A0A087XGW9_POEFO Loading...

Protein kintoun

Required for cytoplasmic pre-assembly of axonemal dyneins, thereby playing a central role in motility in cilia and flagella. Involved in pre-assembly of dynein arm complexes in the cytoplasm before intraflagellar transport loads them for the ciliary compartment.

AlphaFold DB , UniProt , Accession A0A087XGW9, Species POEFO (Poecilia formosa, Amazon molly), Gene DNAAF2, Length 524 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
1M43.1Very low60Low185 Ų185108.4 Ų108.491%0.91155%0.546SS*.  0122.80-76.1178.2179.200106.7Q442M1-Q442 PolarHBondContact SD-NE2 3.25Å
2D49.9Very low61.5Low120 Ų120103.9 Ų103.964%0.64252%0.524SS*.  trans-73127.6-174.9-160.8-5000110.3G4 D5D2-G4 PolarHBondContact O-N 3.49Å; D2-D5 PolarHBondContact O-N 3.36Å
3I59.9Low63.2Low101 Ų101100.4 Ų100.452%0.51852%0.515SS..Hα-helixtrans-63.4-31.4-176.8-73162.2000110.1D5 K6 L7I3-D5 VanDerWaalsContact C-N 3.25Å; I3-D5 PolarHBondContact O-N 3.13Å; I3-K6 PolarHBondContact O-N 2.91Å; I3-L7 HydrophobicContact CG2-CD1 3.57Å; I3-L7 WeakPolarHBondContact O-CD1 3.15Å; I3-L7 PolarHBondContact O-N 3.33Å
4G57.6Low64.6Low19 Ų19101.4 Ų101.420%0.19654%0.536CS..Hα-helixtrans-61.7-27.8179.800000114.4D2 K8D2-G4 PolarHBondContact O-N 3.49Å; G4-K8 WeakPolarHBondContact O-CG 3.36Å
5D60.7Low66Low91 Ų91104.1 Ų104.149%0.48754%0.544SS..Hα-helixtrans-80.6-32.5-179.7-70.5-30.3000112.7D2 I3 K8D2-D5 PolarHBondContact O-N 3.36Å; I3-D5 VanDerWaalsContact C-N 3.25Å; I3-D5 PolarHBondContact O-N 3.13Å; D5-K8 PolarHBondContact O-N 3.3Å; D5-K8 IonicContact OD1-NZ 2.78Å; D5-K8 PolarHBondContact OD1-NZ 3.12Å
6K65.4Low67.1Low123 Ų123102.9 Ų102.954%0.53554%0.535SS..Hα-helixtrans-71.5-35.1176-71.4-171.4176-172.50112.5I3 K8 E9I3-K6 PolarHBondContact O-N 2.91Å; K6-K8 VanDerWaalsContact C-N 3.25Å; K6-K8 PolarHBondContact O-N 3.48Å; K6-E9 PolarHBondContact O-N 2.82Å
7L63.4Low68.1Low17 Ų1798.8 Ų98.89%0.08951%0.513CS..Hα-helixtrans-69.3-22.9179.2-77.4146.4000112.5I3 E9 L10 L12 M17 F20I3-L7 HydrophobicContact CG2-CD1 3.57Å; I3-L7 WeakPolarHBondContact O-CD1 3.15Å; I3-L7 PolarHBondContact O-N 3.33Å; L7-E9 PolarHBondContact O-N 3.06Å; L7-L10 PolarHBondContact O-N 2.84Å; L7-L12 HydrophobicContact CD2-CD1 3.87Å; L7-M17 HydrophobicContact CB-CE 3.44Å; L7-M17 VanDerWaalsContact CB-CE 3.44Å; L7-M17 HydrophobicContact CB-SD 3.21Å; L7-M17 WeakPolarHBondContact CB-SD 3.46Å; L7-M17 HydrophobicContact CD1-SD 4Å; L7-M17 HydrophobicContact CD2-SD 4.47Å; L7-M17 HydrophobicContact CG-SD 4.09Å; L7-M17 WeakPolarHBondContact O-CE 3.43Å; L7-F20 HydrophobicContact CD2-CB 4.33Å
8K60.7Low69Low143 Ų14395.5 Ų95.562%0.62251%0.507SS*.THydrogen-bonded Turntrans-68.4-21176.5-69.7168.2-168.6162.70113.1G4 D5 K6 L10 M17G4-K8 WeakPolarHBondContact O-CG 3.36Å; D5-K8 PolarHBondContact O-N 3.3Å; D5-K8 IonicContact OD1-NZ 2.78Å; D5-K8 PolarHBondContact OD1-NZ 3.12Å; K6-K8 VanDerWaalsContact C-N 3.25Å; K6-K8 PolarHBondContact O-N 3.48Å; K8-L10 VanDerWaalsContact C-N 3.32Å; K8-M17 HydrophobicContact CG-CE 4.23Å
9E63.4Low70Confident123 Ų12399.7 Ų99.758%0.57552%0.516SS*.THydrogen-bonded Turntrans-76.6-21.2176.1-63-174.3173.500112.6K6 L7 R445K6-E9 PolarHBondContact O-N 2.82Å; L7-E9 PolarHBondContact O-N 3.06Å; E9-R445 IonicContact OE2-NH1 2.66Å; E9-R445 PolarHBondContact OE2-NH1 2.96Å
10L67.1Low70.8Confident107 Ų10798.9 Ų98.956%0.5651%0.508SS*.SBendtrans-88.2120.6171-57.2171.9000105.4L7 K8 L12L7-L10 PolarHBondContact O-N 2.84Å; K8-L10 VanDerWaalsContact C-N 3.32Å; L10-L12 HydrophobicContact CB-CD1 3.98Å; L10-L12 HydrophobicContact CB-CG 3.96Å; L10-L12 HydrophobicContact CD1-CD1 4.5Å; L10-L12 PolarHBondContact O-N 3.2Å
11N68.5Low71.6Confident163 Ų16396.6 Ų96.687%0.87250%0.499SS*.  trans-61.863-176.3-62.9-73.9000113.2
12L77.8Confident73.8Confident55 Ų5595.7 Ų95.729%0.28849%0.49SS..  trans-96.3141.2-175.5-65.5172.4000109.2L7 L10 E16 M17 F20L7-L12 HydrophobicContact CD2-CD1 3.87Å; L10-L12 HydrophobicContact CB-CD1 3.98Å; L10-L12 HydrophobicContact CB-CG 3.96Å; L10-L12 HydrophobicContact CD1-CD1 4.5Å; L10-L12 PolarHBondContact O-N 3.2Å; L12-E16 HydrophobicContact CB-CB 4.39Å; L12-M17 HydrophobicContact CB-CE 4.38Å; L12-M17 HydrophobicContact CD1-CE 4.47Å; L12-F20 HydrophobicContact CD1-CD2 4.31Å; L12-F20 HydrophobicContact CD2-CE2 4.48Å
13S83.6Confident75.6Confident58 Ų5891.3 Ų91.341%0.40647%0.47SS..  trans-63.7155.9171.267.50000111E15 E16 M17S13-E15 PolarHBondContact O-N 3.02Å; S13-E16 VanDerWaalsContact CB-OE2 3.31Å; S13-E16 WeakPolarHBondContact CB-OE2 3.41Å; S13-E16 PolarHBondContact N-OE2 3.09Å; S13-E16 PolarHBondContact O-N 3.37Å; S13-E16 WeakPolarHBondContact OG-CB 3.32Å; S13-E16 WeakPolarHBondContact OG-CG 3.39Å; S13-E16 PolarHBondContact OG-N 2.77Å; S13-E16 PolarHBondContact OG-OE2 3.16Å; S13-M17 WeakPolarHBondContact O-CB 3.3Å; S13-M17 PolarHBondContact O-N 2.8Å
14S83Confident76.9Confident115 Ų11589 Ų8980%0.80446%0.456SS*.Hα-helixtrans-59.8-29.3177.6-53.30000112.6G18S14-G18 PolarHBondContact O-N 2.96Å; S14-G18 VanDerWaalsContact O-N 3.12Å
15E85.7Confident78.5Confident141 Ų14195.9 Ų95.966%0.65948%0.481SS*.Hα-helixtrans-70.9-45.7175.1-66.3-174.9-168.500112.2S13 M17 G18 R19S13-E15 PolarHBondContact O-N 3.02Å; E15-M17 VanDerWaalsContact C-N 3.33Å; E15-M17 PolarHBondContact O-N 3.17Å; E15-G18 PolarHBondContact O-N 3.4Å; E15-R19 WeakPolarHBondContact O-CG 3.41Å; E15-R19 PolarHBondContact O-N 3.4Å
16E84.4Confident80.1Confident86 Ų8695.9 Ų95.940%0.40248%0.481SS..Hα-helixtrans-62.3-43.1176.2-71.9162.5143.500111L12 S13 G18 R19 F20L12-E16 HydrophobicContact CB-CB 4.39Å; S13-E16 VanDerWaalsContact CB-OE2 3.31Å; S13-E16 WeakPolarHBondContact CB-OE2 3.41Å; S13-E16 PolarHBondContact N-OE2 3.09Å; S13-E16 PolarHBondContact O-N 3.37Å; S13-E16 WeakPolarHBondContact OG-CB 3.32Å; S13-E16 WeakPolarHBondContact OG-CG 3.39Å; S13-E16 PolarHBondContact OG-N 2.77Å; S13-E16 PolarHBondContact OG-OE2 3.16Å; E16-G18 VanDerWaalsContact C-N 3.3Å; E16-G18 PolarHBondContact O-N 3.04Å; E16-R19 PolarHBondContact O-N 2.89Å; E16-R19 VanDerWaalsContact O-N 3.16Å; E16-F20 WeakPolarHBondContact O-CD2 3.43Å; E16-F20 PolarHBondContact O-N 2.88Å
