L256 HydrophobicContact CD1-CD1 4.38Å; F242-L256 HydrophobicContact CG-CD1 4.04Å; F242-L261 HydrophobicContact CB-CD1 4.19Å; F242-L261 HydrophobicContact CD2-CD1 4.37Å; F242-Y264 HydrophobicContact CD2-CG 4.41Å; F242-Y264 AromaticContact CE2-CD1 3.94Å; F242-Y264 HydrophobicContact CE2-CD1 3.94Å; F242-Y264 HydrophobicContact CE2-CD2 4.37Å; F242-Y264 AromaticContact CE2-CG 3.84Å; F242-Y264 HydrophobicContact CE2-CG 3.84Å; F242-Y264 AromaticContact CZ-CD1 3.88Å; F242-Y264 HydrophobicContact CZ-CD1 3.88Å; F242-Y264 HydrophobicContact CZ-CE1 4.12Å; F242-Y264 HydrophobicContact CZ-CG 4.19Å; F242-W337 HydrophobicContact CD1-CD2 4.28Å; F242-W337 HydrophobicContact CD1-CZ2 4.31Å; F242-W337 HydrophobicContact CE1-CD2 4.06Å; F242-W337 HydrophobicContact CE1-CE3 4.06Å; F242-W337 HydrophobicContact CE1-CH2 4.07Å; F242-W337 HydrophobicContact CE1-CZ2 4.04Å; F242-W337 HydrophobicContact CE1-CZ3 4.07Å
243T95.5Very high92.6Very high82 Ų8259.9 Ų59.950%0.50333%0.326SS..Hα-helixtrans-115.4-6.6-172.273.70000115K239 H240 L261K239-T243 WeakPolarHBondContact O-CG2 3.28Å; K239-T243 PolarHBondContact O-N 3.35Å; K239-T243 PolarHBondContact O-OG1 3.22Å; H240-T243 PolarHBondContact O-N 3.19Å; T243-L261 HydrophobicContact CG2-CD1 4.18Å; T243-L261 HydrophobicContact CG2-CD2 3.85Å
244S94.6Very high92.1Very high12 Ų1259.3 Ų59.38%0.08432%0.324CS..SBendtrans-73.3153.9179.980.20000111.7H240 S246 T247 G248H240-S244 WeakPolarHBondContact CE1-CB 2.84Å; H240-S244 WeakPolarHBondContact O-CB 2.99Å; H240-S244 PolarHBondContact O-N 2.96Å; H240-S244 PolarHBondContact O-OG 2.92Å; S244-S246 PolarHBondContact O-N 3.16Å; S244-S246 PolarHBondContact OG-N 3.31Å; S244-S246 PolarHBondContact OG-OG 2.87Å; S244-S246 VanDerWaalsContact OG-OG 3.12Å; S244-T247 PolarHBondContact OG-N 3.37Å; S244-T247 PolarHBondContact OG-OG1 3.25Å; S244-G248 WeakPolarHBondContact O-CA 3.47Å; S244-G248 PolarHBondContact O-N 2.88Å
245H89.8Confident91.8Very high202 Ų20262.9 Ų62.994%0.93534%0.34SS*.THydrogen-bonded Turntrans-62-28.4172.6-175.4-76.8000112.7
246S89.8Confident91.6Very high75 Ų7563.7 Ų63.752%0.52435%0.345SS..THydrogen-bonded Turntrans-85.3-33.7-17450.10000113.8S244 A308S244-S246 PolarHBondContact O-N 3.16Å; S244-S246 PolarHBondContact OG-N 3.31Å; S244-S246 PolarHBondContact OG-OG 2.87Å; S244-S246 VanDerWaalsContact OG-OG 3.12Å; S246-A308 WeakPolarHBondContact O-CB 3.3Å
247T93.3Very high91.5Very high20 Ų2060.8 Ų60.812%0.12334%0.339CS..THydrogen-bonded Turntrans-124.9-18.7-173.5630000113.3H240 L241 S244 A308 F309 W337H240-T247 PolarHBondContact O-OG1 3.43Å; L241-T247 WeakPolarHBondContact CA-OG1 3.46Å; L241-T247 CarbonylContact O-C 3.48Å; L241-T247 VanDerWaalsContact O-C 3.29Å; L241-T247 PolarHBondContact O-OG1 3.45Å; S244-T247 PolarHBondContact OG-N 3.37Å; S244-T247 PolarHBondContact OG-OG1 3.25Å; T247-A308 HydrophobicContact CG2-CB 3.82Å; T247-F309 HydrophobicContact CG2-CZ 4.08Å; T247-W337 PolarHBondContact O-NE1 3.43Å
248G93Very high91.5Very high4 Ų463.7 Ų63.74%0.04136%0.356CS..SBendtrans-84.4177.1-16600000114.6L241 F242 S244 G250 S335L241-G248 VanDerWaalsContact O-CA 3.27Å; L241-G248 WeakPolarHBondContact O-CA 3.29Å; L241-G248 PolarHBondContact O-N 2.99Å; F242-G248 CarbonylContact O-C 3.58Å; F242-G248 WeakPolarHBondContact O-CA 3.27Å; S244-G248 WeakPolarHBondContact O-CA 3.47Å; S244-G248 PolarHBondContact O-N 2.88Å; G248-G250 PolarHBondContact O-N 3.38Å; G248-S335 VanDerWaalsContact O-CB 3.27Å; G248-S335 WeakPolarHBondContact O-CB 3.37Å
249I92.4Very high91.5Very high6 Ų667.7 Ų67.73%0.03138%0.375CS..  trans-76.598.9171.6-64.6161.4000107F242 C254 L256 W337 Q340 D341F242-I249 HydrophobicContact CD1-CD1 4.43Å; F242-I249 PolarHBondContact O-N 3.41Å; I249-C254 WeakPolarHBondContact CG2-O 3.35Å; I249-L256 HydrophobicContact CD1-CD1 4.09Å; I249-L256 HydrophobicContact CD1-CD2 3.62Å; I249-L256 HydrophobicContact CD1-CG 3.74Å; I249-W337 HydrophobicContact CD1-CB 4.12Å; I249-W337 HydrophobicContact CD1-CG 4.35Å; I249-W337 HydrophobicContact CG1-CB 3.66Å; I249-W337 HydrophobicContact CG1-CG 3.86Å; I249-Q340 HydrophobicContact CD1-CB 3.64Å; I249-Q340 HydrophobicContact CD1-CG 4.28Å; I249-Q340 HydrophobicContact CG1-CB 4.29Å; I249-D341 HydrophobicContact CG2-CB 4.07Å
250G81.5Confident91.5Very high49 Ų4965.9 Ų65.951%0.50537%0.368SS..  trans-101.5-19.2-166.600000114.2G248 K252 Q255 D341G248-G250 PolarHBondContact O-N 3.38Å; G250-K252 PolarHBondContact O-N 3.06Å; G250-Q255 PolarHBondContact O-NE2 2.94Å; G250-Q255 VanDerWaalsContact O-NE2 3.08Å; G250-D341 PolarHBondContact N-OD1 3.47Å
251R85.3Confident91.5Very high98 Ų9862.2 Ų62.237%0.3735%0.352SS..SBendtrans-62.6130.3-172.2-175.8175.5-172.5151.76.2111.3G253 C254 Q255 D341 Q342 I345R251-G253 PolarHBondContact O-N 3.23Å; R251-C254 HydrophobicContact CB-CB 4.22Å; R251-C254 PolarHBondContact O-N 3.06Å; R251-Q255 PolarHBondContact O-N 3.26Å; R251-Q255 PolarHBondContact O-NE2 3.14Å; R251-Q255 PolarHBondContact O-OE1 2.72Å; R251-D341 WeakPolarHBondContact CB-O 3.36Å; R251-D341 VanDerWaalsContact CB-OD1 3.23Å; R251-D341 WeakPolarHBondContact CB-OD1 3.21Å; R251-D341 WeakPolarHBondContact CD-O 3.23Å; R251-D341 PolarHBondContact N-OD1 2.78Å; R251-Q342 VanDerWaalsContact NH1-CG 3.26Å; R251-I345 VanDerWaalsContact NH1-CD1 3.32Å
252K82.8Confident91.6Very high196 Ų19663.7 Ų63.785%0.85236%0.358SS*.THydrogen-bonded Turntrans-55.1121.5177.6-168.5177.5180-178.80111.2G250 C254G250-K252 PolarHBondContact O-N 3.06Å; K252-C254 VanDerWaalsContact C-N 3.34Å
253G82.3Confident91.7Very high71 Ų7163.6 Ų63.673%0.73236%0.358SS*.THydrogen-bonded Turntrans88.7-4.9-179.600000114.5R251R251-G253 PolarHBondContact O-N 3.23Å
254C85.4Confident91.8Very high23 Ų2359.7 Ų59.716%0.15533%0.334CS..THydrogen-bonded Turntrans-115.74.6176.1-60.10000112.4I249 R251 K252 D341I249-C254 WeakPolarHBondContact CG2-O 3.35Å; R251-C254 HydrophobicContact CB-CB 4.22Å; R251-C254 PolarHBondContact O-N 3.06Å; K252-C254 VanDerWaalsContact C-N 3.34Å; C254-D341 WeakPolarHBondContact CB-O 3.41Å
255Q90.4Very high92Very high95 Ų9559.1 Ų59.144%0.44433%0.33SS..SBendtrans-57.6143175.1-67.792.1-0.100111G250 R251 T257G250-Q255 PolarHBondContact O-NE2 2.94Å; G250-Q255 VanDerWaalsContact O-NE2 3.08Å; R251-Q255 PolarHBondContact O-N 3.26Å; R251-Q255 PolarHBondContact O-NE2 3.14Å; R251-Q255 PolarHBondContact O-OE1 2.72Å; Q255-T257 PolarHBondContact O-N 2.86Å
256L93.2Very high92.4Very high25 Ų2551.5 Ų51.513%0.13129%0.293CS..PPolyproline II helixtrans-56.6132.1173.3-64-172.7000110.2F242 I249 D260 L261 Y264F242-L256 HydrophobicContact CB-CD1 3.69Å; F242-L256 HydrophobicContact CD1-CD1 4.38Å; F242-L256 HydrophobicContact CG-CD1 4.04Å; I249-L256 HydrophobicContact CD1-CD1 4.09Å; I249-L256 HydrophobicContact CD1-CD2 3.62Å; I249-L256 HydrophobicContact CD1-CG 3.74Å; L256-D260 HydrophobicContact CB-CB 4.06Å; L256-D260 HydrophobicContact CD2-CB 4Å; L256-D260 HydrophobicContact CG-CB 4.49Å; L256-L261 HydrophobicContact CD1-CD1 4.25Å; L256-Y264 HydrophobicContact CD1-CD2 4.19Å; L256-Y264 HydrophobicContact CD1-CE2 4.1Å; L256-Y264 HydrophobicContact CD2-CE2 4.46Å
257T94.9Very high92.8Very high75 Ų7548.6 Ų48.646%0.4627%0.272SS..PPolyproline II helixtrans-66.7163.816767.60000109.7Q255 E259 D260 L261Q255-T257 PolarHBondContact O-N 2.86Å; T257-E259 PolarHBondContact O-N 2.98Å; T257-E259 PolarHBondContact OG1-N 3.28Å; T257-D260 WeakPolarHBondContact CB-OD2 3.42Å; T257-D260 WeakPolarHBondContact CG2-OD2 3.4Å; T257-D260 PolarHBondContact N-OD2 2.85Å; T257-D260 PolarHBondContact O-N 3.45Å; T257-D260 PolarHBondContact OG1-N 3.48Å; T257-D260 PolarHBondContact OG1-OD2 3.43Å; T257-L261 PolarHBondContact O-N 3.42Å
258T95.1Very high93Very high121 Ų12147.8 Ų47.874%0.74227%0.266SS*.Hα-helixtrans-55.6-38.2172.7-53.90000111.3E262T258-E262 WeakPolarHBondContact O-CB 3.42Å; T258-E262 WeakPolarHBondContact O-CG 3.13Å; T258-E262 PolarHBondContact O-N 2.9Å
259E96.6Very high93.2Very high84 Ų8449.1 Ų49.139%0.39328%0.275SS..Hα-helixtrans-68.9-43.1179-168.7177.2-167.600112P60 A61 C62 T257 L261 E262 A263P60-E259 HydrophobicContact CB-CG 4.06Å; A61-E259 WeakPolarHBondContact CA-OE1 3.35Å; A61-E259 WeakPolarHBondContact CB-OE1 3.42Å; A61-E259 PolarHBondContact N-OE1 2.93Å; C62-E259 HydrophobicContact CB-CG 4.06Å; C62-E259 PolarHBondContact N-OE1 2.71Å; T257-E259 PolarHBondContact O-N 2.98Å; T257-E259 PolarHBondContact OG1-N 3.28Å; E259-L261 VanDerWaalsContact C-N 3.32Å; E259-L261 PolarHBondContact O-N 2.83Å; E259-E262 PolarHBondContact O-N 3.2Å; E259-A263 PolarHBondContact O-N 2.68Å
260D96.8Very high93.4Very high14 Ų1451.9 Ų51.98%0.07529%0.288CS..Hα-helixtrans-58.9-45.4175-64.6-51.7000111.4Y107 R110 L256 T257 A263 Y264Y107-D260 HydrophobicContact CE1-CB 4.3Å; Y107-D260 WeakPolarHBondContact CE1-OD1 3.26Å; Y107-D260 PolarHBondContact OH-OD1 2.76Å; R110-D260 IonicContact NE-OD1 3.11Å; L256-D260 HydrophobicContact CB-CB 4.06Å; L256-D260 HydrophobicContact CD2-CB 4Å; L256-D260 HydrophobicContact CG-CB 4.49Å; T257-D260 WeakPolarHBondContact CB-OD2 3.42Å; T257-D260 WeakPolarHBondContact CG2-OD2 3.4Å; T257-D260 PolarHBondContact N-OD2 2.85Å; T257-D260 PolarHBondContact O-N 3.45Å; T257-D260 PolarHBondContact OG1-N 3.48Å; T257-D260 PolarHBondContact OG1-OD2 3.43Å; D260-A263 VanDerWaalsContact O-CB 3.32Å; D260-A263 WeakPolarHBondContact O-CB 3.35Å; D260-A263 PolarHBondContact O-N 2.71Å; D260-Y264 WeakPolarHBondContact O-CD2 3.43Å; D260-Y264 PolarHBondContact O-N 3.03Å
261L97.1Very high94Very high26 Ų2655.7 Ų55.714%0.13630%0.304CS..Hα-helixtrans-64.3-42.1179.2-175.462.4000111.5K239 F242 T243 L256 T257 E259 A263 Y264 I265K239-L261 HydrophobicContact CG-CD2 4.21Å; F242-L261 HydrophobicContact CB-CD1 4.19Å; F242-L261 HydrophobicContact CD2-CD1 4.37Å; T243-L261 HydrophobicContact CG2-CD1 4.18Å; T243-L261 HydrophobicContact CG2-CD2 3.85Å; L256-L261 HydrophobicContact CD1-CD1 4.25Å; T257-L261 PolarHBondContact O-N 3.42Å; E259-L261 VanDerWaalsContact C-N 3.32Å; E259-L261 PolarHBondContact O-N 2.83Å; L261-A263 VanDerWaalsContact C-N 3.27Å; L261-A263 PolarHBondContact O-N 3.33Å; L261-Y264 PolarHBondContact O-N 3.17Å; L261-I265 HydrophobicContact CG-CD1 4Å; L261-I265 WeakPolarHBondContact O-CD1 3.46Å; L261-I265 VanDerWaalsContact O-CG1 3.31Å; L261-I265 WeakPolarHBondContact O-CG1 3.48Å; L261-I265 PolarHBondContact O-N 3.34Å
262E97.5Very high94.4Very high58 Ų5853.6 Ų53.627%0.27131%0.313SS..Hα-helixtrans-66.1-27.6175.4-73.9-60.5137.800112.5R56 P60 T258 E259 I265 Y266R56-E262 IonicContact CZ-OE2 3.08Å; R56-E262 IonicContact NE-OE2 3.15Å; R56-E262 PolarHBondContact NE-OE2 2.93Å; R56-E262 IonicContact NH2-OE1 3.64Å; R56-E262 PolarHBondContact NH2-OE1 3.37Å; R56-E262 IonicContact NH2-OE2 3.6Å; R56-E262 PolarHBondContact NH2-OE2 3.17Å; R56-E262 VanDerWaalsContact NH2-OE2 3.11Å; P60-E262 HydrophobicContact CG-CB 4.32Å; T258-E262 WeakPolarHBondContact O-CB 3.42Å; T258-E262 WeakPolarHBondContact O-CG 3.13Å; T258-E262 PolarHBondContact O-N 2.9Å; E259-E262 PolarHBondContact O-N 3.2Å; E262-I265 PolarHBondContact O-N 3.4Å; E262-I265 VanDerWaalsContact OE1-CD1 3.3Å; E262-I265 WeakPolarHBondContact OE1-CD1 3.45Å; E262-Y266 WeakPolarHBondContact O-CB 3.42Å; E262-Y266 PolarHBondContact O-N 3.36Å
263A98.3Very high95Very high0 Ų045.2 Ų45.20%028%0.28CS..Hα-helixtrans-61.6-46.6170.900000112P60 L63 Y107 E259 D260 L261 Y266 V267P60-A263 HydrophobicContact CB-CB 4.43Å; P60-A263 HydrophobicContact CG-CB 4.33Å; L63-A263 HydrophobicContact CD1-CB 4.37Å; L63-A263 HydrophobicContact CD2-CB 3.66Å; L63-A263 HydrophobicContact CG-CB 4.04Å; Y107-A263 HydrophobicContact CD1-CB 4.44Å; Y107-A263 HydrophobicContact CE1-CB 4.36Å; E259-A263 PolarHBondContact O-N 2.68Å; D260-A263 VanDerWaalsContact O-CB 3.32Å; D260-A263 WeakPolarHBondContact O-CB 3.35Å; D260-A263 PolarHBondContact O-N 2.71Å; L261-A263 VanDerWaalsContact C-N 3.27Å; L261-A263 PolarHBondContact O-N 3.33Å; A263-Y266 PolarHBondContact O-N 2.97Å; A263-V267 WeakPolarHBondContact O-CG2 3.46Å; A263-V267 PolarHBondContact O-N 3.06Å; A263-V267 VanDerWaalsContact O-N 3.16Å
264Y98.2Very high95.7Very high0 Ų042.5 Ų42.50%025%0.249CC..Hα-helixtrans-62.3-47174.2-69.5-76.9000111.5E104 F105 Y107 S108 R110 F242 L256 D260 L261 Y266 V267 F268 Q340E104-Y264 HydrophobicContact CB-CE1 4.43Å; F105-Y264 AromaticContact CD1-CD1 3.84Å; F105-Y264 HydrophobicContact CD1-CD1 3.84Å; F105-Y264 AromaticContact CD1-CE1 3.89Å; F105-Y264 HydrophobicContact CD1-CE1 3.89Å; F105-Y264 AromaticContact CE1-CD1 3.56Å; F105-Y264 HydrophobicContact CE1-CD1 3.56Å; F105-Y264 AromaticContact CE1-CE1 3.72Å; F105-Y264 HydrophobicContact CE1-CE1 3.72Å; F105-Y264 HydrophobicContact CE1-CG 4.19Å; Y107-Y264 HydrophobicContact CD1-CE2 4.22Å; S108-Y264 WeakPolarHBondContact CA-OH 3.3Å; S108-Y264 PolarHBondContact N-OH 3.38Å; R110-Y264 PolarHBondContact NH1-OH 3.22Å; F242-Y264 HydrophobicContact CD2-CG 4.41Å; F242-Y264 AromaticContact CE2-CD1 3.94Å; F242-Y264 HydrophobicContact CE2-CD1 3.94Å; F242-Y264 HydrophobicContact CE2-CD2 4.37Å; F242-Y264 AromaticContact CE2-CG 3.84Å; F242-Y264 HydrophobicContact CE2-CG 3.84Å; F242-Y264 AromaticContact CZ-CD1 3.88Å; F242-Y264 HydrophobicContact CZ-CD1 3.88Å; F242-Y264 HydrophobicContact CZ-CE1 4.12Å; F242-Y264 HydrophobicContact CZ-CG 4.19Å; L256-Y264 HydrophobicContact CD1-CD2 4.19Å; L256-Y264 HydrophobicContact CD1-CE2 4.1Å; L256-Y264 HydrophobicContact CD2-CE2 4.46Å; D260-Y264 WeakPolarHBondContact O-CD2 3.43Å; D260-Y264 PolarHBondContact O-N 3.03Å; L261-Y264 PolarHBondContact O-N 3.17Å; Y264-Y266 VanDerWaalsContact C-N 3.35Å; Y264-Y266 PolarHBondContact O-N 3.36Å; Y264-V267 PolarHBondContact O-N 3.27Å; Y264-F268 VanDerWaalsContact O-CD2 3.26Å; Y264-F268 WeakPolarHBondContact O-CD2 3.35Å; Y264-F268 PolarHBondContact O-N 2.91Å; Y264-F268 VanDerWaalsContact O-N 3.09Å; Y264-Q340 PolarHBondContact OH-NE2 2.85Å; Y264-Q340 VanDerWaalsContact OH-NE2 3.17Å; Y264-Q340 PolarHBondContact OH-OE1 3.17Å
265I97.9Very high96.3Very high0 Ų043.6 Ų43.60%026%0.257CS..Hα-helixtrans-65.5-41.2-178.6-54.6153.5000110.9R56 F235 L238 K239 L261 E262 V267 F268 S269R56-I265 VanDerWaalsContact NE-CG2 3.33Å; F235-I265 HydrophobicContact CB-CG2 3.76Å; F235-I265 HydrophobicContact CD2-CG2 3.89Å; F235-I265 HydrophobicContact CG-CG2 3.87Å; L238-I265 HydrophobicContact CD2-CG1 4.34Å; K239-I265 HydrophobicContact CD-CD1 4.1Å; K239-I265 HydrophobicContact CG-CD1 3.74Å; K239-I265 HydrophobicContact CG-CG1 4.24Å; L261-I265 HydrophobicContact CG-CD1 4Å; L261-I265 WeakPolarHBondContact O-CD1 3.46Å; L261-I265 VanDerWaalsContact O-CG1 3.31Å; L261-I265 WeakPolarHBondContact O-CG1 3.48Å; L261-I265 PolarHBondContact O-N 3.34Å; E262-I265 PolarHBondContact O-N 3.4Å; E262-I265 VanDerWaalsContact OE1-CD1 3.3Å; E262-I265 WeakPolarHBondContact OE1-CD1 3.45Å; I265-V267 PolarHBondContact O-N 3.32Å; I265-F268 PolarHBondContact O-N 3.36Å; I265-S269 WeakPolarHBondContact O-CB 3.48Å; I265-S269 PolarHBondContact O-N 3.17Å; I265-S269 PolarHBondContact O-OG 3.01Å
266Y98.2Very high96.6Very high42 Ų4239.2 Ų39.217%0.16524%0.237CC..Hα-helixtrans-52-54.7175.2169.2-94.8000110.5R56 H58 P59 L63 E262 A263 Y264 S269 Q270R56-Y266 HydrophobicContact CB-CD2 4.01Å; R56-Y266 WeakPolarHBondContact O-CE2 3.35Å; H58-Y266 VanDerWaalsContact O-CD2 3.28Å; H58-Y266 WeakPolarHBondContact O-CD2 3.33Å; H58-Y266 WeakPolarHBondContact O-CE2 3.28Å; P59-Y266 HydrophobicContact CB-CD1 4.27Å; P59-Y266 HydrophobicContact CB-CE1 3.69Å; P59-Y266 HydrophobicContact CB-CE2 4.3Å; L63-Y266 HydrophobicContact CD1-CD1 3.97Å; L63-Y266 HydrophobicContact CD1-CE1 4.34Å; E262-Y266 WeakPolarHBondContact O-CB 3.42Å; E262-Y266 PolarHBondContact O-N 3.36Å; A263-Y266 PolarHBondContact O-N 2.97Å; Y264-Y266 VanDerWaalsContact C-N 3.35Å; Y264-Y266 PolarHBondContact O-N 3.36Å; Y266-S269 PolarHBondContact O-N 2.85Å; Y266-S269 PolarHBondContact O-OG 3.17Å; Y266-Q270 VanDerWaalsContact CE2-NE2 3.31Å; Y266-Q270 WeakPolarHBondContact O-CG 3.38Å; Y266-Q270 PolarHBondContact O-N 2.7Å; Y266-Q270 PolarHBondContact O-NE2 3.26Å
267V98.1Very high96.8Very high13 Ų1338 Ų388%0.07923%0.231CC..Hα-helixtrans-60.5-51.2-177.91700000111.6L63 F105 A263 Y264 I265 S269 Q270 A273L63-V267 HydrophobicContact CD1-CG2 4.44Å; F105-V267 HydrophobicContact CD1-CB 4.39Å; F105-V267 HydrophobicContact CD1-CG1 4.32Å; F105-V267 HydrophobicContact CD1-CG2 4.28Å; F105-V267 HydrophobicContact CD2-CG2 4.22Å; F105-V267 HydrophobicContact CE1-CB 4.3Å; F105-V267 HydrophobicContact CE1-CG2 3.94Å; F105-V267 HydrophobicContact CE2-CG2 3.86Å; F105-V267 HydrophobicContact CG-CG1 4.36Å; F105-V267 HydrophobicContact CG-CG2 4.43Å; F105-V267 HydrophobicContact CZ-CG2 3.71Å; A263-V267 WeakPolarHBondContact O-CG2 3.46Å; A263-V267 PolarHBondContact O-N 3.06Å; A263-V267 VanDerWaalsContact O-N 3.16Å; Y264-V267 PolarHBondContact O-N 3.27Å; I265-V267 PolarHBondContact O-N 3.32Å; V267-S269 VanDerWaalsContact C-N 3.25Å; V267-S269 PolarHBondContact O-N 2.58Å; V267-Q270 PolarHBondContact O-N 3.32Å; V267-A273 WeakPolarHBondContact O-CB 3.41Å
268F97.8Very high96.9Very high3 Ų334.5 Ų34.51%0.01321%0.209CC..Hα-helixtrans-75.9-12.6-177.5-73-74.9000114.1P103 E104 Y130 F235 L238 Y264 I265 L274 P277P103-F268 VanDerWaalsContact C-CE2 3.43Å; P103-F268 HydrophobicContact CB-CE1 4.08Å; P103-F268 HydrophobicContact CB-CE2 3.98Å; P103-F268 HydrophobicContact CB-CZ 3.72Å; P103-F268 WeakPolarHBondContact O-CE2 3.05Å; P103-F268 WeakPolarHBondContact O-CZ 3.15Å; E104-F268 WeakPolarHBondContact O-CZ 3.32Å; Y130-F268 HydrophobicContact CD1-CE1 4.17Å; Y130-F268 HydrophobicContact CD1-CZ 4.03Å; Y130-F268 HydrophobicContact CE1-CE1 4.2Å; Y130-F268 HydrophobicContact CE1-CZ 4.1Å; F235-F268 WeakPolarHBondContact CE1-O 3.39Å; L238-F268 HydrophobicContact CD1-CD2 4.44Å; L238-F268 HydrophobicContact CD2-CB 3.8Å; L238-F268 HydrophobicContact CD2-CD2 3.88Å; L238-F268 HydrophobicContact CD2-CG 4.12Å; Y264-F268 VanDerWaalsContact O-CD2 3.26Å; Y264-F268 WeakPolarHBondContact O-CD2 3.35Å; Y264-F268 PolarHBondContact O-N 2.91Å; Y264-F268 VanDerWaalsContact O-N 3.09Å; I265-F268 PolarHBondContact O-N 3.36Å; F268-L274 HydrophobicContact CB-CD2 4.15Å; F268-L274 HydrophobicContact CD1-CD2 3.8Å; F268-L274 HydrophobicContact CG-CD2 4.34Å; F268-P277 HydrophobicContact CE1-CB 4.31Å; F268-P277 HydrophobicContact CE1-CG 3.95Å
269S97.1Very high97Very high32 Ų3229 Ų2922%0.22418%0.176CC..Hα-helixtrans-84-13.5174.672.80000114.2F235 I265 Y266 V267F235-S269 VanDerWaalsContact CZ-CA 3.42Å; I265-S269 WeakPolarHBondContact O-CB 3.48Å; I265-S269 PolarHBondContact O-N 3.17Å; I265-S269 PolarHBondContact O-OG 3.01Å; Y266-S269 PolarHBondContact O-N 2.85Å; Y266-S269 PolarHBondContact O-OG 3.17Å; V267-S269 VanDerWaalsContact C-N 3.25Å; V267-S269 PolarHBondContact O-N 2.58Å
270Q96.9Very high96.9Very high64 Ų6425.1 Ų25.130%0.29916%0.157SC..SBendtrans-62.9147.7178.4-60.5-49.7-50.200111.3R56 Y266 V267 G272 A273R56-Q270 PolarHBondContact O-NE2 2.81Å; Y266-Q270 VanDerWaalsContact CE2-NE2 3.31Å; Y266-Q270 WeakPolarHBondContact O-CG 3.38Å; Y266-Q270 PolarHBondContact O-N 2.7Å; Y266-Q270 PolarHBondContact O-NE2 3.26Å; V267-Q270 PolarHBondContact O-N 3.32Å; Q270-G272 PolarHBondContact O-N 3.48Å; Q270-G272 VanDerWaalsContact O-N 3.13Å; Q270-A273 HydrophobicContact CB-CB 4.03Å; Q270-A273 WeakPolarHBondContact O-CB 3.32Å; Q270-A273 PolarHBondContact O-N 2.92Å
271P93.9Very high96.9Very high129 Ų12924.6 Ų24.684%0.83815%0.154SC*.THydrogen-bonded Turntrans-52.9121-179.4-27.435.4000112.5A273P271-A273 VanDerWaalsContact C-N 3.26Å; P271-A273 PolarHBondContact O-N 3.28Å
272G93.4Very high96.7Very high55 Ų5524.6 Ų24.657%0.56715%0.153SC*.THydrogen-bonded Turntrans79.1-4.717900000115.9Q270 L274 S275Q270-G272 PolarHBondContact O-N 3.48Å; Q270-G272 VanDerWaalsContact O-N 3.13Å; G272-L274 PolarHBondContact O-N 2.74Å; G272-L274 VanDerWaalsContact O-N 3.09Å; G272-S275 PolarHBondContact O-N 2.86Å; G272-S275 VanDerWaalsContact O-N 3.12Å
273A96.3Very high96.2Very high20 Ų2022.1 Ų22.117%0.16514%0.141CC..THydrogen-bonded Turntrans-64-19.1-172.800000114.9V267 Q270 P271 P277V267-A273 WeakPolarHBondContact O-CB 3.41Å; Q270-A273 HydrophobicContact CB-CB 4.03Å; Q270-A273 WeakPolarHBondContact O-CB 3.32Å; Q270-A273 PolarHBondContact O-N 2.92Å; P271-A273 VanDerWaalsContact C-N 3.26Å; P271-A273 PolarHBondContact O-N 3.28Å; A273-P277 WeakPolarHBondContact O-CD 3.12Å; A273-P277 WeakPolarHBondContact O-CG 3.33Å
274L96.9Very high95.5Very high14 Ų1422.3 Ų22.37%0.07314%0.142CC..THydrogen-bonded Turntrans-85.2-28.4176.7-74.6167.5000113.6E227 F230 F235 F268 G272 P277 I278E227-L274 HydrophobicContact CB-CB 4.23Å; E227-L274 HydrophobicContact CG-CB 3.89Å; F230-L274 HydrophobicContact CB-CD1 3.67Å; F230-L274 HydrophobicContact CB-CD2 4.04Å; F230-L274 HydrophobicContact CD1-CD2 4.07Å; F230-L274 HydrophobicContact CG-CD2 4.16Å; F235-L274 HydrophobicContact CE1-CD1 4.03Å; F268-L274 HydrophobicContact CB-CD2 4.15Å; F268-L274 HydrophobicContact CD1-CD2 3.8Å; F268-L274 HydrophobicContact CG-CD2 4.34Å; G272-L274 PolarHBondContact O-N 2.74Å; G272-L274 VanDerWaalsContact O-N 3.09Å; L274-P277 WeakPolarHBondContact O-CD 3.34Å; L274-I278 HydrophobicContact CB-CD1 4.3Å; L274-I278 WeakPolarHBondContact O-CB 3.49Å; L274-I278 WeakPolarHBondContact O-CD1 3.45Å; L274-I278 WeakPolarHBondContact O-CG1 3.31Å; L274-I278 PolarHBondContact O-N 3.11Å; L274-I278 VanDerWaalsContact O-N 3.12Å
275S97.1Very high94.6Very high46 Ų4623.3 Ų23.332%0.32215%0.147SC..Hα-helixtrans-70.5-40.9-172.2-70.70000112.6E227 G272 N279E227-S275 PolarHBondContact OE1-OG 3.11Å; E227-S275 VanDerWaalsContact OE1-OG 3.14Å; G272-S275 PolarHBondContact O-N 2.86Å; G272-S275 VanDerWaalsContact O-N 3.12Å; S275-N279 WeakPolarHBondContact O-CB 3.34Å; S275-N279 PolarHBondContact O-N 3.36Å; S275-N279 PolarHBondContact O-ND2 2.79Å; S275-N279 PolarHBondContact O-OD1 3Å
276G97Very high93.4Very high3 Ų327.1 Ų27.13%0.03117%0.173CC..Hα-helixtrans-58.1-56.5176.100000112.4Y142 I278 N279 H280Y142-G276 WeakPolarHBondContact CE1-O 3.36Å; Y142-G276 VanDerWaalsContact OH-CA 3.29Å; Y142-G276 WeakPolarHBondContact OH-CA 3.47Å; G276-I278 PolarHBondContact O-N 3.27Å; G276-N279 WeakPolarHBondContact O-CB 3.43Å; G276-N279 PolarHBondContact O-N 3.39Å; G276-H280 PolarHBondContact O-CD2 3.43Å