17M83.2Confident81.3Confident32 Ų3294.4 Ų94.416%0.15849%0.485CS..Hα-helixtrans-54.5-46.5173.7-175.165.567.200111.8L7 K8 L12 S13 E15 T21L7-M17 HydrophobicContact CB-CE 3.44Å; L7-M17 VanDerWaalsContact CB-CE 3.44Å; L7-M17 HydrophobicContact CB-SD 3.21Å; L7-M17 WeakPolarHBondContact CB-SD 3.46Å; L7-M17 HydrophobicContact CD1-SD 4Å; L7-M17 HydrophobicContact CD2-SD 4.47Å; L7-M17 HydrophobicContact CG-SD 4.09Å; L7-M17 WeakPolarHBondContact O-CE 3.43Å; K8-M17 HydrophobicContact CG-CE 4.23Å; L12-M17 HydrophobicContact CB-CE 4.38Å; L12-M17 HydrophobicContact CD1-CE 4.47Å; S13-M17 WeakPolarHBondContact O-CB 3.3Å; S13-M17 PolarHBondContact O-N 2.8Å; E15-M17 VanDerWaalsContact C-N 3.33Å; E15-M17 PolarHBondContact O-N 3.17Å; M17-T21 VanDerWaalsContact O-CB 3.3Å; M17-T21 WeakPolarHBondContact O-CB 3.45Å; M17-T21 PolarHBondContact O-N 2.87Å; M17-T21 PolarHBondContact O-OG1 3.41Å
18G85.1Confident82.6Confident40 Ų40100.1 Ų100.141%0.41251%0.51SS..Hα-helixtrans-63.3-42.6177.300000112.5S14 E15 E16 T21 K22S14-G18 PolarHBondContact O-N 2.96Å; S14-G18 VanDerWaalsContact O-N 3.12Å; E15-G18 PolarHBondContact O-N 3.4Å; E16-G18 VanDerWaalsContact C-N 3.3Å; E16-G18 PolarHBondContact O-N 3.04Å; G18-T21 PolarHBondContact O-N 3.26Å; G18-K22 WeakPolarHBondContact O-CB 3.1Å; G18-K22 PolarHBondContact O-N 3.19Å
19R87.8Confident84.2Confident175 Ų17596.1 Ų96.166%0.6649%0.492SS*.Hα-helixtrans-63.6-47.8176.7-69.9179.5-166.7178.87.5111.8E15 E16 K22 A23E15-R19 WeakPolarHBondContact O-CG 3.41Å; E15-R19 PolarHBondContact O-N 3.4Å; E16-R19 PolarHBondContact O-N 2.89Å; E16-R19 VanDerWaalsContact O-N 3.16Å; R19-K22 PolarHBondContact O-N 2.82Å; R19-A23 WeakPolarHBondContact O-CB 3.35Å; R19-A23 PolarHBondContact O-N 3.2Å
20F85.8Confident85.5Confident83 Ų8396.9 Ų96.936%0.36449%0.49SS..Hα-helixtrans-62.2-45.9176.6-81.2-65.9000111.4L7 L12 E16 K22 A23 F24L7-F20 HydrophobicContact CD2-CB 4.33Å; L12-F20 HydrophobicContact CD1-CD2 4.31Å; L12-F20 HydrophobicContact CD2-CE2 4.48Å; E16-F20 WeakPolarHBondContact O-CD2 3.43Å; E16-F20 PolarHBondContact O-N 2.88Å; F20-K22 PolarHBondContact O-N 2.73Å; F20-A23 PolarHBondContact O-N 2.86Å; F20-A23 VanDerWaalsContact O-N 3.13Å; F20-F24 HydrophobicContact CB-CD2 4.24Å; F20-F24 HydrophobicContact CB-CE2 4.25Å; F20-F24 AromaticContact CD1-CE2 3.92Å; F20-F24 HydrophobicContact CD1-CE2 3.92Å; F20-F24 HydrophobicContact CG-CE2 4.49Å; F20-F24 WeakPolarHBondContact O-CD2 3.35Å; F20-F24 PolarHBondContact O-N 2.8Å
21T86.6Confident86.7Confident51 Ų5197.5 Ų97.531%0.31349%0.49SS..Hα-helixtrans-60.5-34.7178.1-55.90000111.7M17 G18 K25M17-T21 VanDerWaalsContact O-CB 3.3Å; M17-T21 WeakPolarHBondContact O-CB 3.45Å; M17-T21 PolarHBondContact O-N 2.87Å; M17-T21 PolarHBondContact O-OG1 3.41Å; G18-T21 PolarHBondContact O-N 3.26Å; T21-K25 WeakPolarHBondContact O-CG 3.35Å
22K90Very high87.9Confident166 Ų16694.5 Ų94.572%0.72247%0.472SS*.Hα-helixtrans-71.9-44.2174-171.8178.5178-177.60111.8G18 R19 F20 K25G18-K22 WeakPolarHBondContact O-CB 3.1Å; G18-K22 PolarHBondContact O-N 3.19Å; R19-K22 PolarHBondContact O-N 2.82Å; F20-K22 PolarHBondContact O-N 2.73Å; K22-K25 WeakPolarHBondContact O-CB 3.47Å; K22-K25 PolarHBondContact O-N 2.81Å
23A88.4Confident88.5Confident29 Ų2995.9 Ų95.924%0.2448%0.476CS..Hα-helixtrans-63.7-42.4179.100000112.1R19 F20 K25 D26 F29R19-A23 WeakPolarHBondContact O-CB 3.35Å; R19-A23 PolarHBondContact O-N 3.2Å; F20-A23 PolarHBondContact O-N 2.86Å; F20-A23 VanDerWaalsContact O-N 3.13Å; A23-K25 PolarHBondContact O-N 2.87Å; A23-K25 VanDerWaalsContact O-N 3.15Å; A23-D26 WeakPolarHBondContact O-CB 3.33Å; A23-D26 PolarHBondContact O-N 2.85Å; A23-F29 VanDerWaalsContact C-CD1 3.5Å; A23-F29 HydrophobicContact CB-CD1 3.86Å; A23-F29 HydrophobicContact CB-CD2 4.28Å; A23-F29 HydrophobicContact CB-CE1 3.83Å; A23-F29 HydrophobicContact CB-CE2 4.26Å; A23-F29 HydrophobicContact CB-CG 4.08Å; A23-F29 HydrophobicContact CB-CZ 4.04Å; A23-F29 WeakPolarHBondContact O-CB 3.31Å; A23-F29 VanDerWaalsContact O-CD1 3.27Å; A23-F29 WeakPolarHBondContact O-CD1 3.32Å
24F87.4Confident88.7Confident51 Ų5196.4 Ų96.422%0.22448%0.478CS..THydrogen-bonded Turntrans-69.2-7.1176.1-76.7-67.4000114.2F20 F29 R30 F33F20-F24 HydrophobicContact CB-CD2 4.24Å; F20-F24 HydrophobicContact CB-CE2 4.25Å; F20-F24 AromaticContact CD1-CE2 3.92Å; F20-F24 HydrophobicContact CD1-CE2 3.92Å; F20-F24 HydrophobicContact CG-CE2 4.49Å; F20-F24 WeakPolarHBondContact O-CD2 3.35Å; F20-F24 PolarHBondContact O-N 2.8Å; F24-F29 HydrophobicContact CD1-CD1 4.3Å; F24-F29 AromaticContact CD1-CE1 3.99Å; F24-F29 HydrophobicContact CD1-CE1 3.99Å; F24-F29 AromaticContact CE1-CE1 3.9Å; F24-F29 HydrophobicContact CE1-CE1 3.9Å; F24-F29 HydrophobicContact CE2-CE1 4.45Å; F24-F29 HydrophobicContact CG-CE1 4.3Å; F24-F29 HydrophobicContact CZ-CE1 4.13Å; F24-R30 HydrophobicContact CD1-CG 4.31Å; F24-R30 WeakPolarHBondContact O-CD 3.48Å; F24-F33 AromaticContact CE1-CD1 3.91Å; F24-F33 HydrophobicContact CE1-CD1 3.91Å; F24-F33 HydrophobicContact CE1-CE1 4.05Å; F24-F33 HydrophobicContact CE1-CG 4.25Å; F24-F33 HydrophobicContact CZ-CD1 4.4Å; F24-F33 HydrophobicContact CZ-CE1 4.18Å; F24-F33 HydrophobicContact CZ-CE2 4.48Å; F24-F33 HydrophobicContact CZ-CZ 4.22Å
25K90.6Very high89.1Confident165 Ų16596 Ų9672%0.71746%0.464SS*.THydrogen-bonded Turntrans-83.4-20.4168.6-71.2171.8-177.2-175.60112.4T21 K22 A23T21-K25 WeakPolarHBondContact O-CG 3.35Å; K22-K25 WeakPolarHBondContact O-CB 3.47Å; K22-K25 PolarHBondContact O-N 2.81Å; A23-K25 PolarHBondContact O-N 2.87Å; A23-K25 VanDerWaalsContact O-N 3.15Å
26D93.4Very high89.2Confident90 Ų9095.3 Ų95.348%0.48146%0.456SS..  trans-78.9123.3175.8-174.2-13.1000110A23 K28 F29 R30A23-D26 WeakPolarHBondContact O-CB 3.33Å; A23-D26 PolarHBondContact O-N 2.85Å; D26-K28 VanDerWaalsContact C-N 3.32Å; D26-K28 PolarHBondContact O-N 2.79Å; D26-K28 PolarHBondContact OD1-N 2.74Å; D26-F29 HydrophobicContact CB-CB 4Å; D26-F29 PolarHBondContact O-N 2.85Å; D26-R30 WeakPolarHBondContact O-CG 3.42Å; D26-R30 PolarHBondContact O-N 2.77Å; D26-R30 VanDerWaalsContact O-N 3.13Å
27C90.4Very high89.4Confident92 Ų9294.5 Ų94.562%0.62246%0.457SS*.Hα-helixtrans-62-39.1178.6-66.80000112.1R30 E31C27-R30 PolarHBondContact O-N 2.66Å; C27-E31 PolarHBondContact O-N 3.47Å
28K92.4Very high89.5Confident138 Ų13898.4 Ų98.460%0.647%0.474SS*.Hα-helixtrans-68.5-40-178.9-174.4177.1-179.7178.20111.3D26 E31 M32D26-K28 VanDerWaalsContact C-N 3.32Å; D26-K28 PolarHBondContact O-N 2.79Å; D26-K28 PolarHBondContact OD1-N 2.74Å; K28-E31 PolarHBondContact O-N 2.81Å; K28-M32 HydrophobicContact CG-CE 4.38Å; K28-M32 WeakPolarHBondContact O-CG 3.41Å; K28-M32 PolarHBondContact O-N 2.8Å
29F93.6Very high89.7Confident59 Ų59101.6 Ų101.626%0.25948%0.479SS..Hα-helixtrans-62.8-43.5174.9178.2-95.5000111.5A23 F24 D26 E31 F33A23-F29 VanDerWaalsContact C-CD1 3.5Å; A23-F29 HydrophobicContact CB-CD1 3.86Å; A23-F29 HydrophobicContact CB-CD2 4.28Å; A23-F29 HydrophobicContact CB-CE1 3.83Å; A23-F29 HydrophobicContact CB-CE2 4.26Å; A23-F29 HydrophobicContact CB-CG 4.08Å; A23-F29 HydrophobicContact CB-CZ 4.04Å; A23-F29 WeakPolarHBondContact O-CB 3.31Å; A23-F29 VanDerWaalsContact O-CD1 3.27Å; A23-F29 WeakPolarHBondContact O-CD1 3.32Å; F24-F29 HydrophobicContact CD1-CD1 4.3Å; F24-F29 AromaticContact CD1-CE1 3.99Å; F24-F29 HydrophobicContact CD1-CE1 3.99Å; F24-F29 AromaticContact CE1-CE1 3.9Å; F24-F29 HydrophobicContact CE1-CE1 3.9Å; F24-F29 HydrophobicContact CE2-CE1 4.45Å; F24-F29 HydrophobicContact CG-CE1 4.3Å; F24-F29 HydrophobicContact CZ-CE1 4.13Å; D26-F29 HydrophobicContact CB-CB 4Å; D26-F29 PolarHBondContact O-N 2.85Å; F29-E31 VanDerWaalsContact C-N 3.33Å; F29-E31 PolarHBondContact O-N 2.81Å; F29-F33 HydrophobicContact CE1-CB 4.4Å; F29-F33 HydrophobicContact CZ-CD2 4.39Å; F29-F33 WeakPolarHBondContact O-CB 3.45Å; F29-F33 PolarHBondContact O-N 2.78Å
30R89.8Confident89.5Confident139 Ų13998.3 Ų98.353%0.52547%0.474SS..Hα-helixtrans-61.9-41177-74.2174.261.2-161.3-0.8112.5F24 D26 C27 F33 C34F24-R30 HydrophobicContact CD1-CG 4.31Å; F24-R30 WeakPolarHBondContact O-CD 3.48Å; D26-R30 WeakPolarHBondContact O-CG 3.42Å; D26-R30 PolarHBondContact O-N 2.77Å; D26-R30 VanDerWaalsContact O-N 3.13Å; C27-R30 PolarHBondContact O-N 2.66Å; R30-F33 PolarHBondContact O-N 2.75Å; R30-C34 WeakPolarHBondContact O-CB 3.43Å; R30-C34 PolarHBondContact O-N 2.85Å; R30-C34 PolarHBondContact O-SG 2.8Å
31E93.7Very high89.4Confident120 Ų12098.5 Ų98.556%0.56149%0.485SS*.Hα-helixtrans-61.7-56.2177-174.3170.7-150.100110.8C27 K28 F29 F33 C34 E35C27-E31 PolarHBondContact O-N 3.47Å; K28-E31 PolarHBondContact O-N 2.81Å; F29-E31 VanDerWaalsContact C-N 3.33Å; F29-E31 PolarHBondContact O-N 2.81Å; E31-F33 VanDerWaalsContact C-N 3.26Å; E31-F33 PolarHBondContact O-N 2.82Å; E31-C34 WeakPolarHBondContact O-CB 3.45Å; E31-C34 PolarHBondContact O-N 2.76Å; E31-E35 WeakPolarHBondContact O-CG 3.44Å; E31-E35 PolarHBondContact O-N 3.44Å
32M92.4Very high89.5Confident99 Ų99100.3 Ų100.349%0.48849%0.49SS..Hα-helixtrans-59.7-36.5177.3-65.8-171.4-55.600112.6K28 E35 Y36K28-M32 HydrophobicContact CG-CE 4.38Å; K28-M32 WeakPolarHBondContact O-CG 3.41Å; K28-M32 PolarHBondContact O-N 2.8Å; M32-E35 PolarHBondContact O-N 2.81Å; M32-Y36 WeakPolarHBondContact O-CB 3.41Å; M32-Y36 PolarHBondContact O-N 2.81Å
33F91.3Very high89.3Confident85 Ų8596.6 Ų96.637%0.37348%0.483SS..Hα-helixtrans-67.8-39.6176.5-175.3-95.8000111.8F24 F29 R30 E31 V37F24-F33 AromaticContact CE1-CD1 3.91Å; F24-F33 HydrophobicContact CE1-CD1 3.91Å; F24-F33 HydrophobicContact CE1-CE1 4.05Å; F24-F33 HydrophobicContact CE1-CG 4.25Å; F24-F33 HydrophobicContact CZ-CD1 4.4Å; F24-F33 HydrophobicContact CZ-CE1 4.18Å; F24-F33 HydrophobicContact CZ-CE2 4.48Å; F24-F33 HydrophobicContact CZ-CZ 4.22Å; F29-F33 HydrophobicContact CE1-CB 4.4Å; F29-F33 HydrophobicContact CZ-CD2 4.39Å; F29-F33 WeakPolarHBondContact O-CB 3.45Å; F29-F33 PolarHBondContact O-N 2.78Å; R30-F33 PolarHBondContact O-N 2.75Å; E31-F33 VanDerWaalsContact C-N 3.26Å; E31-F33 PolarHBondContact O-N 2.82Å; F33-V37 HydrophobicContact CD1-CG2 4.16Å; F33-V37 HydrophobicContact CE1-CG2 3.79Å; F33-V37 HydrophobicContact CZ-CG2 3.98Å; F33-V37 WeakPolarHBondContact O-CB 3.48Å; F33-V37 VanDerWaalsContact O-CG2 3.25Å; F33-V37 WeakPolarHBondContact O-CG2 3.42Å; F33-V37 PolarHBondContact O-N 3.36Å
34C87.9Confident89.4Confident69 Ų69101.5 Ų101.547%0.46650%0.501SS..Hα-helixtrans-65.3-44.7173.8-75.80000111.4R30 E31 Y36 V37 Q38R30-C34 WeakPolarHBondContact O-CB 3.43Å; R30-C34 PolarHBondContact O-N 2.85Å; R30-C34 PolarHBondContact O-SG 2.8Å; E31-C34 WeakPolarHBondContact O-CB 3.45Å; E31-C34 PolarHBondContact O-N 2.76Å; C34-Y36 VanDerWaalsContact C-N 3.34Å; C34-Y36 PolarHBondContact O-N 3.48Å; C34-V37 PolarHBondContact O-N 3.01Å; C34-Q38 WeakPolarHBondContact O-CB 3.29Å; C34-Q38 VanDerWaalsContact O-CG 3.24Å; C34-Q38 WeakPolarHBondContact O-CG 3.41Å; C34-Q38 PolarHBondContact O-N 3.46Å
35E91.3Very high89.3Confident105 Ų105100.9 Ų100.949%0.49150%0.5SS..Hα-helixtrans-57.6-47.5175.1-71.3173.6174.200110.9E31 M32 V37 Q38 E39E31-E35 WeakPolarHBondContact O-CG 3.44Å; E31-E35 PolarHBondContact O-N 3.44Å; M32-E35 PolarHBondContact O-N 2.81Å; E35-V37 PolarHBondContact O-N 2.89Å; E35-Q38 WeakPolarHBondContact O-CB 3.31Å; E35-Q38 PolarHBondContact O-N 3.2Å; E35-E39 WeakPolarHBondContact O-CB 3.37Å; E35-E39 PolarHBondContact O-N 2.94Å
36Y88.5Confident89.1Confident128 Ų12897.7 Ų97.750%0.50248%0.483SS..Hα-helixtrans-60.6-45.3176.4176.1-108.1000112.7M32 C34 Q38 E39 L40M32-Y36 WeakPolarHBondContact O-CB 3.41Å; M32-Y36 PolarHBondContact O-N 2.81Å; C34-Y36 VanDerWaalsContact C-N 3.34Å; C34-Y36 PolarHBondContact O-N 3.48Å; Y36-Q38 VanDerWaalsContact C-N 3.3Å; Y36-Q38 PolarHBondContact O-N 2.69Å; Y36-E39 PolarHBondContact O-N 2.82Å; Y36-L40 HydrophobicContact CD1-CD1 4.09Å; Y36-L40 HydrophobicContact CE1-CD1 3.43Å; Y36-L40 VanDerWaalsContact CE1-CD1 3.43Å; Y36-L40 HydrophobicContact CE1-CG 4.25Å; Y36-L40 HydrophobicContact CE2-CD1 4.08Å; Y36-L40 HydrophobicContact CE2-CD2 4.35Å; Y36-L40 HydrophobicContact CE2-CG 4.12Å; Y36-L40 VanDerWaalsContact CZ-CD1 3.44Å; Y36-L40 WeakPolarHBondContact O-CG 3.46Å; Y36-L40 PolarHBondContact O-N 3.42Å