277P97.3Very high92Very high0 Ų026.8 Ų26.80%018%0.176CC..Hα-helixtrans-54.7-46.4176.6-32.642.9000113.3F102 G129 Y130 F268 A273 L274 N279 H280F102-P277 HydrophobicContact CD2-CB 3.69Å; F102-P277 HydrophobicContact CE2-CB 3.81Å; G129-P277 VanDerWaalsContact O-CD 3.24Å; G129-P277 WeakPolarHBondContact O-CD 3.16Å; Y130-P277 HydrophobicContact CD1-CB 4.07Å; Y130-P277 HydrophobicContact CD1-CG 3.55Å; Y130-P277 HydrophobicContact CD2-CG 4.11Å; Y130-P277 HydrophobicContact CE1-CB 3.43Å; Y130-P277 VanDerWaalsContact CE1-CB 3.43Å; Y130-P277 HydrophobicContact CE1-CG 3.48Å; Y130-P277 VanDerWaalsContact CE1-CG 3.48Å; Y130-P277 HydrophobicContact CE2-CB 3.97Å; Y130-P277 HydrophobicContact CE2-CG 4.03Å; Y130-P277 HydrophobicContact CG-CG 3.89Å; Y130-P277 WeakPolarHBondContact OH-CB 3.4Å; F268-P277 HydrophobicContact CE1-CB 4.31Å; F268-P277 HydrophobicContact CE1-CG 3.95Å; A273-P277 WeakPolarHBondContact O-CD 3.12Å; A273-P277 WeakPolarHBondContact O-CG 3.33Å; L274-P277 WeakPolarHBondContact O-CD 3.34Å; P277-N279 VanDerWaalsContact C-N 3.26Å; P277-N279 PolarHBondContact O-N 2.96Å; P277-H280 WeakPolarHBondContact O-CB 3.4Å; P277-H280 PolarHBondContact O-N 2.86Å
278I97.6Very high90.5Very high0 Ų028.9 Ų28.90%019%0.187CC..Hα-helixtrans-65.4-29.3177.8-73.4162.8000111.9F102 F220 P226 E227 L274 G276 H280 Y281 R282F102-I278 HydrophobicContact CE2-CG1 4.18Å; F102-I278 HydrophobicContact CZ-CG1 4.38Å; F220-I278 HydrophobicContact CB-CG2 4.17Å; F220-I278 HydrophobicContact CG-CG2 4.44Å; P226-I278 HydrophobicContact CB-CD1 3.95Å; E227-I278 HydrophobicContact CG-CD1 3.74Å; L274-I278 HydrophobicContact CB-CD1 4.3Å; L274-I278 WeakPolarHBondContact O-CB 3.49Å; L274-I278 WeakPolarHBondContact O-CD1 3.45Å; L274-I278 WeakPolarHBondContact O-CG1 3.31Å; L274-I278 PolarHBondContact O-N 3.11Å; L274-I278 VanDerWaalsContact O-N 3.12Å; G276-I278 PolarHBondContact O-N 3.27Å; I278-H280 PolarHBondContact O-N 3.35Å; I278-Y281 WeakPolarHBondContact O-CB 3.31Å; I278-Y281 PolarHBondContact O-N 3.29Å; I278-Y281 VanDerWaalsContact O-N 3.11Å; I278-R282 HydrophobicContact CG2-CG 4.49Å; I278-R282 PolarHBondContact O-N 3.29Å
279N96.9Very high88.8Confident7 Ų734.4 Ų34.44%0.03722%0.223CC..Hα-helixtrans-66.7-20.7177.6-74.4-25.3000113.8R139 Y142 S275 G276 P277 Y281 R282 N283R139-N279 HydrophobicContact CB-CB 4.4Å; Y142-N279 WeakPolarHBondContact CB-O 3.38Å; Y142-N279 HydrophobicContact CD1-CB 4.16Å; Y142-N279 HydrophobicContact CD2-CB 3.35Å; Y142-N279 HydrophobicContact CE1-CB 4.5Å; Y142-N279 HydrophobicContact CE2-CB 3.75Å; Y142-N279 WeakPolarHBondContact CE2-ND2 3.45Å; Y142-N279 HydrophobicContact CG-CB 3.56Å; S275-N279 WeakPolarHBondContact O-CB 3.34Å; S275-N279 PolarHBondContact O-N 3.36Å; S275-N279 PolarHBondContact O-ND2 2.79Å; S275-N279 PolarHBondContact O-OD1 3Å; G276-N279 WeakPolarHBondContact O-CB 3.43Å; G276-N279 PolarHBondContact O-N 3.39Å; P277-N279 VanDerWaalsContact C-N 3.26Å; P277-N279 PolarHBondContact O-N 2.96Å; N279-Y281 VanDerWaalsContact C-N 3.28Å; N279-Y281 PolarHBondContact O-N 3.15Å; N279-R282 PolarHBondContact O-N 2.98Å; N279-R282 WeakPolarHBondContact OD1-CD 3.46Å; N279-R282 PolarHBondContact OD1-NH1 3.44Å; N279-N283 PolarHBondContact O-ND2 3.5Å
280H95.6Very high87.3Confident2 Ų234.5 Ų34.51%0.00922%0.221CC..Hα-helixtrans-57.7-45.3169.6-73.2-121.2000110.1R128 Y130 Y142 L147 W170 G276 P277 I278 R282R128-H280 PolarHBondContact O-NE2 3.08Å; Y130-H280 AromaticContact CE2-CD2 3.95Å; Y130-H280 AromaticContact CE2-CE1 3.95Å; Y130-H280 AromaticContact CE2-NE2 3.55Å; Y142-H280 AromaticContact CD1-CD2 3.46Å; Y142-H280 VanDerWaalsContact CD1-CD2 3.46Å; Y142-H280 WeakPolarHBondContact CD1-CD2 3.29Å; Y142-H280 AromaticContact CD1-NE2 3.58Å; Y142-H280 AromaticContact CE1-NE2 3.96Å; L147-H280 WeakPolarHBondContact CD1-ND1 3.39Å; W170-H280 HydrophobicContact CD2-CB 3.94Å; W170-H280 HydrophobicContact CE3-CB 4.03Å; W170-H280 VanDerWaalsContact CH2-C 3.48Å; W170-H280 HydrophobicContact CH2-CB 4.13Å; W170-H280 WeakPolarHBondContact CH2-O 3.41Å; W170-H280 HydrophobicContact CZ2-CB 4.08Å; W170-H280 HydrophobicContact CZ3-CB 4.08Å; G276-H280 PolarHBondContact O-CD2 3.43Å; P277-H280 WeakPolarHBondContact O-CB 3.4Å; P277-H280 PolarHBondContact O-N 2.86Å; I278-H280 PolarHBondContact O-N 3.35Å; H280-R282 PolarHBondContact O-N 3.16Å
281Y95.4Very high86.1Confident3 Ų339.4 Ų39.41%0.01224%0.241CC..Hα-helixtrans-68.7-34.6177.4-62.2-89.5000113.7F102 W170 Y216 Y217 F220 Q221 I278 N279 N283 I284F102-Y281 HydrophobicContact CB-CE2 3.9Å; F102-Y281 WeakPolarHBondContact CB-OH 3.49Å; F102-Y281 AromaticContact CD1-CE2 3.9Å; F102-Y281 HydrophobicContact CD1-CE2 3.9Å; F102-Y281 AromaticContact CD1-CZ 3.94Å; F102-Y281 VanDerWaalsContact CD1-OH 3.23Å; F102-Y281 WeakPolarHBondContact CD1-OH 3.45Å; F102-Y281 AromaticContact CD2-CE2 3.93Å; F102-Y281 HydrophobicContact CD2-CE2 3.93Å; F102-Y281 HydrophobicContact CE1-CE2 4.44Å; F102-Y281 HydrophobicContact CE2-CE2 4.46Å; F102-Y281 AromaticContact CG-CE2 3.63Å; F102-Y281 HydrophobicContact CG-CE2 3.63Å; F102-Y281 AromaticContact CG-CZ 3.96Å; F102-Y281 WeakPolarHBondContact CG-OH 3.42Å; W170-Y281 AromaticContact CD1-CZ 3.68Å; W170-Y281 AromaticContact CE2-CD1 3.96Å; W170-Y281 AromaticContact CE2-CE1 3.81Å; W170-Y281 AromaticContact CZ2-CD1 3.64Å; W170-Y281 HydrophobicContact CZ2-CD1 3.64Å; W170-Y281 HydrophobicContact CZ2-CD2 4.37Å; W170-Y281 AromaticContact CZ2-CE1 3.95Å; W170-Y281 HydrophobicContact CZ2-CE1 3.95Å; W170-Y281 AromaticContact CZ2-CG 3.88Å; W170-Y281 HydrophobicContact CZ2-CG 3.88Å; W170-Y281 AromaticContact NE1-CD1 3.64Å; W170-Y281 AromaticContact NE1-CD2 3.84Å; W170-Y281 AromaticContact NE1-CE1 3.06Å; W170-Y281 AromaticContact NE1-CE2 3.34Å; W170-Y281 VanDerWaalsContact NE1-CE2 3.34Å; W170-Y281 AromaticContact NE1-CG 4Å; W170-Y281 AromaticContact NE1-CZ 2.94Å; W170-Y281 PolarHBondContact NE1-OH 2.89Å; Y216-Y281 HydrophobicContact CD2-CE1 4.03Å; Y216-Y281 HydrophobicContact CE2-CD1 4.4Å; Y216-Y281 AromaticContact CE2-CE1 3.56Å; Y216-Y281 HydrophobicContact CE2-CE1 3.56Å; Y217-Y281 AromaticContact CD1-CD1 3.55Å; Y217-Y281 HydrophobicContact CD1-CD1 3.55Å; Y217-Y281 HydrophobicContact CD1-CE1 4.16Å; Y217-Y281 HydrophobicContact CD2-CD1 4.44Å; Y217-Y281 HydrophobicContact CD2-CE1 4.42Å; Y217-Y281 AromaticContact CE1-CD1 3.5Å; Y217-Y281 HydrophobicContact CE1-CD1 3.5Å; Y217-Y281 AromaticContact CE1-CE1 3.79Å; Y217-Y281 HydrophobicContact CE1-CE1 3.79Å; Y217-Y281 HydrophobicContact CE2-CD1 4.42Å; Y217-Y281 HydrophobicContact CE2-CE1 4.09Å; Y217-Y281 HydrophobicContact CG-CD1 4.03Å; Y217-Y281 HydrophobicContact CG-CE1 4.45Å; Y217-Y281 AromaticContact CZ-CD1 3.94Å; Y217-Y281 AromaticContact CZ-CE1 3.73Å; F220-Y281 HydrophobicContact CB-CG 4.39Å; F220-Y281 AromaticContact CD2-CD1 3.92Å; F220-Y281 HydrophobicContact CD2-CD1 3.92Å; F220-Y281 AromaticContact CD2-CD2 3.5Å; F220-Y281 HydrophobicContact CD2-CD2 3.5Å; F220-Y281 HydrophobicContact CD2-CE1 4.21Å; F220-Y281 AromaticContact CD2-CE2 3.75Å; F220-Y281 HydrophobicContact CD2-CE2 3.75Å; F220-Y281 AromaticContact CD2-CG 3.56Å; F220-Y281 HydrophobicContact CD2-CG 3.56Å; F220-Y281 AromaticContact CE2-CD2 3.99Å; F220-Y281 HydrophobicContact CE2-CD2 3.99Å; F220-Y281 HydrophobicContact CE2-CE1 4.38Å; F220-Y281 AromaticContact CE2-CE2 3.74Å; F220-Y281 HydrophobicContact CE2-CE2 3.74Å; F220-Y281 HydrophobicContact CE2-CG 4.36Å; F220-Y281 AromaticContact CE2-CZ 3.93Å; F220-Y281 HydrophobicContact CG-CG 4.48Å; Q221-Y281 PolarHBondContact NE2-O 3.24Å; I278-Y281 WeakPolarHBondContact O-CB 3.31Å; I278-Y281 PolarHBondContact O-N 3.29Å; I278-Y281 VanDerWaalsContact O-N 3.11Å; N279-Y281 VanDerWaalsContact C-N 3.28Å; N279-Y281 PolarHBondContact O-N 3.15Å; Y281-N283 PolarHBondContact O-N 3.27Å; Y281-N283 VanDerWaalsContact O-N 3.1Å; Y281-I284 WeakPolarHBondContact O-CG2 3.11Å; Y281-I284 PolarHBondContact O-N 2.87Å
282R94.2Very high84.8Confident26 Ų2638.7 Ų38.710%0.09823%0.227CC..Hα-helixtrans-66.7-11.7-175.7-72.9169171.9156.81.6114.4F220 Q221 I222 E227 I278 N279 H280F220-R282 VanDerWaalsContact O-CG 3.31Å; F220-R282 WeakPolarHBondContact O-CG 3.47Å; F220-R282 PolarHBondContact O-NE 3.08Å; F220-R282 VanDerWaalsContact O-NE 3.1Å; Q221-R282 PolarHBondContact OE1-O 2.92Å; I222-R282 PolarHBondContact O-NH2 2.77Å; I222-R282 VanDerWaalsContact O-NH2 3.17Å; E227-R282 VanDerWaalsContact CD-NH2 3.25Å; E227-R282 IonicContact OE1-CZ 3.7Å; E227-R282 VanDerWaalsContact OE1-CZ 3.28Å; E227-R282 IonicContact OE1-NH1 3.79Å; E227-R282 PolarHBondContact OE1-NH1 3.04Å; E227-R282 IonicContact OE1-NH2 2.92Å; E227-R282 PolarHBondContact OE1-NH2 3.32Å; E227-R282 IonicContact OE2-CZ 3.1Å; E227-R282 IonicContact OE2-NH2 3.81Å; E227-R282 PolarHBondContact OE2-NH2 3.38Å; I278-R282 HydrophobicContact CG2-CG 4.49Å; I278-R282 PolarHBondContact O-N 3.29Å; N279-R282 PolarHBondContact O-N 2.98Å; N279-R282 WeakPolarHBondContact OD1-CD 3.46Å; N279-R282 PolarHBondContact OD1-NH1 3.44Å; H280-R282 PolarHBondContact O-N 3.16Å
283N85.6Confident84.3Confident6 Ų640.6 Ų40.63%0.03222%0.22CC..THydrogen-bonded Turntrans-109.1-4.4178.8-66.6-87.4000113.8R139 K143 N279 Y281 F285 S286 C287R139-N283 PolarHBondContact O-ND2 2.97Å; R139-N283 PolarHBondContact O-OD1 3.35Å; K143-N283 HydrophobicContact CG-CB 4.3Å; N279-N283 PolarHBondContact O-ND2 3.5Å; Y281-N283 PolarHBondContact O-N 3.27Å; Y281-N283 VanDerWaalsContact O-N 3.1Å; N283-F285 PolarHBondContact O-N 3.47Å; N283-S286 PolarHBondContact O-N 3.08Å; N283-S286 VanDerWaalsContact O-N 3.14Å; N283-C287 PolarHBondContact O-SG 2.95Å; N283-C287 VanDerWaalsContact O-SG 3.34Å
284I84.3Confident84.1Confident4 Ų442.9 Ų42.92%0.02123%0.228CC..G310 helixtrans-57.2-48.3-173.4-166.465.3000112W170 M173 Y217 Y281 S286 C287 L288W170-I284 HydrophobicContact CH2-CB 4.37Å; W170-I284 HydrophobicContact CH2-CD1 3.82Å; W170-I284 HydrophobicContact CH2-CG1 4.5Å; W170-I284 HydrophobicContact CZ3-CD1 4.45Å; M173-I284 HydrophobicContact CE-CD1 3.51Å; M173-I284 HydrophobicContact SD-CD1 4.25Å; Y217-I284 HydrophobicContact CD1-CG1 4.39Å; Y217-I284 HydrophobicContact CD1-CG2 4.02Å; Y217-I284 HydrophobicContact CE1-CG1 4.18Å; Y281-I284 WeakPolarHBondContact O-CG2 3.11Å; Y281-I284 PolarHBondContact O-N 2.87Å; I284-S286 PolarHBondContact O-N 3.25Å; I284-C287 PolarHBondContact O-N 2.86Å; I284-C287 VanDerWaalsContact O-N 3.08Å; I284-L288 WeakPolarHBondContact O-CG 2.89Å