37V87.5Confident88.8Confident68 Ų6899.5 Ų99.541%0.41249%0.487SS..Hα-helixtrans-64.8-37.8177.5170.10000111F33 C34 E35 L40 S41F33-V37 HydrophobicContact CD1-CG2 4.16Å; F33-V37 HydrophobicContact CE1-CG2 3.79Å; F33-V37 HydrophobicContact CZ-CG2 3.98Å; F33-V37 WeakPolarHBondContact O-CB 3.48Å; F33-V37 VanDerWaalsContact O-CG2 3.25Å; F33-V37 WeakPolarHBondContact O-CG2 3.42Å; F33-V37 PolarHBondContact O-N 3.36Å; C34-V37 PolarHBondContact O-N 3.01Å; E35-V37 PolarHBondContact O-N 2.89Å; V37-L40 PolarHBondContact O-N 3.06Å; V37-S41 VanDerWaalsContact O-CB 3.27Å; V37-S41 WeakPolarHBondContact O-CB 3.21Å; V37-S41 PolarHBondContact O-N 2.81Å; V37-S41 PolarHBondContact O-OG 3.12Å
38Q86.1Confident88.8Confident114 Ų114101 Ų10153%0.53348%0.483SS..Hα-helixtrans-63-50.1174.4-76.4172.3-4.900110.6C34 E35 Y36 L40 S41 E42C34-Q38 WeakPolarHBondContact O-CB 3.29Å; C34-Q38 VanDerWaalsContact O-CG 3.24Å; C34-Q38 WeakPolarHBondContact O-CG 3.41Å; C34-Q38 PolarHBondContact O-N 3.46Å; E35-Q38 WeakPolarHBondContact O-CB 3.31Å; E35-Q38 PolarHBondContact O-N 3.2Å; Y36-Q38 VanDerWaalsContact C-N 3.3Å; Y36-Q38 PolarHBondContact O-N 2.69Å; Q38-L40 VanDerWaalsContact C-N 3.27Å; Q38-L40 PolarHBondContact O-N 3.23Å; Q38-S41 WeakPolarHBondContact CA-OG 3.17Å; Q38-S41 PolarHBondContact O-N 2.78Å; Q38-S41 PolarHBondContact O-OG 3.37Å; Q38-E42 WeakPolarHBondContact O-CG 2.93Å; Q38-E42 PolarHBondContact O-N 3.22Å
39E88.8Confident88.6Confident108 Ų108101.2 Ų101.251%0.50548%0.481SS..Hα-helixtrans-55-42.4178-169.5-174.3172.900111.7E35 Y36 N45E35-E39 WeakPolarHBondContact O-CB 3.37Å; E35-E39 PolarHBondContact O-N 2.94Å; Y36-E39 PolarHBondContact O-N 2.82Å; E39-N45 WeakPolarHBondContact CG-ND2 3.49Å; E39-N45 VanDerWaalsContact O-CB 3.31Å; E39-N45 WeakPolarHBondContact O-CB 3.42Å; E39-N45 PolarHBondContact O-ND2 3.17Å
40L83.7Confident88.4Confident105 Ų10599.3 Ų99.355%0.5547%0.473SS..Hα-helixtrans-71.9-30.3175.9-70.9-175.9000114Y36 V37 Q38Y36-L40 HydrophobicContact CD1-CD1 4.09Å; Y36-L40 HydrophobicContact CE1-CD1 3.43Å; Y36-L40 VanDerWaalsContact CE1-CD1 3.43Å; Y36-L40 HydrophobicContact CE1-CG 4.25Å; Y36-L40 HydrophobicContact CE2-CD1 4.08Å; Y36-L40 HydrophobicContact CE2-CD2 4.35Å; Y36-L40 HydrophobicContact CE2-CG 4.12Å; Y36-L40 VanDerWaalsContact CZ-CD1 3.44Å; Y36-L40 WeakPolarHBondContact O-CG 3.46Å; Y36-L40 PolarHBondContact O-N 3.42Å; V37-L40 PolarHBondContact O-N 3.06Å; Q38-L40 VanDerWaalsContact C-N 3.27Å; Q38-L40 PolarHBondContact O-N 3.23Å
41S82.9Confident88.3Confident87 Ų8798.1 Ų98.161%0.60847%0.473SS*.Hα-helixtrans-81-20.2-179.372.70000113V37 Q38V37-S41 VanDerWaalsContact O-CB 3.27Å; V37-S41 WeakPolarHBondContact O-CB 3.21Å; V37-S41 PolarHBondContact O-N 2.81Å; V37-S41 PolarHBondContact O-OG 3.12Å; Q38-S41 WeakPolarHBondContact CA-OG 3.17Å; Q38-S41 PolarHBondContact O-N 2.78Å; Q38-S41 PolarHBondContact O-OG 3.37Å
42E88.6Confident88.2Confident90 Ų9097.9 Ų97.942%0.42147%0.472SS..  trans-65.2126.4-179.9-82.7173.8-17100111.2Q38 E44 N45 R46Q38-E42 WeakPolarHBondContact O-CG 2.93Å; Q38-E42 PolarHBondContact O-N 3.22Å; E42-E44 PolarHBondContact O-N 2.9Å; E42-N45 HydrophobicContact CB-CB 4.44Å; E42-N45 PolarHBondContact O-N 2.72Å; E42-N45 PolarHBondContact OE2-ND2 3.26Å; E42-R46 PolarHBondContact O-N 3.49Å; E42-R46 VanDerWaalsContact O-N 3.12Å
43P86.8Confident88.1Confident87 Ų8794.9 Ų94.957%0.56546%0.458SS*.Hα-helixtrans-65.7-24.5-178.127.1-34.7000112.4K47P43-K47 VanDerWaalsContact O-CG 3.23Å; P43-K47 WeakPolarHBondContact O-CG 3.46Å; P43-K47 PolarHBondContact O-N 3.44Å; P43-K47 VanDerWaalsContact O-N 3.12Å
44E89.4Confident88Confident132 Ų13295.2 Ų95.262%0.61746%0.456SS*.Hα-helixtrans-72.7-45.8177.9-63.3-169.2173.400112.1E42 R46 K47 K48E42-E44 PolarHBondContact O-N 2.9Å; E44-R46 VanDerWaalsContact C-N 3.33Å; E44-R46 PolarHBondContact O-N 3.31Å; E44-K47 WeakPolarHBondContact O-CB 3.37Å; E44-K47 PolarHBondContact O-N 2.85Å; E44-K48 WeakPolarHBondContact O-CG 3.38Å; E44-K48 PolarHBondContact O-N 3.29Å
45N87.3Confident88.1Confident38 Ų3897.8 Ų97.820%0.20346%0.462CS..Hα-helixtrans-67.7-37.2177.4-63.3-22.4000111.2E39 E42 K47 K48 Y49E39-N45 WeakPolarHBondContact CG-ND2 3.49Å; E39-N45 VanDerWaalsContact O-CB 3.31Å; E39-N45 WeakPolarHBondContact O-CB 3.42Å; E39-N45 PolarHBondContact O-ND2 3.17Å; E42-N45 HydrophobicContact CB-CB 4.44Å; E42-N45 PolarHBondContact O-N 2.72Å; E42-N45 PolarHBondContact OE2-ND2 3.26Å; N45-K47 VanDerWaalsContact C-N 3.3Å; N45-K47 PolarHBondContact O-N 2.97Å; N45-K48 PolarHBondContact O-N 3.16Å; N45-Y49 WeakPolarHBondContact O-CB 3.44Å; N45-Y49 PolarHBondContact O-N 2.97Å
46R84.6Confident88Confident99 Ų9996.1 Ų96.137%0.37446%0.456SS..Hα-helixtrans-58.2-42.9171.1-173.2179.3-178.5172.59.6112E42 E44 Y49 E50 Q68 T193E42-R46 PolarHBondContact O-N 3.49Å; E42-R46 VanDerWaalsContact O-N 3.12Å; E44-R46 VanDerWaalsContact C-N 3.33Å; E44-R46 PolarHBondContact O-N 3.31Å; R46-Y49 PolarHBondContact O-N 2.97Å; R46-E50 IonicContact NE-OE1 2.91Å; R46-E50 PolarHBondContact NE-OE1 2.78Å; R46-E50 WeakPolarHBondContact O-CB 3.33Å; R46-E50 WeakPolarHBondContact O-CG 3.36Å; R46-E50 PolarHBondContact O-N 3.48Å; R46-Q68 VanDerWaalsContact CZ-CD 3.41Å; R46-T193 PolarHBondContact NH2-OG1 3.17Å
47K88.3Confident88Confident127 Ų12790.9 Ų90.955%0.55244%0.436SS*.Hα-helixtrans-64.6-45.6176.4-76170-176.4-179.80112P43 E44 N45 Y49 E50 E51P43-K47 VanDerWaalsContact O-CG 3.23Å; P43-K47 WeakPolarHBondContact O-CG 3.46Å; P43-K47 PolarHBondContact O-N 3.44Å; P43-K47 VanDerWaalsContact O-N 3.12Å; E44-K47 WeakPolarHBondContact O-CB 3.37Å; E44-K47 PolarHBondContact O-N 2.85Å; N45-K47 VanDerWaalsContact C-N 3.3Å; N45-K47 PolarHBondContact O-N 2.97Å; K47-Y49 VanDerWaalsContact C-N 3.31Å; K47-Y49 PolarHBondContact O-N 2.87Å; K47-E50 PolarHBondContact O-N 3.39Å; K47-E51 WeakPolarHBondContact O-CB 3.49Å; K47-E51 WeakPolarHBondContact O-CG 3.4Å; K47-E51 PolarHBondContact O-N 2.76Å
48K90.6Very high88Confident125 Ų12592.1 Ų92.154%0.54344%0.437SS..Hα-helixtrans-57.2-45.7175.7-70.7175-174.4166.30111.5E44 N45 E51 E52E44-K48 WeakPolarHBondContact O-CG 3.38Å; E44-K48 PolarHBondContact O-N 3.29Å; N45-K48 PolarHBondContact O-N 3.16Å; K48-E51 WeakPolarHBondContact O-CB 3.26Å; K48-E51 PolarHBondContact O-N 2.87Å; K48-E52 PolarHBondContact O-N 2.77Å