285F79.3Confident84Confident21 Ų2142.2 Ų42.29%0.09223%0.225CC..G310 helixtrans-69.8-16.4-175.9-59.1-59.2000113.6F20 W21 V24 Y218 Q221 N283 C287F20-F285 HydrophobicContact CZ-CD1 4.41Å; W21-F285 HydrophobicContact CH2-CB 4.04Å; W21-F285 HydrophobicContact CZ3-CB 4.33Å; V24-F285 HydrophobicContact CG1-CD2 4.16Å; V24-F285 HydrophobicContact CG1-CE2 4.18Å; Y218-F285 HydrophobicContact CD1-CE2 4.21Å; Y218-F285 AromaticContact CD1-CZ 3.81Å; Y218-F285 HydrophobicContact CD1-CZ 3.81Å; Y218-F285 HydrophobicContact CD2-CZ 4.42Å; Y218-F285 HydrophobicContact CE1-CE1 4.03Å; Y218-F285 HydrophobicContact CE1-CE2 4.29Å; Y218-F285 AromaticContact CE1-CZ 3.54Å; Y218-F285 HydrophobicContact CE1-CZ 3.54Å; Y218-F285 HydrophobicContact CE2-CZ 4.19Å; Y218-F285 HydrophobicContact CG-CZ 4.25Å; Y218-F285 AromaticContact CZ-CZ 3.76Å; Q221-F285 HydrophobicContact CG-CD2 4.23Å; Q221-F285 HydrophobicContact CG-CE2 3.79Å; N283-F285 PolarHBondContact O-N 3.47Å; F285-C287 VanDerWaalsContact C-N 3.32Å
286S72.3Confident83.9Confident80 Ų8043 Ų4356%0.55923%0.228SC*.G310 helixtrans-82.1-13.5176.1-590000112.8N283 I284N283-S286 PolarHBondContact O-N 3.08Å; N283-S286 VanDerWaalsContact O-N 3.14Å; I284-S286 PolarHBondContact O-N 3.25Å
287C68.4Low83.8Confident34 Ų3443.1 Ų43.123%0.2323%0.228CC..SBendtrans-1066.7-175.3-52.70000112.7L144 N283 I284 F285 L290L144-C287 HydrophobicContact CD1-CB 3.73Å; L144-C287 HydrophobicContact CG-CB 4.38Å; N283-C287 PolarHBondContact O-SG 2.95Å; N283-C287 VanDerWaalsContact O-SG 3.34Å; I284-C287 PolarHBondContact O-N 2.86Å; I284-C287 VanDerWaalsContact O-N 3.08Å; F285-C287 VanDerWaalsContact C-N 3.32Å; C287-L290 WeakPolarHBondContact O-CD2 3.5Å
288L67.6Low83.8Confident57 Ų5744.2 Ų44.230%0.29824%0.235SC..  trans-105.4143.9-176.9-57.8-173.2000112.2T201 I284 L290T201-L288 HydrophobicContact CG2-CD1 3.99Å; T201-L288 HydrophobicContact CG2-CD2 3.13Å; T201-L288 HydrophobicContact CG2-CG 4.16Å; I284-L288 WeakPolarHBondContact O-CG 2.89Å; L288-L290 HydrophobicContact CD2-CG 4.28Å
289P62.6Low83.8Confident119 Ų11944.2 Ų44.277%0.77324%0.235SC*.SBendcis-81.3144.5-2.632.2-33.5000112.6
290L65.6Low83.9Confident35 Ų3543.9 Ų43.918%0.18323%0.233CC..PPolyproline II helixtrans-74.6134.5170.8-68.9170000109.5L144 L177 P197 N198 C287 L288L144-L290 HydrophobicContact CD1-CD2 4.48Å; L177-L290 HydrophobicContact CD2-CD1 4.43Å; P197-L290 HydrophobicContact CB-CD1 3.31Å; P197-L290 HydrophobicContact CG-CD1 4.49Å; N198-L290 PolarHBondContact ND2-O 3.31Å; N198-L290 VanDerWaalsContact OD1-CB 3.22Å; N198-L290 WeakPolarHBondContact OD1-CB 3.47Å; N198-L290 PolarHBondContact OD1-O 2.99Å; C287-L290 WeakPolarHBondContact O-CD2 3.5Å; L288-L290 HydrophobicContact CD2-CG 4.28Å
291K71.3Confident84.1Confident167 Ų16743.8 Ų43.873%0.72623%0.233SC*.PPolyproline II helixtrans-67.7140.7175.1-73-177.9-177.7178.70109.9H293K291-H293 VanDerWaalsContact CB-CE1 3.47Å; K291-H293 WeakPolarHBondContact CB-CE1 3.29Å; K291-H293 PolarHBondContact O-N 3.25Å; K291-H293 PolarHBondContact O-ND1 3.01Å
292H66.2Low84.2Confident114 Ų11443.7 Ų43.753%0.52823%0.232SC..  trans-63105.5177.4-58.263.5000110.4N198 E202 Y321N198-H292 WeakPolarHBondContact ND2-CA 3.45Å; N198-H292 PolarHBondContact ND2-CD2 3.39Å; N198-H292 PolarHBondContact ND2-N 2.75Å; N198-H292 VanDerWaalsContact ND2-N 3.18Å; N198-H292 PolarHBondContact ND2-ND1 2.93Å; E202-H292 IonicContact OE1-CD2 2.96Å; E202-H292 IonicContact OE1-CE1 3.49Å; E202-H292 PolarHBondContact OE1-CE1 3.16Å; E202-H292 VanDerWaalsContact OE1-CE1 3.3Å; E202-H292 IonicContact OE1-NE2 3.1Å; E202-H292 PolarHBondContact OE1-NE2 2.74Å; H292-Y321 HydrophobicContact CB-CE1 4.29Å; H292-Y321 AromaticContact CD2-CE1 3.48Å; H292-Y321 VanDerWaalsContact CD2-CE1 3.48Å; H292-Y321 WeakPolarHBondContact CD2-CE1 3.48Å; H292-Y321 AromaticContact CD2-CZ 3.75Å; H292-Y321 PolarHBondContact CD2-OH 3.43Å; H292-Y321 PolarHBondContact NE2-OH 3.38Å
293H82.6Confident84.4Confident95 Ų9542.5 Ų42.544%0.4423%0.228SC..  trans-118.1134.2170.3-60.896.6000108.7I180 H196 K291I180-H293 HydrophobicContact CB-CB 4.45Å; I180-H293 HydrophobicContact CG1-CB 4.41Å; I180-H293 HydrophobicContact CG2-CB 3.37Å; H196-H293 PolarHBondContact NE2-O 3.47Å; K291-H293 VanDerWaalsContact CB-CE1 3.47Å; K291-H293 WeakPolarHBondContact CB-CE1 3.29Å; K291-H293 PolarHBondContact O-N 3.25Å; K291-H293 PolarHBondContact O-ND1 3.01Å
294M91.6Very high84.9Confident67 Ų6742.2 Ų42.233%0.3323%0.226SC..  trans-83.3139.3179.6-63.6-62.4-67.900109.5I320 Y321 K323M294-I320 VanDerWaalsContact CE-O 3.26Å; M294-I320 WeakPolarHBondContact CE-O 3.29Å; M294-Y321 WeakPolarHBondContact CA-O 3.35Å; M294-Y321 VanDerWaalsContact CE-C 3.49Å; M294-Y321 HydrophobicContact SD-CD1 4.48Å; M294-K323 HydrophobicContact CB-CD 3.96Å; M294-K323 HydrophobicContact CE-CB 4.2Å; M294-K323 HydrophobicContact CE-CD 3.93Å; M294-K323 HydrophobicContact CE-CG 3.54Å; M294-K323 HydrophobicContact CG-CD 3.96Å
295V95.1Very high85.4Confident0 Ų046.9 Ų46.90%025%0.248CC..BIsolated β-bridgetrans-89.1124.8170.4179.30000108.8W176 A179 I180 L189 Y321 V322 K323W176-V295 HydrophobicContact CE3-CG2 3.8Å; W176-V295 HydrophobicContact CZ3-CB 4.19Å; W176-V295 HydrophobicContact CZ3-CG1 4.21Å; W176-V295 HydrophobicContact CZ3-CG2 3.83Å; A179-V295 HydrophobicContact CB-CG1 4.1Å; I180-V295 HydrophobicContact CD1-CG2 4.39Å; I180-V295 HydrophobicContact CG1-CG2 3.64Å; L189-V295 HydrophobicContact CD2-CG1 4.42Å; V295-Y321 PolarHBondContact N-O 2.67Å; V295-V322 HydrophobicContact CB-CG2 4.43Å; V295-V322 WeakPolarHBondContact O-CA 3.39Å; V295-K323 PolarHBondContact O-N 3.24Å
296T94.8Very high86Confident64 Ų6450.4 Ų50.439%0.39327%0.268SS..  trans-100.1-16.5176.858.30000112.1N324T296-N324 PolarHBondContact O-ND2 2.91Å
297T95.6Very high87.1Confident5 Ų546.9 Ų46.93%0.03124%0.243CC..SBendtrans-63.9135.1176-52.40000110.9V186 L189 T299V186-T297 HydrophobicContact CB-CG2 3.96Å; V186-T297 HydrophobicContact CG1-CG2 3.7Å; V186-T297 WeakPolarHBondContact O-CG2 2.96Å; L189-T297 HydrophobicContact CB-CG2 4.06Å; T297-T299 PolarHBondContact O-N 3.28Å; T297-T299 PolarHBondContact O-OG1 3.2Å
298P97.4Very high88.3Confident22 Ų2246.8 Ų46.814%0.14325%0.245CC..  trans-54.2126.6170.2-23.733.6000110.3L189 Y325 F353 T358L189-P298 PolarHBondContact N-O 2.83Å; P298-Y325 HydrophobicContact CB-CD1 4.38Å; P298-F353 HydrophobicContact CB-CE2 4.41Å; P298-F353 HydrophobicContact CB-CZ 4.13Å; P298-T358 HydrophobicContact CB-CG2 3.57Å; P298-T358 HydrophobicContact CG-CG2 4.03Å; P298-T358 WeakPolarHBondContact CG-OG1 3.23Å
299T98.4Very high89.6Confident0 Ų045.5 Ų45.50%024%0.237CC..EExtended strand (participates in β ladder)trans-127.8132-169.7-57.10000112.5W176 L189 T297 Y325 F326 R327W176-T299 HydrophobicContact CH2-CG2 3.5Å; W176-T299 HydrophobicContact CZ2-CG2 4.21Å; W176-T299 HydrophobicContact CZ3-CG2 3.94Å; L189-T299 HydrophobicContact CB-CG2 4.25Å; L189-T299 HydrophobicContact CD2-CG2 3.89Å; L189-T299 HydrophobicContact CG-CG2 4.09Å; L189-T299 CarbonylContact O-C 3.56Å; L189-T299 VanDerWaalsContact O-CA 3.29Å; L189-T299 WeakPolarHBondContact O-CA 3.42Å; T297-T299 PolarHBondContact O-N 3.28Å; T297-T299 PolarHBondContact O-OG1 3.2Å; T299-Y325 PolarHBondContact N-O 2.77Å; T299-F326 HydrophobicContact CG2-CD2 4.26Å; T299-F326 HydrophobicContact CG2-CE2 4.37Å; T299-F326 WeakPolarHBondContact O-CA 3.46Å; T299-R327 PolarHBondContact O-N 3.22Å
300L98.6Very high91.1Very high1 Ų140 Ų401%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-105.8123.4164.3173.865.3000108.9L189 I190 V191 L302 R327 I350 F353L189-L300 PolarHBondContact O-N 2.96Å; I190-L300 CarbonylContact C-O 3.58Å; I190-L300 WeakPolarHBondContact CA-O 3.35Å; I190-L300 HydrophobicContact CG1-CB 4.08Å; I190-L300 HydrophobicContact CG1-CD2 4.2Å; I190-L300 HydrophobicContact CG2-CB 4.43Å; I190-L300 HydrophobicContact CG2-CD2 4.08Å; I190-L300 HydrophobicContact CG2-CG 4.33Å; V191-L300 PolarHBondContact N-O 3.05Å; L300-L302 HydrophobicContact CD1-CD2 3.77Å; L300-L302 HydrophobicContact CD1-CG 4.47Å; L300-L302 HydrophobicContact CD2-CD1 4.35Å; L300-L302 HydrophobicContact CD2-CD2 3.95Å; L300-L302 HydrophobicContact CD2-CG 4.1Å; L300-L302 HydrophobicContact CG-CD2 3.88Å; L300-L302 HydrophobicContact CG-CG 4.05Å; L300-R327 CarbonylContact C-O 3.6Å; L300-R327 WeakPolarHBondContact CA-O 3.43Å; L300-R327 HydrophobicContact CD1-CB 3.9Å; L300-R327 HydrophobicContact CD1-CG 3.75Å; L300-I350 HydrophobicContact CD2-CG1 4.49Å; L300-F353 HydrophobicContact CB-CB 4.37Å; L300-F353 HydrophobicContact CB-CD1 3.54Å; L300-F353 HydrophobicContact CB-CD2 4.13Å; L300-F353 HydrophobicContact CB-CE1 3.71Å; L300-F353 HydrophobicContact CB-CE2 4.31Å; L300-F353 HydrophobicContact CB-CG 3.74Å; L300-F353 HydrophobicContact CB-CZ 4.11Å; L300-F353 HydrophobicContact CD2-CB 3.78Å; L300-F353 HydrophobicContact CD2-CD1 4.04Å; L300-F353 HydrophobicContact CD2-CG 4.05Å; L300-F353 HydrophobicContact CG-CD1 4.42Å; L300-F353 HydrophobicContact CG-CG 4.42Å
301L98.7Very high92.5Very high0 Ų040 Ų400%020%0.2CC..EExtended strand (participates in β ladder)trans-106.5117.9168.1-178.558.2000108.8V191 W303 A315 T318 F326 R327 L328 T329V191-L301 HydrophobicContact CB-CD1 3.99Å; V191-L301 HydrophobicContact CG1-CD1 4.09Å; V191-L301 WeakPolarHBondContact O-CA 3.37Å; L301-W303 HydrophobicContact CD1-CE3 4.14Å; L301-W303 HydrophobicContact CD2-CE3 4.31Å; L301-W303 HydrophobicContact CG-CE3 4.34Å; L301-A315 HydrophobicContact CD2-CB 3.93Å; L301-T318 HydrophobicContact CD2-CG2 3.89Å; L301-F326 HydrophobicContact CB-CE2 3.77Å; L301-F326 HydrophobicContact CB-CZ 3.82Å; L301-F326 HydrophobicContact CD2-CE2 4.38Å; L301-F326 HydrophobicContact CD2-CZ 3.96Å; L301-R327 PolarHBondContact N-O 3.14Å; L301-L328 HydrophobicContact CB-CD1 4.13Å; L301-L328 HydrophobicContact CD2-CD1 4.02Å; L301-L328 HydrophobicContact CG-CD1 3.9Å; L301-L328 CarbonylContact O-C 3.58Å; L301-L328 WeakPolarHBondContact O-CA 3.34Å; L301-T329 PolarHBondContact O-N 3.28Å
302L98.6Very high93.6Very high0 Ų033.8 Ų33.80%018%0.176CC..EExtended strand (participates in β ladder)trans-100.5137.4170.4-58.4-177.4000108.8V191 I192 N193 L300 T329 L331 L338 V346 L349 I350V191-L302 PolarHBondContact O-N 3.35Å; I192-L302 WeakPolarHBondContact CA-O 3.46Å; I192-L302 HydrophobicContact CD1-CD1 4.47Å; I192-L302 HydrophobicContact CG1-CB 4.36Å; I192-L302 HydrophobicContact CG1-CD1 4.38Å; N193-L302 PolarHBondContact N-O 3.23Å; L300-L302 HydrophobicContact CD1-CD2 3.77Å; L300-L302 HydrophobicContact CD1-CG 4.47Å; L300-L302 HydrophobicContact CD2-CD1 4.35Å; L300-L302 HydrophobicContact CD2-CD2 3.95Å; L300-L302 HydrophobicContact CD2-CG 4.1Å; L300-L302 HydrophobicContact CG-CD2 3.88Å; L300-L302 HydrophobicContact CG-CG 4.05Å; L302-T329 WeakPolarHBondContact CA-O 3.1Å; L302-L331 HydrophobicContact CD2-CD1 4.4Å; L302-L338 HydrophobicContact CB-CD2 4.05Å; L302-V346 HydrophobicContact CD1-CB 4.49Å; L302-V346 HydrophobicContact CD1-CG1 3.93Å; L302-V346 HydrophobicContact CD1-CG2 4.42Å; L302-L349 HydrophobicContact CD2-CB 4.18Å; L302-L349 HydrophobicContact CD2-CD1 3.8Å; L302-I350 HydrophobicContact CD1-CG1 4.46Å