49Y87Confident88.1Confident141 Ų14191.6 Ų91.655%0.55344%0.435SS*.Hα-helixtrans-62-44.8175.7179.9-98.2000112N45 R46 K47 E51 E52 I53N45-Y49 WeakPolarHBondContact O-CB 3.44Å; N45-Y49 PolarHBondContact O-N 2.97Å; R46-Y49 PolarHBondContact O-N 2.97Å; K47-Y49 VanDerWaalsContact C-N 3.31Å; K47-Y49 PolarHBondContact O-N 2.87Å; Y49-E51 VanDerWaalsContact C-N 3.3Å; Y49-E51 PolarHBondContact O-N 2.81Å; Y49-E52 PolarHBondContact O-N 2.88Å; Y49-I53 HydrophobicContact CD1-CG1 4.33Å; Y49-I53 HydrophobicContact CE1-CG1 3.91Å; Y49-I53 HydrophobicContact CE2-CD1 4.39Å; Y49-I53 HydrophobicContact CE2-CG1 4.3Å; Y49-I53 VanDerWaalsContact O-CG1 3.31Å; Y49-I53 WeakPolarHBondContact O-CG1 3.2Å; Y49-I53 PolarHBondContact O-N 2.59Å
50E89.6Confident87.9Confident20 Ų2093.3 Ų93.39%0.09344%0.437CS..Hα-helixtrans-62.1-36.7175.1-74.5-176.7-16500112.1R46 K47 R54 F66 Q68R46-E50 IonicContact NE-OE1 2.91Å; R46-E50 PolarHBondContact NE-OE1 2.78Å; R46-E50 WeakPolarHBondContact O-CB 3.33Å; R46-E50 WeakPolarHBondContact O-CG 3.36Å; R46-E50 PolarHBondContact O-N 3.48Å; K47-E50 PolarHBondContact O-N 3.39Å; E50-R54 VanDerWaalsContact O-CG 3.29Å; E50-R54 WeakPolarHBondContact O-CG 3.41Å; E50-R54 PolarHBondContact O-N 3.25Å; E50-R54 IonicContact OE2-NH2 3.44Å; E50-R54 PolarHBondContact OE2-NH2 3.44Å; E50-F66 HydrophobicContact CB-CD2 3.85Å; E50-F66 HydrophobicContact CB-CE2 3.66Å; E50-F66 HydrophobicContact CB-CG 4.47Å; E50-F66 HydrophobicContact CB-CZ 4.13Å; E50-F66 HydrophobicContact CG-CD1 4.09Å; E50-F66 HydrophobicContact CG-CD2 3.81Å; E50-F66 HydrophobicContact CG-CE1 4.13Å; E50-F66 HydrophobicContact CG-CE2 3.86Å; E50-F66 HydrophobicContact CG-CG 3.92Å; E50-F66 HydrophobicContact CG-CZ 4.02Å; E50-F66 VanDerWaalsContact O-CE2 3.32Å; E50-F66 WeakPolarHBondContact O-CE2 3.37Å; E50-Q68 PolarHBondContact OE1-NE2 2.84Å; E50-Q68 VanDerWaalsContact OE1-NE2 3.09Å
51E89.2Confident88Confident114 Ų11488.6 Ų88.653%0.53341%0.414SS..Hα-helixtrans-67.3-44.3176-75.2169.3-170.300112.2K47 K48 Y49 I53 R54 Q55K47-E51 WeakPolarHBondContact O-CB 3.49Å; K47-E51 WeakPolarHBondContact O-CG 3.4Å; K47-E51 PolarHBondContact O-N 2.76Å; K48-E51 WeakPolarHBondContact O-CB 3.26Å; K48-E51 PolarHBondContact O-N 2.87Å; Y49-E51 VanDerWaalsContact C-N 3.3Å; Y49-E51 PolarHBondContact O-N 2.81Å; E51-I53 PolarHBondContact O-N 3.27Å; E51-R54 WeakPolarHBondContact O-CB 3.44Å; E51-R54 PolarHBondContact O-N 3.5Å; E51-Q55 PolarHBondContact O-N 2.72Å
52E91.1Very high88.3Confident115 Ų11586.6 Ų86.654%0.53740%0.396SS..Hα-helixtrans-60.6-45.4175.9-174.6179.8-174.500111.3K48 Y49 R54 Q55 L56K48-E52 PolarHBondContact O-N 2.77Å; Y49-E52 PolarHBondContact O-N 2.88Å; E52-R54 VanDerWaalsContact C-N 3.33Å; E52-R54 PolarHBondContact O-N 3.3Å; E52-Q55 WeakPolarHBondContact O-CB 3.46Å; E52-Q55 PolarHBondContact O-N 3.24Å; E52-L56 HydrophobicContact CG-CD1 4.45Å; E52-L56 WeakPolarHBondContact O-CG 3.3Å; E52-L56 PolarHBondContact O-N 3.3Å
53I89.4Confident88.2Confident36 Ų3684.6 Ų84.619%0.18539%0.392CS..Hα-helixtrans-64.5-38.2175.9-64.2-69.2000111.5Y49 E51 Q55 L56 E57 F66Y49-I53 HydrophobicContact CD1-CG1 4.33Å; Y49-I53 HydrophobicContact CE1-CG1 3.91Å; Y49-I53 HydrophobicContact CE2-CD1 4.39Å; Y49-I53 HydrophobicContact CE2-CG1 4.3Å; Y49-I53 VanDerWaalsContact O-CG1 3.31Å; Y49-I53 WeakPolarHBondContact O-CG1 3.2Å; Y49-I53 PolarHBondContact O-N 2.59Å; E51-I53 PolarHBondContact O-N 3.27Å; I53-Q55 VanDerWaalsContact C-N 3.31Å; I53-Q55 PolarHBondContact O-N 2.86Å; I53-L56 PolarHBondContact O-N 3.45Å; I53-E57 HydrophobicContact CG2-CG 4.41Å; I53-E57 WeakPolarHBondContact O-CB 3.42Å; I53-E57 WeakPolarHBondContact O-CG 3.4Å; I53-E57 PolarHBondContact O-N 3.23Å; I53-F66 HydrophobicContact CB-CE2 4.48Å; I53-F66 HydrophobicContact CB-CZ 3.81Å; I53-F66 HydrophobicContact CG2-CE1 4.45Å; I53-F66 HydrophobicContact CG2-CE2 4.41Å; I53-F66 HydrophobicContact CG2-CZ 3.6Å
54R89.9Confident88.3Confident91 Ų9180.7 Ų80.734%0.34337%0.367SS..Hα-helixtrans-60.7-43.5173.6-79.1173.7-158.3170.211.6111.1E50 E51 E52 E57 Q58 V64 F66E50-R54 VanDerWaalsContact O-CG 3.29Å; E50-R54 WeakPolarHBondContact O-CG 3.41Å; E50-R54 PolarHBondContact O-N 3.25Å; E50-R54 IonicContact OE2-NH2 3.44Å; E50-R54 PolarHBondContact OE2-NH2 3.44Å; E51-R54 WeakPolarHBondContact O-CB 3.44Å; E51-R54 PolarHBondContact O-N 3.5Å; E52-R54 VanDerWaalsContact C-N 3.33Å; E52-R54 PolarHBondContact O-N 3.3Å; R54-E57 PolarHBondContact O-N 3.42Å; R54-Q58 WeakPolarHBondContact O-CB 3.31Å; R54-Q58 PolarHBondContact O-N 3.03Å; R54-V64 HydrophobicContact CG-CB 4.31Å; R54-V64 HydrophobicContact CG-CG1 4.36Å; R54-F66 HydrophobicContact CG-CE2 4.03Å
55Q89Confident88.2Confident123 Ų12376.2 Ų76.258%0.57535%0.347SS*.Hα-helixtrans-62.8-47.4178.8-175.4174.6-2.800111.4E51 E52 I53 E57 Q58 E59E51-Q55 PolarHBondContact O-N 2.72Å; E52-Q55 WeakPolarHBondContact O-CB 3.46Å; E52-Q55 PolarHBondContact O-N 3.24Å; I53-Q55 VanDerWaalsContact C-N 3.31Å; I53-Q55 PolarHBondContact O-N 2.86Å; Q55-E57 VanDerWaalsContact C-N 3.33Å; Q55-E57 PolarHBondContact O-N 3.32Å; Q55-Q58 WeakPolarHBondContact O-CB 3.48Å; Q55-Q58 PolarHBondContact O-N 3.25Å; Q55-E59 WeakPolarHBondContact O-CG 3.21Å; Q55-E59 PolarHBondContact O-N 3.33Å
56L89.8Confident88.3Confident70 Ų7075 Ų7537%0.36634%0.34SS..Hα-helixtrans-62-37.9178.5-70.6172.6000113E52 I53 R60E52-L56 HydrophobicContact CG-CD1 4.45Å; E52-L56 WeakPolarHBondContact O-CG 3.3Å; E52-L56 PolarHBondContact O-N 3.3Å; I53-L56 PolarHBondContact O-N 3.45Å; L56-R60 WeakPolarHBondContact O-CG 3.27Å; L56-R60 PolarHBondContact O-N 3.37Å