303W98.3Very high95Very high1 Ų132.4 Ų32.40%0.00417%0.17CC..EExtended strand (participates in β ladder)trans-140139.9-176.5-158.6-82.8000111.7P195 L301 M310 E311 M314 A315 L328 T329 I330 L331P195-W303 HydrophobicContact CB-CH2 4.13Å; P195-W303 HydrophobicContact CB-CZ3 4.11Å; P195-W303 HydrophobicContact CG-CH2 4.19Å; L301-W303 HydrophobicContact CD1-CE3 4.14Å; L301-W303 HydrophobicContact CD2-CE3 4.31Å; L301-W303 HydrophobicContact CG-CE3 4.34Å; W303-M310 HydrophobicContact CH2-CB 3.99Å; W303-M310 HydrophobicContact CH2-SD 4.35Å; W303-M310 HydrophobicContact CZ2-CB 3.6Å; W303-E311 VanDerWaalsContact CZ2-O 3.27Å; W303-E311 WeakPolarHBondContact CZ2-O 3.43Å; W303-M314 HydrophobicContact CH2-CB 4.23Å; W303-A315 HydrophobicContact CB-CB 4.22Å; W303-A315 HydrophobicContact CD2-CB 3.52Å; W303-A315 HydrophobicContact CE3-CB 3.4Å; W303-A315 VanDerWaalsContact CE3-CB 3.4Å; W303-A315 HydrophobicContact CG-CB 3.88Å; W303-A315 HydrophobicContact CH2-CB 4.38Å; W303-A315 HydrophobicContact CZ3-CB 3.86Å; W303-L328 HydrophobicContact CB-CD1 4.36Å; W303-T329 PolarHBondContact N-O 3.25Å; W303-I330 HydrophobicContact CB-CG1 4.29Å; W303-I330 CarbonylContact O-C 3.29Å; W303-I330 WeakPolarHBondContact O-CA 3.49Å; W303-L331 PolarHBondContact O-N 3.41Å
304G96.1Very high95.6Very high0 Ų027.9 Ų27.90%015%0.149CC..EExtended strand (participates in β ladder)trans-90.512717400000111.6N193 N306 D307 A334N193-G304 PolarHBondContact ND2-N 3.14Å; N193-G304 VanDerWaalsContact ND2-N 3.2Å; N193-G304 PolarHBondContact OD1-N 2.99Å; G304-N306 PolarHBondContact O-N 2.9Å; G304-D307 WeakPolarHBondContact O-CB 3.47Å; G304-D307 PolarHBondContact O-N 2.93Å; G304-A334 CarbonylContact C-O 3.51Å; G304-A334 WeakPolarHBondContact CA-O 3.18Å
305E94.1Very high95.7Very high103 Ų10324.7 Ų24.748%0.48113%0.133SC..THydrogen-bonded Turntrans-57.1-36.6177.7-177.8175.4-138.300112.2D307 I330 L331 S332 E333E305-D307 PolarHBondContact O-N 3.49Å; E305-I330 HydrophobicContact CB-CG2 4.08Å; E305-L331 WeakPolarHBondContact CB-O 3.11Å; E305-L331 PolarHBondContact N-O 3.43Å; E305-S332 VanDerWaalsContact OE2-CA 3.23Å; E305-S332 WeakPolarHBondContact OE2-CA 3.27Å; E305-S332 WeakPolarHBondContact OE2-CB 3.22Å; E305-S332 PolarHBondContact OE2-OG 2.93Å; E305-E333 PolarHBondContact OE2-N 2.99Å
306N92.5Very high95.6Very high94 Ų9429.5 Ų29.550%0.50316%0.156SC..THydrogen-bonded Turntrans-98.632.3-177.6-65.5-26.3000112.6G304 A308 E333 A334G304-N306 PolarHBondContact O-N 2.9Å; N306-A308 PolarHBondContact O-N 3.11Å; N306-A308 VanDerWaalsContact O-N 3.16Å; N306-E333 WeakPolarHBondContact ND2-CA 3.27Å; N306-A334 WeakPolarHBondContact CA-O 3.47Å; N306-A334 WeakPolarHBondContact CB-O 3.39Å; N306-A334 PolarHBondContact N-O 3.33Å
307D95.1Very high95.6Very high7 Ų729.2 Ų29.24%0.03715%0.154CC..  trans-64.9115.1175.3-168.8-33.2000111.4N193 K213 G304 E305 F309 M310 H336N193-D307 PolarHBondContact ND2-OD2 2.98Å; K213-D307 PolarHBondContact NZ-O 2.79Å; G304-D307 WeakPolarHBondContact O-CB 3.47Å; G304-D307 PolarHBondContact O-N 2.93Å; E305-D307 PolarHBondContact O-N 3.49Å; D307-F309 VanDerWaalsContact C-N 3.28Å; D307-F309 PolarHBondContact O-N 3.41Å; D307-F309 WeakPolarHBondContact OD1-CA 3.36Å; D307-F309 WeakPolarHBondContact OD1-CB 3.44Å; D307-F309 PolarHBondContact OD1-N 2.74Å; D307-M310 PolarHBondContact OD1-N 3.27Å; D307-H336 IonicContact OD1-CG 3.5Å; D307-H336 IonicContact OD1-ND1 2.84Å; D307-H336 PolarHBondContact OD1-ND1 2.95Å; D307-H336 IonicContact OD2-CE1 3.94Å; D307-H336 IonicContact OD2-CG 3.79Å; D307-H336 IonicContact OD2-ND1 2.87Å; D307-H336 PolarHBondContact OD2-ND1 3.47Å
308A94.4Very high95.5Very high32 Ų3229 Ų2926%0.26415%0.152SC..SBendtrans-73.2-18.7-178.900000113.8S246 T247 N306S246-A308 WeakPolarHBondContact O-CB 3.3Å; T247-A308 HydrophobicContact CG2-CB 3.82Å; N306-A308 PolarHBondContact O-N 3.11Å; N306-A308 VanDerWaalsContact O-N 3.16Å
309F94.7Very high95.4Very high30 Ų3034.1 Ų34.113%0.13217%0.172CC..SBendtrans-106.5-28.6-171.9-53.8-76.3000112.6Q210 Y216 L241 T247 D307 H336 W337Q210-F309 PolarHBondContact NE2-O 3.02Å; Y216-F309 HydrophobicContact CE1-CD1 4.01Å; L241-F309 HydrophobicContact CD2-CE1 4.27Å; L241-F309 HydrophobicContact CD2-CZ 3.94Å; T247-F309 HydrophobicContact CG2-CZ 4.08Å; D307-F309 VanDerWaalsContact C-N 3.28Å; D307-F309 PolarHBondContact O-N 3.41Å; D307-F309 WeakPolarHBondContact OD1-CA 3.36Å; D307-F309 WeakPolarHBondContact OD1-CB 3.44Å; D307-F309 PolarHBondContact OD1-N 2.74Å; F309-H336 HydrophobicContact CD2-CB 3.66Å; F309-H336 AromaticContact CD2-CD2 3.77Å; F309-H336 AromaticContact CD2-CG 3.49Å; F309-H336 VanDerWaalsContact CD2-CG 3.49Å; F309-H336 AromaticContact CD2-ND1 3.87Å; F309-H336 HydrophobicContact CE2-CB 3.88Å; F309-H336 AromaticContact CE2-CG 3.96Å; F309-W337 HydrophobicContact CE2-CZ2 4.08Å; F309-W337 HydrophobicContact CZ-CZ2 4.43Å
310M93.9Very high95.2Very high3 Ų338.9 Ų38.92%0.01520%0.196CC..SBendtrans-134.3134.5-175.8-74.5-176.6-80.600113.4N193 F194 P195 W303 D307 M314N193-M310 WeakPolarHBondContact O-CE 3.45Å; F194-M310 HydrophobicContact CD2-CE 4.03Å; F194-M310 HydrophobicContact CD2-SD 4.03Å; F194-M310 HydrophobicContact CE2-SD 4.37Å; P195-M310 VanDerWaalsContact CD-SD 3.57Å; P195-M310 HydrophobicContact CG-SD 4.46Å; W303-M310 HydrophobicContact CH2-CB 3.99Å; W303-M310 HydrophobicContact CH2-SD 4.35Å; W303-M310 HydrophobicContact CZ2-CB 3.6Å; D307-M310 PolarHBondContact OD1-N 3.27Å; M310-M314 HydrophobicContact CB-CE 3.57Å; M310-M314 HydrophobicContact CG-CE 3.83Å
311E94.9Very high95Very high34 Ų3439.5 Ų39.516%0.15920%0.199CC..  trans-72.5136.4174.7-69.9-169130.300112.4Y203 A209 Q210 K213 W303 E313 M314Y203-E311 HydrophobicContact CE1-CB 4.18Å; Y203-E311 WeakPolarHBondContact CE1-OE2 3.23Å; A209-E311 WeakPolarHBondContact CB-OE1 3.33Å; Q210-E311 HydrophobicContact CB-CG 4.39Å; Q210-E311 WeakPolarHBondContact CB-OE2 2.96Å; Q210-E311 PolarHBondContact N-OE2 3.42Å; Q210-E311 VanDerWaalsContact N-OE2 3.14Å; K213-E311 HydrophobicContact CD-CG 4.16Å; W303-E311 VanDerWaalsContact CZ2-O 3.27Å; W303-E311 WeakPolarHBondContact CZ2-O 3.43Å; E311-E313 WeakPolarHBondContact CB-OE2 3.32Å; E311-E313 PolarHBondContact O-N 2.98Å; E311-M314 HydrophobicContact CB-CE 4.19Å; E311-M314 WeakPolarHBondContact O-CB 3.31Å; E311-M314 WeakPolarHBondContact O-CE 3.46Å; E311-M314 PolarHBondContact O-N 3.49Å
312V94.6Very high94.8Very high38 Ų3840.2 Ų40.223%0.2320%0.203CC..THydrogen-bonded Turntrans-65.4-28.7-172.465.90000112.7M314 A315 E316 I330V312-M314 PolarHBondContact O-N 2.8Å; V312-M314 VanDerWaalsContact O-N 3.16Å; V312-A315 WeakPolarHBondContact O-CA 3.45Å; V312-A315 WeakPolarHBondContact O-CB 3.39Å; V312-A315 PolarHBondContact O-N 3.2Å; V312-E316 PolarHBondContact O-N 3.26Å; V312-I330 HydrophobicContact CG2-CD1 3.56Å; V312-I330 HydrophobicContact CG2-CG1 3.99Å; V312-I330 HydrophobicContact CG2-CG2 4.18Å
313E94.8Very high94.2Very high85 Ų8547.1 Ų47.140%0.39723%0.233SC..Hα-helixtrans-58.1-30.5177.4-65.878.818000111.4Y203 E311 A315 E316 V317Y203-E313 HydrophobicContact CE2-CB 3.94Å; Y203-E313 WeakPolarHBondContact OH-CB 3.45Å; E311-E313 WeakPolarHBondContact CB-OE2 3.32Å; E311-E313 PolarHBondContact O-N 2.98Å; E313-A315 VanDerWaalsContact C-N 3.26Å; E313-A315 PolarHBondContact O-N 3.25Å; E313-E316 PolarHBondContact O-N 2.87Å; E313-V317 WeakPolarHBondContact O-CG2 3.49Å; E313-V317 PolarHBondContact O-N 3.3Å
314M94.8Very high93.6Very high0 Ų049.7 Ų49.70%025%0.247CC..Hα-helixtrans-63.6-32.6174-67.4-172.7-77.100112.4P195 V199 F200 Y203 Q210 W303 M310 E311 V312 T318P195-M314 HydrophobicContact CB-CB 3.71Å; P195-M314 HydrophobicContact CG-CB 3.95Å; P195-M314 HydrophobicContact CG-SD 4.04Å; V199-M314 HydrophobicContact CG1-CB 3.93Å; V199-M314 HydrophobicContact CG1-CG 4.18Å; F200-M314 HydrophobicContact CD2-SD 4.46Å; Y203-M314 HydrophobicContact CD1-CG 3.5Å; Y203-M314 VanDerWaalsContact CD1-CG 3.5Å; Y203-M314 HydrophobicContact CD1-SD 3.7Å; Y203-M314 HydrophobicContact CD2-CG 3.63Å; Y203-M314 HydrophobicContact CE1-CG 3.86Å; Y203-M314 HydrophobicContact CE1-SD 4.36Å; Y203-M314 HydrophobicContact CE2-CG 3.98Å; Y203-M314 HydrophobicContact CG-CG 3.39Å; Y203-M314 HydrophobicContact CG-SD 3.92Å; Q210-M314 HydrophobicContact CG-CE 3.89Å; Q210-M314 HydrophobicContact CG-SD 4.15Å; W303-M314 HydrophobicContact CH2-CB 4.23Å; M310-M314 HydrophobicContact CB-CE 3.57Å; M310-M314 HydrophobicContact CG-CE 3.83Å; E311-M314 HydrophobicContact CB-CE 4.19Å; E311-M314 WeakPolarHBondContact O-CB 3.31Å; E311-M314 WeakPolarHBondContact O-CE 3.46Å; E311-M314 PolarHBondContact O-N 3.49Å; V312-M314 PolarHBondContact O-N 2.8Å; V312-M314 VanDerWaalsContact O-N 3.16Å; M314-T318 PolarHBondContact O-N 3.21Å; M314-T318 VanDerWaalsContact O-N 3.13Å; M314-T318 PolarHBondContact O-OG1 3.22Å
315A94.5Very high93.5Very high0 Ų052.3 Ų52.30%026%0.257CS..Hα-helixtrans-66.6-40.8175.600000111.2L301 W303 V312 E313 T318 L328L301-A315 HydrophobicContact CD2-CB 3.93Å; W303-A315 HydrophobicContact CB-CB 4.22Å; W303-A315 HydrophobicContact CD2-CB 3.52Å; W303-A315 HydrophobicContact CE3-CB 3.4Å; W303-A315 VanDerWaalsContact CE3-CB 3.4Å; W303-A315 HydrophobicContact CG-CB 3.88Å; W303-A315 HydrophobicContact CH2-CB 4.38Å; W303-A315 HydrophobicContact CZ3-CB 3.86Å; V312-A315 WeakPolarHBondContact O-CA 3.45Å; V312-A315 WeakPolarHBondContact O-CB 3.39Å; V312-A315 PolarHBondContact O-N 3.2Å; E313-A315 VanDerWaalsContact C-N 3.26Å; E313-A315 PolarHBondContact O-N 3.25Å; A315-T318 WeakPolarHBondContact O-CB 3.38Å; A315-T318 PolarHBondContact O-N 3.37Å; A315-L328 HydrophobicContact CB-CD1 3.83Å; A315-L328 HydrophobicContact CB-CD2 4.24Å
316E93.8Very high93.6Very high101 Ų10149.8 Ų49.847%0.47225%0.245SC..Hα-helixtrans-68.5-39.3179.6-59-168.8145.200112.4V312 E313 T318 K319 L328V312-E316 PolarHBondContact O-N 3.26Å; E313-E316 PolarHBondContact O-N 2.87Å; E316-T318 VanDerWaalsContact C-N 3.3Å; E316-T318 PolarHBondContact O-N 3.01Å; E316-K319 WeakPolarHBondContact O-CD 3.5Å; E316-K319 VanDerWaalsContact O-CG 3.27Å; E316-K319 WeakPolarHBondContact O-CG 3.4Å; E316-L328 HydrophobicContact CG-CD2 4.19Å
317V93.6Very high93.8Very high58 Ų5849.7 Ų49.735%0.35224%0.237SC..Hα-helixtrans-69.3-29.7177.4178.40000111.2V199 E313 K319 I320V199-V317 HydrophobicContact CG1-CB 4.02Å; V199-V317 HydrophobicContact CG1-CG1 4.04Å; V199-V317 HydrophobicContact CG2-CB 4.4Å; V199-V317 HydrophobicContact CG2-CG1 3.88Å; E313-V317 WeakPolarHBondContact O-CG2 3.49Å; E313-V317 PolarHBondContact O-N 3.3Å; V317-K319 PolarHBondContact O-N 3.06Å; V317-I320 HydrophobicContact CG1-CD1 3.94Å; V317-I320 VanDerWaalsContact O-CG1 3.3Å; V317-I320 WeakPolarHBondContact O-CG1 3.44Å; V317-I320 WeakPolarHBondContact O-CG2 3.17Å; V317-I320 PolarHBondContact O-N 3.34Å
318T94.4Very high93.9Very high0 Ų051.8 Ų51.80%025%0.248CC..Hα-helixtrans-52.9-31.3-179.3-70.70000113.6W176 P195 H196 L301 M314 A315 E316 I320 Y321 F326W176-T318 HydrophobicContact CH2-CG2 3.72Å; W176-T318 HydrophobicContact CZ2-CG2 3.57Å; P195-T318 WeakPolarHBondContact CA-OG1 3.5Å; P195-T318 WeakPolarHBondContact CB-OG1 3Å; H196-T318 HydrophobicContact CB-CG2 3.83Å; H196-T318 PolarHBondContact N-OG1 3.01Å; L301-T318 HydrophobicContact CD2-CG2 3.89Å; M314-T318 PolarHBondContact O-N 3.21Å; M314-T318 VanDerWaalsContact O-N 3.13Å; M314-T318 PolarHBondContact O-OG1 3.22Å; A315-T318 WeakPolarHBondContact O-CB 3.38Å; A315-T318 PolarHBondContact O-N 3.37Å; E316-T318 VanDerWaalsContact C-N 3.3Å; E316-T318 PolarHBondContact O-N 3.01Å; T318-I320 PolarHBondContact O-N 3.05Å; T318-Y321 PolarHBondContact O-N 3.17Å; T318-F326 HydrophobicContact CG2-CE2 4.03Å; T318-F326 HydrophobicContact CG2-CZ 4.08Å
319K94.1Very high94.1Very high130 Ų13052 Ų5257%0.56525%0.246SC*.G310 helixtrans-54.8-29.2178.778-169.2175.4-173.70114E316 V317 Y321 V322 F326E316-K319 WeakPolarHBondContact O-CD 3.5Å; E316-K319 VanDerWaalsContact O-CG 3.27Å; E316-K319 WeakPolarHBondContact O-CG 3.4Å; V317-K319 PolarHBondContact O-N 3.06Å; K319-Y321 PolarHBondContact O-N 3.01Å; K319-Y321 VanDerWaalsContact O-N 3.16Å; K319-V322 PolarHBondContact O-N 3.42Å; K319-F326 HydrophobicContact CB-CD1 3.5Å; K319-F326 VanDerWaalsContact CB-CD1 3.5Å; K319-F326 HydrophobicContact CB-CE1 3.51Å; K319-F326 HydrophobicContact CB-CG 4.36Å; K319-F326 HydrophobicContact CB-CZ 4.38Å
320I93.9Very high94.3Very high99 Ų9953.7 Ų53.751%0.50826%0.256SS..G310 helixtrans-67.6-15.5-178.178.2-176.1000112.7M294 V317 T318M294-I320 VanDerWaalsContact CE-O 3.26Å; M294-I320 WeakPolarHBondContact CE-O 3.29Å; V317-I320 HydrophobicContact CG1-CD1 3.94Å; V317-I320 VanDerWaalsContact O-CG1 3.3Å; V317-I320 WeakPolarHBondContact O-CG1 3.44Å; V317-I320 WeakPolarHBondContact O-CG2 3.17Å; V317-I320 PolarHBondContact O-N 3.34Å; T318-I320 PolarHBondContact O-N 3.05Å
321Y94.6Very high94.3Very high14 Ų1454 Ų546%0.05526%0.258CS..G310 helixtrans-991.8-179.7-69.1-82.7000113.5H196 N198 V199 H292 M294 V295 T318 K319H196-Y321 HydrophobicContact CB-CD2 4.31Å; H196-Y321 HydrophobicContact CB-CG 4.41Å; H196-Y321 AromaticContact CE1-CD1 3.65Å; H196-Y321 AromaticContact CE1-CG 3.84Å; H196-Y321 AromaticContact CG-CG 3.83Å; H196-Y321 AromaticContact ND1-CD1 3.79Å; H196-Y321 AromaticContact ND1-CD2 3.94Å; H196-Y321 AromaticContact ND1-CG 3.61Å; N198-Y321 HydrophobicContact CB-CE1 3.77Å; N198-Y321 HydrophobicContact CB-CE2 4.34Å; V199-Y321 HydrophobicContact CG2-CD2 3.54Å; V199-Y321 HydrophobicContact CG2-CE2 3.39Å; H292-Y321 HydrophobicContact CB-CE1 4.29Å; H292-Y321 AromaticContact CD2-CE1 3.48Å; H292-Y321 VanDerWaalsContact CD2-CE1 3.48Å; H292-Y321 WeakPolarHBondContact CD2-CE1 3.48Å; H292-Y321 AromaticContact CD2-CZ 3.75Å; H292-Y321 PolarHBondContact CD2-OH 3.43Å; H292-Y321 PolarHBondContact NE2-OH 3.38Å; M294-Y321 WeakPolarHBondContact CA-O 3.35Å; M294-Y321 VanDerWaalsContact CE-C 3.49Å; M294-Y321 HydrophobicContact SD-CD1 4.48Å; V295-Y321 PolarHBondContact N-O 2.67Å; T318-Y321 PolarHBondContact O-N 3.17Å; K319-Y321 PolarHBondContact O-N 3.01Å; K319-Y321 VanDerWaalsContact O-N 3.16Å
322V95Very high94.2Very high16 Ų1655.9 Ų55.910%0.09728%0.275CS..BIsolated β-bridgetrans-117.8117.4-177.2-172.20000110.2W176 V295 K319 F326W176-V322 HydrophobicContact CH2-CG2 4.01Å; W176-V322 HydrophobicContact CZ3-CG2 4.1Å; V295-V322 HydrophobicContact CB-CG2 4.43Å; V295-V322 WeakPolarHBondContact O-CA 3.39Å; K319-V322 PolarHBondContact O-N 3.42Å; V322-F326 HydrophobicContact CB-CB 4.01Å; V322-F326 HydrophobicContact CB-CD2 4.07Å; V322-F326 HydrophobicContact CB-CG 4.26Å; V322-F326 HydrophobicContact CG1-CB 3.89Å; V322-F326 HydrophobicContact CG1-CD2 4.23Å; V322-F326 HydrophobicContact CG1-CG 4.47Å; V322-F326 HydrophobicContact CG2-CD2 3.72Å; V322-F326 HydrophobicContact CG2-CE2 4.22Å; V322-F326 HydrophobicContact CG2-CG 4.36Å
323K86.7Confident93.9Very high145 Ų14561.1 Ų61.163%0.6330%0.297SS*.SBendtrans-89.4-18.3-166.8-112.3170.3-171.4-1710116M294 V295M294-K323 HydrophobicContact CB-CD 3.96Å; M294-K323 HydrophobicContact CE-CB 4.2Å; M294-K323 HydrophobicContact CE-CD 3.93Å; M294-K323 HydrophobicContact CE-CG 3.54Å; M294-K323 HydrophobicContact CG-CD 3.96Å; V295-K323 PolarHBondContact O-N 3.24Å
324N84.1Confident93.7Very high55 Ų5557.1 Ų57.129%0.29428%0.278SS..SBendtrans-116.3-76.6-169.5-70.1-18.6000113.3T296T296-N324 PolarHBondContact O-ND2 2.91Å
325Y94Very high93.5Very high55 Ų5557.6 Ų57.622%0.21628%0.281CS..  trans-130.2120.8-178.4-174.4-86.7000108.7P298 T299 R327 F353 E356 T358P298-Y325 HydrophobicContact CB-CD1 4.38Å; T299-Y325 PolarHBondContact N-O 2.77Å; Y325-R327 HydrophobicContact CE1-CB 4.17Å; Y325-R327 PolarHBondContact OH-NE 3.48Å; Y325-R327 PolarHBondContact OH-NH2 3.46Å; Y325-F353 HydrophobicContact CD1-CD2 4.46Å; Y325-F353 AromaticContact CD1-CE2 3.72Å; Y325-F353 HydrophobicContact CD1-CE2 3.72Å; Y325-F353 AromaticContact CE1-CD2 3.82Å; Y325-F353 HydrophobicContact CE1-CD2 3.82Å; Y325-F353 AromaticContact CE1-CE2 3.53Å; Y325-F353 HydrophobicContact CE1-CE2 3.53Å; Y325-E356 VanDerWaalsContact OH-CD 3.28Å; Y325-E356 PolarHBondContact OH-OE2 3.34Å; Y325-T358 HydrophobicContact CD1-CG2 3.99Å; Y325-T358 HydrophobicContact CE1-CG2 4.33Å; Y325-T358 HydrophobicContact CG-CG2 4.08Å
326F96.8Very high93.6Very high50 Ų5057.7 Ų57.722%0.21928%0.282CS..EExtended strand (participates in β ladder)trans-132.6126.8177.8-177.6-108.5000109.3T299 L301 T318 K319 V322 L328T299-F326 HydrophobicContact CG2-CD2 4.26Å; T299-F326 HydrophobicContact CG2-CE2 4.37Å; T299-F326 WeakPolarHBondContact O-CA 3.46Å; L301-F326 HydrophobicContact CB-CE2 3.77Å; L301-F326 HydrophobicContact CB-CZ 3.82Å; L301-F326 HydrophobicContact CD2-CE2 4.38Å; L301-F326 HydrophobicContact CD2-CZ 3.96Å; T318-F326 HydrophobicContact CG2-CE2 4.03Å; T318-F326 HydrophobicContact CG2-CZ 4.08Å; K319-F326 HydrophobicContact CB-CD1 3.5Å; K319-F326 VanDerWaalsContact CB-CD1 3.5Å; K319-F326 HydrophobicContact CB-CE1 3.51Å; K319-F326 HydrophobicContact CB-CG 4.36Å; K319-F326 HydrophobicContact CB-CZ 4.38Å; V322-F326 HydrophobicContact CB-CB 4.01Å; V322-F326 HydrophobicContact CB-CD2 4.07Å; V322-F326 HydrophobicContact CB-CG 4.26Å; V322-F326 HydrophobicContact CG1-CB 3.89Å; V322-F326 HydrophobicContact CG1-CD2 4.23Å; V322-F326 HydrophobicContact CG1-CG 4.47Å; V322-F326 HydrophobicContact CG2-CD2 3.72Å; V322-F326 HydrophobicContact CG2-CE2 4.22Å; V322-F326 HydrophobicContact CG2-CG 4.36Å; F326-L328 HydrophobicContact CE1-CB 3.75Å; F326-L328 HydrophobicContact CZ-CB 4.1Å
327R97.3Very high93.7Very high91 Ų9153 Ų5334%0.34326%0.26SS..EExtended strand (participates in β ladder)trans-120.1124.7169.8-178.7172.9-67.9-122.74108.5T299 L300 L301 Y325 E356T299-R327 PolarHBondContact O-N 3.22Å; L300-R327 CarbonylContact C-O 3.6Å; L300-R327 WeakPolarHBondContact CA-O 3.43Å; L300-R327 HydrophobicContact CD1-CB 3.9Å; L300-R327 HydrophobicContact CD1-CG 3.75Å; L301-R327 PolarHBondContact N-O 3.14Å; Y325-R327 HydrophobicContact CE1-CB 4.17Å; Y325-R327 PolarHBondContact OH-NE 3.48Å; Y325-R327 PolarHBondContact OH-NH2 3.46Å; R327-E356 IonicContact CZ-OE1 3.49Å; R327-E356 IonicContact CZ-OE2 3.72Å; R327-E356 IonicContact NE-OE1 3.36Å; R327-E356 IonicContact NE-OE2 3.6Å; R327-E356 IonicContact NH1-OE1 3.84Å; R327-E356 IonicContact NH2-OE1 2.79Å; R327-E356 PolarHBondContact NH2-OE1 3.2Å; R327-E356 IonicContact NH2-OE2 3.85Å; R327-E356 PolarHBondContact NH2-OE2 3.18Å
328L97.9Very high93.8Very high51 Ų5150.2 Ų50.227%0.26724%0.243SC..EExtended strand (participates in β ladder)trans-104135.7167.7172.859.9000108.4L301 W303 A315 E316 F326 I330L301-L328 HydrophobicContact CB-CD1 4.13Å; L301-L328 HydrophobicContact CD2-CD1 4.02Å; L301-L328 HydrophobicContact CG-CD1 3.9Å; L301-L328 CarbonylContact O-C 3.58Å; L301-L328 WeakPolarHBondContact O-CA 3.34Å; W303-L328 HydrophobicContact CB-CD1 4.36Å; A315-L328 HydrophobicContact CB-CD1 3.83Å; A315-L328 HydrophobicContact CB-CD2 4.24Å; E316-L328 HydrophobicContact CG-CD2 4.19Å; F326-L328 HydrophobicContact CE1-CB 3.75Å; F326-L328 HydrophobicContact CZ-CB 4.1Å; L328-I330 HydrophobicContact CD1-CG1 4.23Å; L328-I330 HydrophobicContact CD2-CD1 4.38Å; L328-I330 HydrophobicContact CD2-CG1 4.45Å; L328-I330 HydrophobicContact CG-CG1 4.27Å
329T98.1Very high93.9Very high36 Ų3650.2 Ų50.222%0.22124%0.243CC..EExtended strand (participates in β ladder)trans-134.2116.5168-54.30000108.8L301 L302 W303 L331 L349L301-T329 PolarHBondContact O-N 3.28Å; L302-T329 WeakPolarHBondContact CA-O 3.1Å; W303-T329 PolarHBondContact N-O 3.25Å; T329-L331 HydrophobicContact CG2-CD1 3.95Å; T329-L349 HydrophobicContact CG2-CD1 3.89Å; T329-L349 HydrophobicContact CG2-CD2 4.22Å
330I97.7Very high94Very high67 Ų6744 Ų4434%0.34422%0.216SC..EExtended strand (participates in β ladder)trans-92121.1173.5-59.6163.5000107W303 E305 V312 L328W303-I330 HydrophobicContact CB-CG1 4.29Å; W303-I330 CarbonylContact O-C 3.29Å; W303-I330 WeakPolarHBondContact O-CA 3.49Å; E305-I330 HydrophobicContact CB-CG2 4.08Å; V312-I330 HydrophobicContact CG2-CD1 3.56Å; V312-I330 HydrophobicContact CG2-CG1 3.99Å; V312-I330 HydrophobicContact CG2-CG2 4.18Å; L328-I330 HydrophobicContact CD1-CG1 4.23Å; L328-I330 HydrophobicContact CD2-CD1 4.38Å; L328-I330 HydrophobicContact CD2-CG1 4.45Å; L328-I330 HydrophobicContact CG-CG1 4.27Å
331L95.8Very high94Very high9 Ų939.4 Ų39.45%0.04719%0.192CC..EExtended strand (participates in β ladder)trans-92.6119.7179.6-78.769.9000108.2L302 W303 E305 T329 A334 L338 Q342 I345 V346 L349L302-L331 HydrophobicContact CD2-CD1 4.4Å; W303-L331 PolarHBondContact O-N 3.41Å; E305-L331 WeakPolarHBondContact CB-O 3.11Å; E305-L331 PolarHBondContact N-O 3.43Å; T329-L331 HydrophobicContact CG2-CD1 3.95Å; L331-A334 HydrophobicContact CB-CB 3.67Å; L331-A334 WeakPolarHBondContact O-CB 3.23Å; L331-A334 PolarHBondContact O-N 3.46Å; L331-L338 HydrophobicContact CD1-CD2 4.21Å; L331-L338 HydrophobicContact CD2-CD2 4.2Å; L331-Q342 HydrophobicContact CD2-CB 4.22Å; L331-I345 HydrophobicContact CD2-CB 4.45Å; L331-I345 HydrophobicContact CD2-CG2 3.81Å; L331-I345 HydrophobicContact CG-CG2 4.36Å; L331-V346 HydrophobicContact CD2-CG2 4.11Å; L331-L349 HydrophobicContact CD1-CD1 3.84Å; L331-L349 HydrophobicContact CD2-CD1 4.46Å; L331-L349 HydrophobicContact CG-CD1 4.4Å
332S92.6Very high94Very high73 Ų7339.3 Ų39.351%0.5119%0.192SC..THydrogen-bonded Turntrans-66.6147175.7-169.50000110.9E305 A334 Q342E305-S332 VanDerWaalsContact OE2-CA 3.23Å; E305-S332 WeakPolarHBondContact OE2-CA 3.27Å; E305-S332 WeakPolarHBondContact OE2-CB 3.22Å; E305-S332 PolarHBondContact OE2-OG 2.93Å; S332-A334 PolarHBondContact O-N 3.27Å; S332-Q342 PolarHBondContact O-NE2 2.92Å
333E87.9Confident94.1Very high149 Ų14938.8 Ų38.870%0.69619%0.189SC*.THydrogen-bonded Turntrans60.4-0.3-177.4-54.2-176.2164.100115.4E305 N306E305-E333 PolarHBondContact OE2-N 2.99Å; N306-E333 WeakPolarHBondContact ND2-CA 3.27Å
334A90.2Very high94.6Very high0 Ų037.8 Ų37.80%019%0.191CC..  trans-77.9135.6-179.900000111.3G304 N306 L331 S332 L338 Q342G304-A334 CarbonylContact C-O 3.51Å; G304-A334 WeakPolarHBondContact CA-O 3.18Å; N306-A334 WeakPolarHBondContact CA-O 3.47Å; N306-A334 WeakPolarHBondContact CB-O 3.39Å; N306-A334 PolarHBondContact N-O 3.33Å; L331-A334 HydrophobicContact CB-CB 3.67Å; L331-A334 WeakPolarHBondContact O-CB 3.23Å; L331-A334 PolarHBondContact O-N 3.46Å; S332-A334 PolarHBondContact O-N 3.27Å; A334-L338 HydrophobicContact CB-CD1 4.05Å; A334-L338 HydrophobicContact CB-CG 3.99Å; A334-Q342 HydrophobicContact CB-CG 4.18Å