57E88.6Confident88.6Confident19 Ų1970.3 Ų70.39%0.08932%0.322CS..Hα-helixtrans-77.2-32.2177.5-70.4-89.3-156.800111.8I53 R54 Q55 R60 G61 N62 V64 R197I53-E57 HydrophobicContact CG2-CG 4.41Å; I53-E57 WeakPolarHBondContact O-CB 3.42Å; I53-E57 WeakPolarHBondContact O-CG 3.4Å; I53-E57 PolarHBondContact O-N 3.23Å; R54-E57 PolarHBondContact O-N 3.42Å; Q55-E57 VanDerWaalsContact C-N 3.33Å; Q55-E57 PolarHBondContact O-N 3.32Å; E57-R60 CarbonylContact O-C 3.54Å; E57-R60 WeakPolarHBondContact O-CA 3.22Å; E57-R60 WeakPolarHBondContact O-CB 3.44Å; E57-R60 PolarHBondContact O-N 2.6Å; E57-R60 VanDerWaalsContact O-N 3.07Å; E57-G61 PolarHBondContact O-N 3.02Å; E57-N62 CarbonylContact C-O 3.55Å; E57-N62 HydrophobicContact CB-CB 4.49Å; E57-N62 PolarHBondContact O-N 2.81Å; E57-N62 VanDerWaalsContact O-O 3.09Å; E57-V64 HydrophobicContact CB-CB 4.31Å; E57-V64 HydrophobicContact CB-CG2 3.4Å; E57-V64 VanDerWaalsContact CB-CG2 3.4Å; E57-V64 HydrophobicContact CG-CG2 3.72Å; E57-R197 IonicContact OE1-CZ 3.23Å; E57-R197 IonicContact OE1-NE 3.61Å; E57-R197 PolarHBondContact OE1-NE 3.4Å; E57-R197 IonicContact OE1-NH2 3.04Å; E57-R197 PolarHBondContact OE1-NH2 3.24Å; E57-R197 IonicContact OE2-NE 2.77Å
58Q88.4Confident88.7Confident93 Ų9368 Ų6844%0.43531%0.313SS..Hα-helixtrans-63.8-41.4172.4-176.479.519.100111.2R54 Q55 R60 G61 N62 I200R54-Q58 WeakPolarHBondContact O-CB 3.31Å; R54-Q58 PolarHBondContact O-N 3.03Å; Q55-Q58 WeakPolarHBondContact O-CB 3.48Å; Q55-Q58 PolarHBondContact O-N 3.25Å; Q58-R60 PolarHBondContact O-N 3.38Å; Q58-G61 WeakPolarHBondContact O-CA 3.38Å; Q58-G61 PolarHBondContact O-N 3.5Å; Q58-N62 VanDerWaalsContact CA-O 3.28Å; Q58-N62 WeakPolarHBondContact CA-O 3.44Å; Q58-N62 PolarHBondContact N-O 3.32Å; Q58-N62 VanDerWaalsContact N-O 3.15Å; Q58-I200 HydrophobicContact CG-CD1 4.19Å
59E87Confident88.8Confident104 Ų10462.5 Ų62.549%0.48629%0.29SS..Hα-helixtrans-60.5-28.4172.3-74.4172.3-16800112Q55 G61 F203 L208Q55-E59 WeakPolarHBondContact O-CG 3.21Å; Q55-E59 PolarHBondContact O-N 3.33Å; E59-G61 VanDerWaalsContact C-N 3.28Å; E59-F203 VanDerWaalsContact O-CZ 3.26Å; E59-F203 WeakPolarHBondContact O-CZ 3.38Å; E59-L208 WeakPolarHBondContact O-CD2 3.44Å
60R85.1Confident89.1Confident144 Ų14459.9 Ų59.954%0.54329%0.289SS..THydrogen-bonded Turntrans-84.83.5172.9-64.1170.3-178-163.4-1.8113.7L56 E57 Q58L56-R60 WeakPolarHBondContact O-CG 3.27Å; L56-R60 PolarHBondContact O-N 3.37Å; E57-R60 CarbonylContact O-C 3.54Å; E57-R60 WeakPolarHBondContact O-CA 3.22Å; E57-R60 WeakPolarHBondContact O-CB 3.44Å; E57-R60 PolarHBondContact O-N 2.6Å; E57-R60 VanDerWaalsContact O-N 3.07Å; Q58-R60 PolarHBondContact O-N 3.38Å
61G86.1Confident89.4Confident6 Ų661.5 Ų61.56%0.06230%0.301CS..THydrogen-bonded Turntrans85.814.3179.500000115.2E57 Q58 E59 I200 F203E57-G61 PolarHBondContact O-N 3.02Å; Q58-G61 WeakPolarHBondContact O-CA 3.38Å; Q58-G61 PolarHBondContact O-N 3.5Å; E59-G61 VanDerWaalsContact C-N 3.28Å; G61-I200 VanDerWaalsContact C-CD1 3.46Å; G61-I200 WeakPolarHBondContact O-CG1 3.36Å; G61-I200 PolarHBondContact O-N 3.27Å; G61-F203 VanDerWaalsContact CA-CE1 3.49Å; G61-F203 VanDerWaalsContact CA-CG 3.5Å
62N88.4Confident89.6Confident44 Ų4458.3 Ų58.324%0.23529%0.286CS..EExtended strand (participates in β ladder)trans-117.3130.7-179.2-63-46.5000112.4E57 Q58 R198E57-N62 CarbonylContact C-O 3.55Å; E57-N62 HydrophobicContact CB-CB 4.49Å; E57-N62 PolarHBondContact O-N 2.81Å; E57-N62 VanDerWaalsContact O-O 3.09Å; Q58-N62 VanDerWaalsContact CA-O 3.28Å; Q58-N62 WeakPolarHBondContact CA-O 3.44Å; Q58-N62 PolarHBondContact N-O 3.32Å; Q58-N62 VanDerWaalsContact N-O 3.15Å; N62-R198 CarbonylContact C-O 3.53Å; N62-R198 WeakPolarHBondContact CA-O 3.27Å
63S86.8Confident89.8Confident48 Ų4857.2 Ų57.234%0.33628%0.277SS..EExtended strand (participates in β ladder)trans-80.9129.4163.9-1750000109.7R198S63-R198 PolarHBondContact N-O 2.87Å; S63-R198 PolarHBondContact O-N 2.93Å
64V88.3Confident90.1Very high6 Ų655.5 Ų55.54%0.03627%0.268CS..EExtended strand (participates in β ladder)trans-114.6126.8-175.3162.80000112.4R54 E57 F66 I195 I196 R197R54-V64 HydrophobicContact CG-CB 4.31Å; R54-V64 HydrophobicContact CG-CG1 4.36Å; E57-V64 HydrophobicContact CB-CB 4.31Å; E57-V64 HydrophobicContact CB-CG2 3.4Å; E57-V64 VanDerWaalsContact CB-CG2 3.4Å; E57-V64 HydrophobicContact CG-CG2 3.72Å; V64-F66 HydrophobicContact CG1-CD2 4.18Å; V64-F66 HydrophobicContact CG1-CE2 3.82Å; V64-F66 HydrophobicContact CG1-CZ 4.17Å; V64-I195 HydrophobicContact CB-CG2 4.49Å; V64-I195 HydrophobicContact CG1-CG2 3.61Å; V64-I195 HydrophobicContact CG2-CG2 4.17Å; V64-I196 WeakPolarHBondContact CA-O 3.4Å; V64-R197 HydrophobicContact CG2-CG 4.09Å
65D88.8Confident90.4Very high37 Ų3751.1 Ų51.120%0.19825%0.251CS..EExtended strand (participates in β ladder)trans-113.6116.7171.5-92.8-46.6000111.8K94 I196 R198D65-K94 HydrophobicContact CB-CD 4.09Å; D65-K94 IonicContact OD1-NZ 3.26Å; D65-K94 PolarHBondContact OD1-NZ 3.31Å; D65-I196 HydrophobicContact CB-CB 4.4Å; D65-I196 PolarHBondContact N-O 2.97Å; D65-I196 PolarHBondContact O-N 3.28Å; D65-R198 IonicContact OD2-CZ 3.67Å; D65-R198 IonicContact OD2-NH1 3.28Å; D65-R198 PolarHBondContact OD2-NH1 2.86Å; D65-R198 IonicContact OD2-NH2 2.6Å
66F89.6Confident90.6Very high14 Ų1448.3 Ų48.36%0.06124%0.235CC..EExtended strand (participates in β ladder)trans-75.9126.2169.2-67-87.5000110.8E50 I53 R54 V64 K94 T193 C194 I195E50-F66 HydrophobicContact CB-CD2 3.85Å; E50-F66 HydrophobicContact CB-CE2 3.66Å; E50-F66 HydrophobicContact CB-CG 4.47Å; E50-F66 HydrophobicContact CB-CZ 4.13Å; E50-F66 HydrophobicContact CG-CD1 4.09Å; E50-F66 HydrophobicContact CG-CD2 3.81Å; E50-F66 HydrophobicContact CG-CE1 4.13Å; E50-F66 HydrophobicContact CG-CE2 3.86Å; E50-F66 HydrophobicContact CG-CG 3.92Å; E50-F66 HydrophobicContact CG-CZ 4.02Å; E50-F66 VanDerWaalsContact O-CE2 3.32Å; E50-F66 WeakPolarHBondContact O-CE2 3.37Å; I53-F66 HydrophobicContact CB-CE2 4.48Å; I53-F66 HydrophobicContact CB-CZ 3.81Å; I53-F66 HydrophobicContact CG2-CE1 4.45Å; I53-F66 HydrophobicContact CG2-CE2 4.41Å; I53-F66 HydrophobicContact CG2-CZ 3.6Å; R54-F66 HydrophobicContact CG-CE2 4.03Å; V64-F66 HydrophobicContact CG1-CD2 4.18Å; V64-F66 HydrophobicContact CG1-CE2 3.82Å; V64-F66 HydrophobicContact CG1-CZ 4.17Å; F66-K94 VanDerWaalsContact O-CD 3.3Å; F66-K94 WeakPolarHBondContact O-CD 3.26Å; F66-K94 VanDerWaalsContact O-CE 3.24Å; F66-K94 WeakPolarHBondContact O-CE 3.44Å; F66-K94 PolarHBondContact O-NZ 2.91Å; F66-T193 HydrophobicContact CB-CG2 4.21Å; F66-T193 HydrophobicContact CD1-CG2 4.01Å; F66-C194 WeakPolarHBondContact CA-O 3.39Å; F66-I195 HydrophobicContact CD1-CD1 4.27Å; F66-I195 HydrophobicContact CD1-CG1 3.72Å; F66-I195 HydrophobicContact CE1-CD1 3.64Å; F66-I195 HydrophobicContact CE1-CG1 3.61Å; F66-I195 HydrophobicContact CZ-CD1 4.28Å; F66-I195 HydrophobicContact CZ-CG1 4.42Å
67I89.9Confident90.8Very high0 Ų045 Ų450%022%0.219CC..EExtended strand (participates in β ladder)trans-113.1111.7177.6-66.1-167.1000108.3P69 N92 K94 I95 I140 C194 I196I67-P69 WeakPolarHBondContact O-CD 3.37Å; I67-N92 HydrophobicContact CG2-CB 3.78Å; I67-K94 HydrophobicContact CD1-CB 4.5Å; I67-K94 HydrophobicContact CG1-CB 4.37Å; I67-K94 HydrophobicContact CG1-CD 4.39Å; I67-I95 HydrophobicContact CD1-CD1 3.62Å; I67-I95 HydrophobicContact CD1-CG1 4.47Å; I67-I140 HydrophobicContact CG2-CD1 3.61Å; I67-I140 HydrophobicContact CG2-CG2 4.15Å; I67-C194 HydrophobicContact CB-CB 4.19Å; I67-C194 PolarHBondContact N-O 2.85Å; I67-C194 PolarHBondContact O-N 3.48Å; I67-I196 HydrophobicContact CD1-CD1 3.2Å; I67-I196 HydrophobicContact CD1-CG1 3.55Å; I67-I196 HydrophobicContact CG1-CD1 4.31Å; I67-I196 HydrophobicContact CG1-CG1 4.23Å
68Q89.8Confident90.9Very high77 Ų7750.4 Ų50.436%0.3624%0.238SC..  trans-97.5109.8173.3-61.717914.600107.6R46 E50 T70 N92 T193R46-Q68 VanDerWaalsContact CZ-CD 3.41Å; E50-Q68 PolarHBondContact OE1-NE2 2.84Å; E50-Q68 VanDerWaalsContact OE1-NE2 3.09Å; Q68-T70 PolarHBondContact O-N 3.26Å; Q68-N92 PolarHBondContact N-ND2 2.87Å; Q68-N92 PolarHBondContact O-ND2 3.32Å; Q68-T193 HydrophobicContact CG-CG2 3.84Å
69P92.5Very high90.6Very high11 Ų1146.5 Ų46.57%0.07122%0.222CC..PPolyproline II helixtrans-70.5124.3-176.325-31.2000110.9I67 P71 C90 I140 P191 Q192I67-P69 WeakPolarHBondContact O-CD 3.37Å; P69-P71 WeakPolarHBondContact O-CD 3.48Å; P69-C90 HydrophobicContact CB-CB 3.67Å; P69-I140 HydrophobicContact CB-CD1 3.98Å; P69-I140 HydrophobicContact CB-CG1 4.26Å; P69-P191 HydrophobicContact CG-CB 4.33Å; P69-Q192 WeakPolarHBondContact CD-O 3.47Å; P69-Q192 WeakPolarHBondContact CG-O 3.2Å
70T94.1Very high89.6Confident86 Ų8644.6 Ų44.653%0.52822%0.224SC..EExtended strand (participates in β ladder)trans-86.7117.1170.6-59.20000109.3Q68 C90 A91Q68-T70 PolarHBondContact O-N 3.26Å; T70-C90 CarbonylContact O-C 3.53Å; T70-C90 VanDerWaalsContact O-CA 3.25Å; T70-C90 WeakPolarHBondContact O-CA 3.29Å; T70-C90 WeakPolarHBondContact O-CB 3.26Å; T70-A91 WeakPolarHBondContact CB-O 3.48Å; T70-A91 PolarHBondContact N-O 2.91Å; T70-A91 PolarHBondContact O-N 3.15Å
71P95.1Very high88.9Confident54 Ų5441.5 Ų41.535%0.35124%0.238SC..EExtended strand (participates in β ladder)trans-57.9137.9-179.6-32.640.8000114.9P69 K186 Y187 P191P69-P71 WeakPolarHBondContact O-CD 3.48Å; P71-K186 HydrophobicContact CB-CB 4.06Å; P71-Y187 HydrophobicContact CB-CD2 4.38Å; P71-Y187 HydrophobicContact CG-CD2 4.15Å; P71-Y187 HydrophobicContact CG-CG 4.31Å; P71-P191 HydrophobicContact CG-CG 4.3Å
72F94.3Very high88.3Confident46 Ų4649.7 Ų49.720%0.20227%0.271CS..EExtended strand (participates in β ladder)trans-126.5-67.7173-179.6-108.8000112.6I89 L146 M156F72-I89 WeakPolarHBondContact CB-O 3.46Å; F72-I89 HydrophobicContact CD1-CG2 4.13Å; F72-I89 PolarHBondContact N-O 2.86Å; F72-I89 VanDerWaalsContact N-O 3.13Å; F72-L146 HydrophobicContact CB-CD1 3.56Å; F72-L146 HydrophobicContact CD1-CB 4.4Å; F72-L146 HydrophobicContact CD1-CD1 4.01Å; F72-L146 HydrophobicContact CD1-CD2 4.08Å; F72-L146 HydrophobicContact CD1-CG 4.4Å; F72-L146 HydrophobicContact CD2-CB 4.2Å; F72-L146 HydrophobicContact CD2-CD1 4.15Å; F72-L146 HydrophobicContact CE1-CB 4.36Å; F72-L146 HydrophobicContact CE1-CD2 4.31Å; F72-L146 HydrophobicContact CE2-CB 4.17Å; F72-L146 HydrophobicContact CG-CB 4.32Å; F72-L146 HydrophobicContact CG-CD1 3.67Å; F72-L146 HydrophobicContact CG-CG 4.42Å; F72-L146 HydrophobicContact CZ-CB 4.25Å; F72-M156 HydrophobicContact CE1-CE 4.03Å; F72-M156 HydrophobicContact CE1-SD 3.92Å
73R94.5Very high88.2Confident92 Ų9251.2 Ų51.235%0.34728%0.277SS..EExtended strand (participates in β ladder)trans-147.1155.9-177.4-73.4-177.3-177-136.93.3111.3I89 M156 E182R73-I89 PolarHBondContact N-O 2.96Å; R73-I89 WeakPolarHBondContact O-CB 3.13Å; R73-I89 PolarHBondContact O-N 3.24Å; R73-M156 HydrophobicContact CB-CE 4.42Å; R73-E182 VanDerWaalsContact CD-OE1 3.3Å; R73-E182 WeakPolarHBondContact CD-OE1 3.11Å; R73-E182 IonicContact CZ-OE1 2.89Å; R73-E182 IonicContact NE-OE1 3.43Å; R73-E182 IonicContact NH1-OE1 3.49Å; R73-E182 PolarHBondContact NH1-OE1 2.55Å; R73-E182 IonicContact NH1-OE2 3.67Å
74V96.3Very high88.4Confident0 Ų052.5 Ų52.50%028%0.277CS..EExtended strand (participates in β ladder)trans-119.9132.1174.7-175.70000110.1F86 I87 N88 M183 T185 K188V74-F86 HydrophobicContact CG1-CB 4.2Å; V74-F86 HydrophobicContact CG1-CD1 4.09Å; V74-I87 WeakPolarHBondContact CA-O 3.45Å; V74-N88 WeakPolarHBondContact CG2-OD1 3.49Å; V74-M183 HydrophobicContact CB-CB 4.11Å; V74-M183 HydrophobicContact CB-CG 4.38Å; V74-M183 HydrophobicContact CG1-CB 4.43Å; V74-M183 HydrophobicContact CG1-CG 4.17Å; V74-M183 PolarHBondContact O-N 3.36Å; V74-T185 WeakPolarHBondContact CG2-O 3.44Å; V74-K188 HydrophobicContact CG1-CB 4.23Å
75I95.6Very high88.6Confident0 Ų052.2 Ų52.20%028%0.275CS..EExtended strand (participates in β ladder)trans-109.3138.2169.462.4177.2000109.7F86 I87 I89 K160 I164 V180I75-F86 CarbonylContact O-C 3.43Å; I75-F86 WeakPolarHBondContact O-CA 3.44Å; I75-I87 HydrophobicContact CD1-CB 4.12Å; I75-I87 HydrophobicContact CD1-CD1 4.07Å; I75-I87 HydrophobicContact CG1-CB 3.64Å; I75-I87 HydrophobicContact CG1-CD1 4.31Å; I75-I87 HydrophobicContact CG1-CG1 4.31Å; I75-I87 HydrophobicContact CG1-CG2 4.44Å; I75-I87 PolarHBondContact N-O 3.24Å; I75-I87 PolarHBondContact O-N 3.13Å; I75-I89 HydrophobicContact CG2-CD1 4.38Å; I75-K160 HydrophobicContact CD1-CB 4.47Å; I75-K160 HydrophobicContact CG2-CD 4.28Å; I75-K160 HydrophobicContact CG2-CG 4.18Å; I75-I164 HydrophobicContact CD1-CD1 4.11Å; I75-I164 HydrophobicContact CD1-CG1 3.91Å; I75-V180 HydrophobicContact CB-CG1 3.95Å; I75-V180 HydrophobicContact CD1-CG1 4.31Å; I75-V180 HydrophobicContact CG2-CG1 4.3Å