335S91.5Very high95.2Very high10 Ų1038.1 Ų38.17%0.0719%0.192CC..  trans-73.7-159174.463.90000112.4N193 G248 W337 L338 D341N193-S335 PolarHBondContact ND2-O 3.41Å; G248-S335 VanDerWaalsContact O-CB 3.27Å; G248-S335 WeakPolarHBondContact O-CB 3.37Å; S335-W337 VanDerWaalsContact C-N 3.32Å; S335-W337 PolarHBondContact OG-N 2.93Å; S335-L338 WeakPolarHBondContact O-CD1 3.34Å; S335-D341 WeakPolarHBondContact CB-OD2 3.2Å; S335-D341 PolarHBondContact N-OD2 3.03Å; S335-D341 PolarHBondContact OG-OD2 3.15Å
336H96.1Very high95.4Very high3 Ų335.5 Ų35.51%0.01418%0.182CC..SBendtrans-74.7-22169.8-176.969.1000112.9H168 D169 D307 F309 L338H168-H336 AromaticContact CE1-CD2 3.75Å; H168-H336 AromaticContact CE1-NE2 3.52Å; H168-H336 AromaticContact NE2-CD2 3.68Å; H168-H336 AromaticContact NE2-CE1 3.87Å; H168-H336 AromaticContact NE2-NE2 3.47Å; H168-H336 PolarHBondContact NE2-NE2 3.4Å; H168-H336 PolarHBondContact NE2-O 3.19Å; D169-H336 IonicContact OD2-NE2 3.28Å; D307-H336 IonicContact OD1-CG 3.5Å; D307-H336 IonicContact OD1-ND1 2.84Å; D307-H336 PolarHBondContact OD1-ND1 2.95Å; D307-H336 IonicContact OD2-CE1 3.94Å; D307-H336 IonicContact OD2-CG 3.79Å; D307-H336 IonicContact OD2-ND1 2.87Å; D307-H336 PolarHBondContact OD2-ND1 3.47Å; F309-H336 HydrophobicContact CD2-CB 3.66Å; F309-H336 AromaticContact CD2-CD2 3.77Å; F309-H336 AromaticContact CD2-CG 3.49Å; F309-H336 VanDerWaalsContact CD2-CG 3.49Å; F309-H336 AromaticContact CD2-ND1 3.87Å; F309-H336 HydrophobicContact CE2-CB 3.88Å; F309-H336 AromaticContact CE2-CG 3.96Å; H336-L338 PolarHBondContact O-N 3.31Å
337W96.3Very high95.5Very high2 Ų233.4 Ų33.41%0.00817%0.173CC..  trans-99.846.5-166.8-45.1105000112.9E104 H168 F242 T247 I249 F309 S335 Q339 Q340 D341E104-W337 HydrophobicContact CG-CE3 4.08Å; E104-W337 HydrophobicContact CG-CZ3 3.72Å; H168-W337 AromaticContact CE1-CE3 3.72Å; H168-W337 AromaticContact CE1-CZ3 3.88Å; F242-W337 HydrophobicContact CD1-CD2 4.28Å; F242-W337 HydrophobicContact CD1-CZ2 4.31Å; F242-W337 HydrophobicContact CE1-CD2 4.06Å; F242-W337 HydrophobicContact CE1-CE3 4.06Å; F242-W337 HydrophobicContact CE1-CH2 4.07Å; F242-W337 HydrophobicContact CE1-CZ2 4.04Å; F242-W337 HydrophobicContact CE1-CZ3 4.07Å; T247-W337 PolarHBondContact O-NE1 3.43Å; I249-W337 HydrophobicContact CD1-CB 4.12Å; I249-W337 HydrophobicContact CD1-CG 4.35Å; I249-W337 HydrophobicContact CG1-CB 3.66Å; I249-W337 HydrophobicContact CG1-CG 3.86Å; F309-W337 HydrophobicContact CE2-CZ2 4.08Å; F309-W337 HydrophobicContact CZ-CZ2 4.43Å; S335-W337 VanDerWaalsContact C-N 3.32Å; S335-W337 PolarHBondContact OG-N 2.93Å; W337-Q339 VanDerWaalsContact C-N 3.27Å; W337-Q339 PolarHBondContact O-N 3.32Å; W337-Q339 VanDerWaalsContact O-N 3.11Å; W337-Q340 HydrophobicContact CB-CB 4.48Å; W337-Q340 CarbonylContact O-C 3.47Å; W337-Q340 WeakPolarHBondContact O-CA 3.44Å; W337-Q340 WeakPolarHBondContact O-CB 3.46Å; W337-Q340 PolarHBondContact O-N 2.85Å; W337-D341 WeakPolarHBondContact O-CB 3.34Å; W337-D341 PolarHBondContact O-N 2.97Å
338L95.3Very high95.5Very high0 Ų036.3 Ų36.30%019%0.188CC..Hα-helixtrans-52.1-42.2-165.7-84.558.5000113.9I192 N193 L302 L331 A334 S335 H336 Q340 D341 Q342 V346I192-L338 HydrophobicContact CG2-CB 3.64Å; I192-L338 HydrophobicContact CG2-CD2 4Å; I192-L338 HydrophobicContact CG2-CG 4.25Å; N193-L338 WeakPolarHBondContact OD1-CD1 3.41Å; N193-L338 VanDerWaalsContact OD1-CD2 3.28Å; N193-L338 WeakPolarHBondContact OD1-CD2 3.35Å; L302-L338 HydrophobicContact CB-CD2 4.05Å; L331-L338 HydrophobicContact CD1-CD2 4.21Å; L331-L338 HydrophobicContact CD2-CD2 4.2Å; A334-L338 HydrophobicContact CB-CD1 4.05Å; A334-L338 HydrophobicContact CB-CG 3.99Å; S335-L338 WeakPolarHBondContact O-CD1 3.34Å; H336-L338 PolarHBondContact O-N 3.31Å; L338-Q340 PolarHBondContact O-N 2.78Å; L338-Q340 VanDerWaalsContact O-N 3.11Å; L338-D341 PolarHBondContact O-N 3.21Å; L338-Q342 CarbonylContact O-C 3.56Å; L338-Q342 PolarHBondContact O-N 2.9Å; L338-V346 HydrophobicContact CB-CG2 3.88Å; L338-V346 WeakPolarHBondContact O-CG2 3.36Å
339Q96.9Very high95.6Very high0 Ų035.7 Ų35.70%019%0.185CC..Hα-helixtrans-59-22.8-179.967.7-78.33.100112.9E104 S108 W109 Q112 H168 I192 W337E104-Q339 PolarHBondContact OE1-NE2 3.16Å; E104-Q339 PolarHBondContact OE2-NE2 2.98Å; S108-Q339 WeakPolarHBondContact O-CG 3.49Å; W109-Q339 HydrophobicContact CD2-CG 4.49Å; W109-Q339 HydrophobicContact CE3-CB 3.9Å; W109-Q339 HydrophobicContact CE3-CG 3.99Å; W109-Q339 HydrophobicContact CH2-CB 4.29Å; W109-Q339 HydrophobicContact CH2-CG 4.29Å; W109-Q339 HydrophobicContact CZ3-CB 3.57Å; W109-Q339 HydrophobicContact CZ3-CG 3.88Å; Q112-Q339 PolarHBondContact NE2-O 3.47Å; Q112-Q339 VanDerWaalsContact NE2-O 3.09Å; H168-Q339 PolarHBondContact CD2-OE1 3.36Å; H168-Q339 PolarHBondContact ND1-NE2 3.3Å; I192-Q339 HydrophobicContact CD1-CB 4.18Å; W337-Q339 VanDerWaalsContact C-N 3.27Å; W337-Q339 PolarHBondContact O-N 3.32Å; W337-Q339 VanDerWaalsContact O-N 3.11Å
340Q96.3Very high95.6Very high0 Ų034 Ų340%017%0.174CC..Hα-helixtrans-105.2-33.9177.3-48.7-164.857.300113.1E104 S108 R110 I249 Y264 W337 L338 P343E104-Q340 PolarHBondContact OE1-NE2 2.82Å; S108-Q340 WeakPolarHBondContact O-CG 3.29Å; R110-Q340 VanDerWaalsContact CZ-OE1 3.3Å; I249-Q340 HydrophobicContact CD1-CB 3.64Å; I249-Q340 HydrophobicContact CD1-CG 4.28Å; I249-Q340 HydrophobicContact CG1-CB 4.29Å; Y264-Q340 PolarHBondContact OH-NE2 2.85Å; Y264-Q340 VanDerWaalsContact OH-NE2 3.17Å; Y264-Q340 PolarHBondContact OH-OE1 3.17Å; W337-Q340 HydrophobicContact CB-CB 4.48Å; W337-Q340 CarbonylContact O-C 3.47Å; W337-Q340 WeakPolarHBondContact O-CA 3.44Å; W337-Q340 WeakPolarHBondContact O-CB 3.46Å; W337-Q340 PolarHBondContact O-N 2.85Å; L338-Q340 PolarHBondContact O-N 2.78Å; L338-Q340 VanDerWaalsContact O-N 3.11Å; Q340-P343 WeakPolarHBondContact O-CD 3.46Å
341D93.3Very high95.6Very high2 Ų232.9 Ų32.91%0.01117%0.166CC..Hα-helixtrans-83.8-34.6-172.7-166.833.8000112.6I249 G250 R251 C254 S335 W337 L338I249-D341 HydrophobicContact CG2-CB 4.07Å; G250-D341 PolarHBondContact N-OD1 3.47Å; R251-D341 WeakPolarHBondContact CB-O 3.36Å; R251-D341 VanDerWaalsContact CB-OD1 3.23Å; R251-D341 WeakPolarHBondContact CB-OD1 3.21Å; R251-D341 WeakPolarHBondContact CD-O 3.23Å; R251-D341 PolarHBondContact N-OD1 2.78Å; C254-D341 WeakPolarHBondContact CB-O 3.41Å; S335-D341 WeakPolarHBondContact CB-OD2 3.2Å; S335-D341 PolarHBondContact N-OD2 3.03Å; S335-D341 PolarHBondContact OG-OD2 3.15Å; W337-D341 WeakPolarHBondContact O-CB 3.34Å; W337-D341 PolarHBondContact O-N 2.97Å; L338-D341 PolarHBondContact O-N 3.21Å
342Q95.3Very high95.7Very high11 Ų1135.5 Ų35.55%0.05118%0.182CC..SBendtrans-133.754176.5-49.2-156.89.700111.9R251 L331 S332 A334 L338 D344 I345 V346R251-Q342 VanDerWaalsContact NH1-CG 3.26Å; L331-Q342 HydrophobicContact CD2-CB 4.22Å; S332-Q342 PolarHBondContact O-NE2 2.92Å; A334-Q342 HydrophobicContact CB-CG 4.18Å; L338-Q342 CarbonylContact O-C 3.56Å; L338-Q342 PolarHBondContact O-N 2.9Å; Q342-D344 PolarHBondContact O-N 2.72Å; Q342-I345 HydrophobicContact CB-CB 4.33Å; Q342-I345 PolarHBondContact O-N 2.96Å; Q342-I345 VanDerWaalsContact O-N 3.15Å; Q342-V346 WeakPolarHBondContact O-CG2 3.48Å; Q342-V346 PolarHBondContact O-N 2.96Å
343P96.3Very high96Very high5 Ų532 Ų323%0.03216%0.158CC..Hα-helixtrans-58.1-44-167.521.9-32.7000113Y111 Q340 I345 V346 N347Y111-P343 HydrophobicContact CD1-CB 4.03Å; Y111-P343 HydrophobicContact CD1-CG 4.1Å; Y111-P343 HydrophobicContact CD2-CB 3.79Å; Y111-P343 HydrophobicContact CD2-CG 4.12Å; Y111-P343 HydrophobicContact CE1-CG 4.32Å; Y111-P343 HydrophobicContact CE2-CB 4.48Å; Y111-P343 HydrophobicContact CE2-CG 4.33Å; Y111-P343 HydrophobicContact CG-CB 3.54Å; Y111-P343 HydrophobicContact CG-CG 4.01Å; Q340-P343 WeakPolarHBondContact O-CD 3.46Å; P343-I345 VanDerWaalsContact C-N 3.34Å; P343-I345 PolarHBondContact O-N 3.47Å; P343-V346 PolarHBondContact O-N 3.43Å; P343-N347 WeakPolarHBondContact O-CB 3.45Å; P343-N347 PolarHBondContact O-N 3.15Å; P343-N347 PolarHBondContact O-ND2 3.04Å; P343-N347 PolarHBondContact O-OD1 3.08Å
344D96.4Very high96.4Very high125 Ų12525.9 Ų25.967%0.66813%0.13SC*.Hα-helixtrans-63.8-39-178.5-59.3-31.3000112.4Q342 K348Q342-D344 PolarHBondContact O-N 2.72Å; D344-K348 VanDerWaalsContact O-CB 3.31Å; D344-K348 WeakPolarHBondContact O-CB 3.35Å; D344-K348 PolarHBondContact O-N 3.15Å
345I97.1Very high96.6Very high62 Ų6233.6 Ų33.632%0.31816%0.163SC..Hα-helixtrans-71.3-46.4178.7-64.2178.9000109.8R251 L331 Q342 P343 N347 K348 L349R251-I345 VanDerWaalsContact NH1-CD1 3.32Å; L331-I345 HydrophobicContact CD2-CB 4.45Å; L331-I345 HydrophobicContact CD2-CG2 3.81Å; L331-I345 HydrophobicContact CG-CG2 4.36Å; Q342-I345 HydrophobicContact CB-CB 4.33Å; Q342-I345 PolarHBondContact O-N 2.96Å; Q342-I345 VanDerWaalsContact O-N 3.15Å; P343-I345 VanDerWaalsContact C-N 3.34Å; P343-I345 PolarHBondContact O-N 3.47Å; I345-N347 VanDerWaalsContact C-N 3.33Å; I345-N347 PolarHBondContact O-N 3.14Å; I345-K348 PolarHBondContact O-N 3.01Å; I345-L349 HydrophobicContact CG2-CD1 3.95Å; I345-L349 HydrophobicContact CG2-CG 4.42Å; I345-L349 VanDerWaalsContact O-CG 3.29Å; I345-L349 WeakPolarHBondContact O-CG 3.36Å; I345-L349 PolarHBondContact O-N 3.36Å
346V98.1Very high96.6Very high0 Ų035.1 Ų35.10%017%0.169CC..Hα-helixtrans-57.2-48.5175.9169.70000110.4I192 L302 L331 L338 Q342 P343 K348 L349 I350I192-V346 HydrophobicContact CD1-CG1 3.99Å; L302-V346 HydrophobicContact CD1-CB 4.49Å; L302-V346 HydrophobicContact CD1-CG1 3.93Å; L302-V346 HydrophobicContact CD1-CG2 4.42Å; L331-V346 HydrophobicContact CD2-CG2 4.11Å; L338-V346 HydrophobicContact CB-CG2 3.88Å; L338-V346 WeakPolarHBondContact O-CG2 3.36Å; Q342-V346 WeakPolarHBondContact O-CG2 3.48Å; Q342-V346 PolarHBondContact O-N 2.96Å; P343-V346 PolarHBondContact O-N 3.43Å; V346-K348 PolarHBondContact O-N 3.33Å; V346-L349 PolarHBondContact O-N 3.46Å; V346-I350 HydrophobicContact CG1-CD1 3.73Å; V346-I350 HydrophobicContact CG1-CG1 4.46Å; V346-I350 VanDerWaalsContact O-CG1 3.3Å; V346-I350 WeakPolarHBondContact O-CG1 3.32Å; V346-I350 PolarHBondContact O-N 3.35Å
347N98.6Very high95.6Very high5 Ų542 Ų423%0.02720%0.202CC..Hα-helixtrans-59.7-45.3178.5-72.1-2000111.7Q112 E115 F116 P343 I345 L349 I350 W351Q112-N347 WeakPolarHBondContact CG-OD1 3.34Å; Q112-N347 PolarHBondContact NE2-OD1 2.78Å; E115-N347 WeakPolarHBondContact CB-ND2 3.36Å; E115-N347 HydrophobicContact CG-CB 3.92Å; F116-N347 HydrophobicContact CZ-CB 4.34Å; P343-N347 WeakPolarHBondContact O-CB 3.45Å; P343-N347 PolarHBondContact O-N 3.15Å; P343-N347 PolarHBondContact O-ND2 3.04Å; P343-N347 PolarHBondContact O-OD1 3.08Å; I345-N347 VanDerWaalsContact C-N 3.33Å; I345-N347 PolarHBondContact O-N 3.14Å; N347-L349 PolarHBondContact O-N 3.17Å; N347-I350 PolarHBondContact O-N 2.72Å; N347-W351 PolarHBondContact O-N 2.94Å
348K98.5Very high94.3Very high152 Ų15243.8 Ų43.866%0.66121%0.212SC*.Hα-helixtrans-59.8-45.4175.9-176.3179.4-179.91800111.9D344 I345 V346 W351 T352D344-K348 VanDerWaalsContact O-CB 3.31Å; D344-K348 WeakPolarHBondContact O-CB 3.35Å; D344-K348 PolarHBondContact O-N 3.15Å; I345-K348 PolarHBondContact O-N 3.01Å; V346-K348 PolarHBondContact O-N 3.33Å; K348-W351 PolarHBondContact O-N 2.98Å; K348-T352 PolarHBondContact O-N 3.34Å; K348-T352 PolarHBondContact O-OG1 2.89Å; K348-T352 VanDerWaalsContact O-OG1 3.11Å
349L98.6Very high92.3Very high39 Ų3952.8 Ų52.820%0.20425%0.247CC..Hα-helixtrans-65-41179.3-69.9170000111.8L302 T329 L331 I345 V346 N347 T352 F353L302-L349 HydrophobicContact CD2-CB 4.18Å; L302-L349 HydrophobicContact CD2-CD1 3.8Å; T329-L349 HydrophobicContact CG2-CD1 3.89Å; T329-L349 HydrophobicContact CG2-CD2 4.22Å; L331-L349 HydrophobicContact CD1-CD1 3.84Å; L331-L349 HydrophobicContact CD2-CD1 4.46Å; L331-L349 HydrophobicContact CG-CD1 4.4Å; I345-L349 HydrophobicContact CG2-CD1 3.95Å; I345-L349 HydrophobicContact CG2-CG 4.42Å; I345-L349 VanDerWaalsContact O-CG 3.29Å; I345-L349 WeakPolarHBondContact O-CG 3.36Å; I345-L349 PolarHBondContact O-N 3.36Å; V346-L349 PolarHBondContact O-N 3.46Å; N347-L349 PolarHBondContact O-N 3.17Å; L349-T352 PolarHBondContact O-N 3.22Å; L349-F353 WeakPolarHBondContact O-CB 3.37Å; L349-F353 PolarHBondContact O-N 2.87Å
350I98.6Very high90Very high0 Ų060.7 Ų60.70%028%0.281CS..Hα-helixtrans-60.6-50.1173.2-68.4166.9000109.6F116 I166 I190 L300 L302 V346 N347 T352 F353 L354F116-I350 HydrophobicContact CE1-CB 4.32Å; F116-I350 HydrophobicContact CE1-CG2 3.69Å; F116-I350 HydrophobicContact CE2-CD1 4.27Å; F116-I350 HydrophobicContact CE2-CG2 4.19Å; F116-I350 HydrophobicContact CZ-CB 3.73Å; F116-I350 HydrophobicContact CZ-CD1 4.23Å; F116-I350 HydrophobicContact CZ-CG2 3.41Å; F116-I350 VanDerWaalsContact CZ-CG2 3.41Å; I166-I350 HydrophobicContact CD1-CD1 4.21Å; I166-I350 HydrophobicContact CD1-CG2 4.36Å; I190-I350 HydrophobicContact CG2-CG1 4.17Å; L300-I350 HydrophobicContact CD2-CG1 4.49Å; L302-I350 HydrophobicContact CD1-CG1 4.46Å; V346-I350 HydrophobicContact CG1-CD1 3.73Å; V346-I350 HydrophobicContact CG1-CG1 4.46Å; V346-I350 VanDerWaalsContact O-CG1 3.3Å; V346-I350 WeakPolarHBondContact O-CG1 3.32Å; V346-I350 PolarHBondContact O-N 3.35Å; N347-I350 PolarHBondContact O-N 2.72Å; I350-T352 PolarHBondContact O-N 3.46Å; I350-F353 PolarHBondContact O-N 3.07Å; I350-L354 HydrophobicContact CG2-CD1 3.66Å; I350-L354 HydrophobicContact CG2-CG 4.04Å; I350-L354 WeakPolarHBondContact O-CB 3.44Å; I350-L354 VanDerWaalsContact O-CG 3.23Å; I350-L354 WeakPolarHBondContact O-CG 3.28Å; I350-L354 PolarHBondContact O-N 3.1Å
351W98.4Very high87.5Confident44 Ų4469.3 Ų69.317%0.16732%0.318CS..Hα-helixtrans-57.6-45177.4-85.5127000113.5E115 F116 E119 Y120 N347 K348 F353 L354 K355E115-W351 PolarHBondContact OE1-NE1 2.86Å; F116-W351 HydrophobicContact CD1-CD2 4.07Å; F116-W351 AromaticContact CD1-CE2 3.5Å; F116-W351 VanDerWaalsContact CD1-CE2 3.5Å; F116-W351 HydrophobicContact CD1-CE3 4.47Å; F116-W351 AromaticContact CD1-CH2 3.82Å; F116-W351 HydrophobicContact CD1-CH2 3.82Å; F116-W351 AromaticContact CD1-CZ2 3.37Å; F116-W351 HydrophobicContact CD1-CZ2 3.37Å; F116-W351 HydrophobicContact CD1-CZ3 4.36Å; F116-W351 AromaticContact CD1-NE1 3.93Å; F116-W351 AromaticContact CE1-CD1 3.79Å; F116-W351 AromaticContact CE1-CD2 3.62Å; F116-W351 HydrophobicContact CE1-CD2 3.62Å; F116-W351 AromaticContact CE1-CE2 3.36Å; F116-W351 HydrophobicContact CE1-CE3 4.25Å; F116-W351 AromaticContact CE1-CG 3.9Å; F116-W351 HydrophobicContact CE1-CG 3.9Å; F116-W351 HydrophobicContact CE1-CH2 4.36Å; F116-W351 AromaticContact CE1-CZ2 3.78Å; F116-W351 HydrophobicContact CE1-CZ2 3.78Å; F116-W351 AromaticContact CE1-NE1 3.49Å; F116-W351 HydrophobicContact CG-CZ2 4.39Å; E119-W351 HydrophobicContact CB-CH2 3.8Å; E119-W351 HydrophobicContact CB-CZ3 4.44Å; E119-W351 HydrophobicContact CG-CH2 3.57Å; E119-W351 HydrophobicContact CG-CZ2 4.47Å; E119-W351 HydrophobicContact CG-CZ3 4.22Å; Y120-W351 HydrophobicContact CD2-CH2 4.2Å; Y120-W351 AromaticContact CE2-CH2 3.87Å; Y120-W351 HydrophobicContact CE2-CH2 3.87Å; Y120-W351 AromaticContact CE2-CZ3 3.78Å; Y120-W351 HydrophobicContact CE2-CZ3 3.78Å; N347-W351 PolarHBondContact O-N 2.94Å; K348-W351 PolarHBondContact O-N 2.98Å; W351-F353 VanDerWaalsContact C-N 3.33Å; W351-F353 PolarHBondContact O-N 3.38Å; W351-L354 HydrophobicContact CE3-CD1 4.13Å; W351-L354 HydrophobicContact CZ3-CD1 4.32Å; W351-L354 PolarHBondContact O-N 3.39Å; W351-K355 WeakPolarHBondContact O-CG 3.36Å; W351-K355 PolarHBondContact O-N 3.28Å; W351-K355 VanDerWaalsContact O-N 3.08Å
352T98.1Very high85Confident63 Ų6380.2 Ų80.239%0.38738%0.377SS..Hα-helixtrans-56.6-51.1175.8-65.80000110K348 L349 I350 L354 K355 E356K348-T352 PolarHBondContact O-N 3.34Å; K348-T352 PolarHBondContact O-OG1 2.89Å; K348-T352 VanDerWaalsContact O-OG1 3.11Å; L349-T352 PolarHBondContact O-N 3.22Å; I350-T352 PolarHBondContact O-N 3.46Å; T352-L354 PolarHBondContact O-N 3.02Å; T352-K355 PolarHBondContact O-N 3.21Å; T352-E356 WeakPolarHBondContact O-CG 3.15Å; T352-E356 PolarHBondContact O-N 3.32Å
353F97.9Very high84.5Confident0 Ų083.7 Ų83.70%039%0.393CS..Hα-helixtrans-63.7-39.4179.2174-118.6000113.2K188 I190 P298 L300 Y325 L349 I350 W351 K355 E356 T358K188-F353 HydrophobicContact CB-CE1 3.79Å; K188-F353 HydrophobicContact CB-CZ 4.16Å; K188-F353 HydrophobicContact CD-CD1 4.3Å; K188-F353 HydrophobicContact CD-CE1 3.89Å; K188-F353 HydrophobicContact CD-CZ 4.01Å; K188-F353 HydrophobicContact CG-CE1 4.23Å; K188-F353 HydrophobicContact CG-CZ 4.25Å; K188-F353 PolarHBondContact NZ-O 2.95Å; I190-F353 HydrophobicContact CD1-CD1 4.08Å; I190-F353 HydrophobicContact CD1-CE1 4.07Å; I190-F353 HydrophobicContact CG1-CD1 3.74Å; I190-F353 HydrophobicContact CG1-CE1 3.83Å; P298-F353 HydrophobicContact CB-CE2 4.41Å; P298-F353 HydrophobicContact CB-CZ 4.13Å; L300-F353 HydrophobicContact CB-CB 4.37Å; L300-F353 HydrophobicContact CB-CD1 3.54Å; L300-F353 HydrophobicContact CB-CD2 4.13Å; L300-F353 HydrophobicContact CB-CE1 3.71Å; L300-F353 HydrophobicContact CB-CE2 4.31Å; L300-F353 HydrophobicContact CB-CG 3.74Å; L300-F353 HydrophobicContact CB-CZ 4.11Å; L300-F353 HydrophobicContact CD2-CB 3.78Å; L300-F353 HydrophobicContact CD2-CD1 4.04Å; L300-F353 HydrophobicContact CD2-CG 4.05Å; L300-F353 HydrophobicContact CG-CD1 4.42Å; L300-F353 HydrophobicContact CG-CG 4.42Å; Y325-F353 HydrophobicContact CD1-CD2 4.46Å; Y325-F353 AromaticContact CD1-CE2 3.72Å; Y325-F353 HydrophobicContact CD1-CE2 3.72Å; Y325-F353 AromaticContact CE1-CD2 3.82Å; Y325-F353 HydrophobicContact CE1-CD2 3.82Å; Y325-F353 AromaticContact CE1-CE2 3.53Å; Y325-F353 HydrophobicContact CE1-CE2 3.53Å; L349-F353 WeakPolarHBondContact O-CB 3.37Å; L349-F353 PolarHBondContact O-N 2.87Å; I350-F353 PolarHBondContact O-N 3.07Å; W351-F353 VanDerWaalsContact C-N 3.33Å; W351-F353 PolarHBondContact O-N 3.38Å; F353-K355 VanDerWaalsContact C-N 3.3Å; F353-K355 PolarHBondContact O-N 3.08Å; F353-E356 PolarHBondContact O-N 2.91Å; F353-T358 HydrophobicContact CE2-CG2 4.26Å
354L96.9Very high83.8Confident20 Ų2087.8 Ų87.811%0.10541%0.412CS..Hα-helixtrans-61.8-38.1177.8-70.7174.9000111.9M96 F116 Y120 V164 K188 I190 I350 W351 T352M96-L354 HydrophobicContact CE-CD1 3.78Å; F116-L354 HydrophobicContact CD1-CD1 4.43Å; F116-L354 HydrophobicContact CE1-CD1 4.19Å; Y120-L354 HydrophobicContact CE2-CD1 3.93Å; V164-L354 HydrophobicContact CG1-CD2 3.86Å; V164-L354 HydrophobicContact CG2-CD2 3.85Å; K188-L354 HydrophobicContact CD-CD2 4.09Å; K188-L354 PolarHBondContact NZ-O 3.12Å; I190-L354 HydrophobicContact CD1-CD2 4.42Å; I350-L354 HydrophobicContact CG2-CD1 3.66Å; I350-L354 HydrophobicContact CG2-CG 4.04Å; I350-L354 WeakPolarHBondContact O-CB 3.44Å; I350-L354 VanDerWaalsContact O-CG 3.23Å; I350-L354 WeakPolarHBondContact O-CG 3.28Å; I350-L354 PolarHBondContact O-N 3.1Å; W351-L354 HydrophobicContact CE3-CD1 4.13Å; W351-L354 HydrophobicContact CZ3-CD1 4.32Å; W351-L354 PolarHBondContact O-N 3.39Å; T352-L354 PolarHBondContact O-N 3.02Å
355K94.4Very high83.1Confident162 Ų16285.8 Ų85.870%0.70440%0.398SS*.Hα-helixtrans-78.5-15.3-179.6-69175.1-177.8179.60114.4W351 T352 F353W351-K355 WeakPolarHBondContact O-CG 3.36Å; W351-K355 PolarHBondContact O-N 3.28Å; W351-K355 VanDerWaalsContact O-N 3.08Å; T352-K355 PolarHBondContact O-N 3.21Å; F353-K355 VanDerWaalsContact C-N 3.3Å; F353-K355 PolarHBondContact O-N 3.08Å
356E91.4Very high82.3Confident43 Ų4387.2 Ų87.220%0.20140%0.402CS..SBendtrans-70133.3179.9-76.8167.2173.400112.1K188 Y325 R327 T352 F353 T358K188-E356 PolarHBondContact NZ-O 3.24Å; Y325-E356 VanDerWaalsContact OH-CD 3.28Å; Y325-E356 PolarHBondContact OH-OE2 3.34Å; R327-E356 IonicContact CZ-OE1 3.49Å; R327-E356 IonicContact CZ-OE2 3.72Å; R327-E356 IonicContact NE-OE1 3.36Å; R327-E356 IonicContact NE-OE2 3.6Å; R327-E356 IonicContact NH1-OE1 3.84Å; R327-E356 IonicContact NH2-OE1 2.79Å; R327-E356 PolarHBondContact NH2-OE1 3.2Å; R327-E356 IonicContact NH2-OE2 3.85Å; R327-E356 PolarHBondContact NH2-OE2 3.18Å; T352-E356 WeakPolarHBondContact O-CG 3.15Å; T352-E356 PolarHBondContact O-N 3.32Å; F353-E356 PolarHBondContact O-N 2.91Å; E356-T358 PolarHBondContact O-N 3.1Å
357E75.3Confident81.3Confident148 Ų14892.6 Ų92.669%0.69243%0.428SS*.  trans-66.1101166.6-78.6-169.7-169.200109.8R359E357-R359 PolarHBondContact O-N 3.34Å; E357-R359 IonicContact OE2-CZ 2.65Å; E357-R359 IonicContact OE2-NE 3.63Å; E357-R359 PolarHBondContact OE2-NE 3.31Å; E357-R359 VanDerWaalsContact OE2-NE 3.1Å; E357-R359 IonicContact OE2-NH2 3.84Å; E357-R359 PolarHBondContact OE2-NH2 3.19Å
358T68.6Low80.2Confident38 Ų3898.5 Ų98.523%0.23345%0.454CS..  trans-89.276.5175.653.40000108.9K188 P298 Y325 F353 E356K188-T358 VanDerWaalsContact NZ-CG2 3.31Å; P298-T358 HydrophobicContact CB-CG2 3.57Å; P298-T358 HydrophobicContact CG-CG2 4.03Å; P298-T358 WeakPolarHBondContact CG-OG1 3.23Å; Y325-T358 HydrophobicContact CD1-CG2 3.99Å; Y325-T358 HydrophobicContact CE1-CG2 4.33Å; Y325-T358 HydrophobicContact CG-CG2 4.08Å; F353-T358 HydrophobicContact CE2-CG2 4.26Å; E356-T358 PolarHBondContact O-N 3.1Å
359R53.5Low78.9Confident190 Ų19094.6 Ų94.672%0.71744%0.44SS*.  trans-64.6136.2175.7-66.8-175.5-172.3-164.90.3109.8E357 K361E357-R359 PolarHBondContact O-N 3.34Å; E357-R359 IonicContact OE2-CZ 2.65Å; E357-R359 IonicContact OE2-NE 3.63Å; E357-R359 PolarHBondContact OE2-NE 3.31Å; E357-R359 VanDerWaalsContact OE2-NE 3.1Å; E357-R359 IonicContact OE2-NH2 3.84Å; E357-R359 PolarHBondContact OE2-NH2 3.19Å; R359-K361 PolarHBondContact O-N 3.48Å
360K48.2Very low77.4Confident166 Ų16698.9 Ų98.972%0.72246%0.458SS*.  trans-63.8125.1162.6-78.4179.5174.1-179.70106.6D362K360-D362 PolarHBondContact O-N 3.12Å
361K43.9Very low75.6Confident181 Ų181107.2 Ų107.279%0.78750%0.496SS*.  trans-72.3114.6160.1-81.8-178.2173.8179.40105.2R359R359-K361 PolarHBondContact O-N 3.48Å
362D40.2Very low73.5Confident231 Ų231112.9 Ų112.9100%1.23553%0.526SS*.  trans-58.20176.3-68.2-36.4000112K360K360-D362 PolarHBondContact O-N 3.12Å

Retrieved 362 of 362 residues in 125 ms (Link to these results)

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