76R94.4Very high88.9Confident63 Ų6351 Ų5124%0.23827%0.268CS..EExtended strand (participates in β ladder)trans-105.6129.1175.2-174-178.276.8-178.16.6108.7C85 F86 V180 R181 M183R76-C85 CarbonylContact C-O 3.58Å; R76-C85 WeakPolarHBondContact CA-O 3.15Å; R76-F86 HydrophobicContact CB-CD1 3.98Å; R76-F86 HydrophobicContact CB-CE1 3.94Å; R76-F86 HydrophobicContact CG-CD1 4.01Å; R76-F86 HydrophobicContact CG-CE1 3.65Å; R76-F86 HydrophobicContact CG-CZ 4.11Å; R76-V180 WeakPolarHBondContact O-CA 3.44Å; R76-R181 PolarHBondContact N-O 2.86Å; R76-R181 PolarHBondContact O-N 3.49Å; R76-M183 HydrophobicContact CB-CG 4.14Å; R76-M183 HydrophobicContact CB-SD 3.96Å
77T93.1Very high89.2Confident2 Ų250.3 Ų50.31%0.01227%0.265CS..EExtended strand (participates in β ladder)trans-133.1177.9173.2-178.20000109.7C85 I87 L175 D176T77-C85 HydrophobicContact CG2-CB 3.83Å; T77-C85 PolarHBondContact N-O 2.89Å; T77-C85 PolarHBondContact O-N 3Å; T77-C85 VanDerWaalsContact O-O 3.07Å; T77-I87 HydrophobicContact CG2-CD1 4.33Å; T77-L175 HydrophobicContact CG2-CB 4.28Å; T77-L175 HydrophobicContact CG2-CD1 4.25Å; T77-L175 HydrophobicContact CG2-CD2 4.15Å; T77-L175 HydrophobicContact CG2-CG 4.46Å; T77-D176 PolarHBondContact OG1-N 2.96Å; T77-D176 PolarHBondContact OG1-O 3.29Å
78R90.1Very high89.5Confident132 Ų13250.3 Ų50.350%0.49827%0.265SS..EExtended strand (participates in β ladder)trans-110.8132.6173.7-67-175.4172.1-170-5109.5Q83 D176 N179R78-Q83 WeakPolarHBondContact CA-O 3.21Å; R78-D176 HydrophobicContact CB-CB 4.29Å; R78-D176 PolarHBondContact O-N 3.46Å; R78-N179 WeakPolarHBondContact CD-ND2 3.32Å
79G81.9Confident89.8Confident10 Ų1046.6 Ų46.610%0.10325%0.248CC..BIsolated β-bridgetrans-91.9177174.800000113.2G81 K82 Q83G79-G81 PolarHBondContact O-N 3.29Å; G79-K82 PolarHBondContact O-N 3.15Å; G79-Q83 PolarHBondContact N-O 2.78Å
80A67.6Low90Very high64 Ų6446.1 Ų46.153%0.52924%0.244SC..THydrogen-bonded Turntrans-50.5125.7170.900000110.4Q83 K174A80-Q83 PolarHBondContact O-NE2 3Å; A80-K174 PolarHBondContact N-O 3.18Å; A80-K174 VanDerWaalsContact N-O 3.16Å
81G69.3Low90Very high80 Ų8042.5 Ų42.583%0.82522%0.224SC*.THydrogen-bonded Turntrans89.212.5-176.300000116.1G79 Q83G79-G81 PolarHBondContact O-N 3.29Å; G81-Q83 PolarHBondContact O-N 3.4Å
82K74.1Confident90Very high177 Ų17740.8 Ų40.877%0.7721%0.212SC*.SBendtrans66.311.9-178.3-54177.4179.7175.40114.9G79G79-K82 PolarHBondContact O-N 3.15Å
83Q85.6Confident90Very high77 Ų7744.6 Ų44.636%0.3623%0.234SC..  trans-63.9143.9171.962.6-175.1-32.200111R78 G79 A80 G81R78-Q83 WeakPolarHBondContact CA-O 3.21Å; G79-Q83 PolarHBondContact N-O 2.78Å; A80-Q83 PolarHBondContact O-NE2 3Å; G81-Q83 PolarHBondContact O-N 3.4Å
84K90.8Very high89.8Confident74 Ų7443.8 Ų43.832%0.32223%0.233SC..EExtended strand (participates in β ladder)trans-72.7132.8175.7-64.1177.4-174.5172.50108.9F86 D128 F134 M135K84-F86 HydrophobicContact CB-CE2 4.14Å; K84-D128 IonicContact NZ-OD2 2.59Å; K84-F134 HydrophobicContact CB-CB 3.89Å; K84-F134 VanDerWaalsContact O-CA 3.26Å; K84-F134 WeakPolarHBondContact O-CA 3.36Å; K84-F134 VanDerWaalsContact O-CB 3.29Å; K84-F134 WeakPolarHBondContact O-CB 3.39Å; K84-M135 PolarHBondContact O-N 3.21Å
85C93.3Very high89.6Confident1 Ų144.4 Ų44.41%0.00724%0.236CC..EExtended strand (participates in β ladder)trans-123.5134.5174.5-62.40000109.1R76 T77 M135 L175R76-C85 CarbonylContact C-O 3.58Å; R76-C85 WeakPolarHBondContact CA-O 3.15Å; T77-C85 HydrophobicContact CG2-CB 3.83Å; T77-C85 PolarHBondContact N-O 2.89Å; T77-C85 PolarHBondContact O-N 3Å; T77-C85 VanDerWaalsContact O-O 3.07Å; C85-M135 CarbonylContact C-O 3.5Å; C85-M135 WeakPolarHBondContact CA-O 3.27Å; C85-L175 HydrophobicContact CB-CD2 4.19Å
86F94.9Very high89.4Confident10 Ų1049.7 Ų49.74%0.04426%0.261CS..EExtended strand (participates in β ladder)trans-116.6134.5175.8-63.5-88.8000108.5V74 I75 R76 K84 F134 M135 I136 Y137 M183 K188V74-F86 HydrophobicContact CG1-CB 4.2Å; V74-F86 HydrophobicContact CG1-CD1 4.09Å; I75-F86 CarbonylContact O-C 3.43Å; I75-F86 WeakPolarHBondContact O-CA 3.44Å; R76-F86 HydrophobicContact CB-CD1 3.98Å; R76-F86 HydrophobicContact CB-CE1 3.94Å; R76-F86 HydrophobicContact CG-CD1 4.01Å; R76-F86 HydrophobicContact CG-CE1 3.65Å; R76-F86 HydrophobicContact CG-CZ 4.11Å; K84-F86 HydrophobicContact CB-CE2 4.14Å; F86-F134 HydrophobicContact CD2-CB 4.16Å; F86-F134 AromaticContact CD2-CD2 3.46Å; F86-F134 HydrophobicContact CD2-CD2 3.46Å; F86-F134 VanDerWaalsContact CD2-CD2 3.46Å; F86-F134 HydrophobicContact CD2-CE2 4.11Å; F86-F134 HydrophobicContact CD2-CG 4.03Å; F86-F134 HydrophobicContact CE2-CB 3.91Å; F86-F134 AromaticContact CE2-CD2 3.65Å; F86-F134 HydrophobicContact CE2-CD2 3.65Å; F86-F134 HydrophobicContact CE2-CE2 4.28Å; F86-F134 AromaticContact CE2-CG 3.79Å; F86-F134 HydrophobicContact CE2-CG 3.79Å; F86-M135 PolarHBondContact N-O 2.96Å; F86-I136 CarbonylContact O-C 3.56Å; F86-I136 VanDerWaalsContact O-CA 3.31Å; F86-I136 WeakPolarHBondContact O-CA 3.37Å; F86-Y137 PolarHBondContact O-N 3Å; F86-M183 HydrophobicContact CD1-CG 4.39Å; F86-M183 HydrophobicContact CE1-CE 4.39Å; F86-M183 HydrophobicContact CE1-CG 4.29Å; F86-M183 HydrophobicContact CE1-SD 4.2Å; F86-K188 HydrophobicContact CB-CB 4.31Å; F86-K188 HydrophobicContact CB-CG 4.19Å; F86-K188 HydrophobicContact CD1-CG 4.37Å; F86-K188 HydrophobicContact CD2-CG 4.28Å; F86-K188 HydrophobicContact CG-CG 4.03Å
87I96.1Very high89.3Confident0 Ų050.6 Ų50.60%027%0.27CS..EExtended strand (participates in β ladder)trans-118.6114.4175.3-51.7173.5000106.8V74 I75 T77 Y137 V139 A163 I164 V167 L175V74-I87 WeakPolarHBondContact CA-O 3.45Å; I75-I87 HydrophobicContact CD1-CB 4.12Å; I75-I87 HydrophobicContact CD1-CD1 4.07Å; I75-I87 HydrophobicContact CG1-CB 3.64Å; I75-I87 HydrophobicContact CG1-CD1 4.31Å; I75-I87 HydrophobicContact CG1-CG1 4.31Å; I75-I87 HydrophobicContact CG1-CG2 4.44Å; I75-I87 PolarHBondContact N-O 3.24Å; I75-I87 PolarHBondContact O-N 3.13Å; T77-I87 HydrophobicContact CG2-CD1 4.33Å; I87-Y137 CarbonylContact C-O 3.5Å; I87-Y137 VanDerWaalsContact CA-O 3.3Å; I87-Y137 WeakPolarHBondContact CA-O 3.36Å; I87-Y137 HydrophobicContact CG1-CD2 4.32Å; I87-V139 HydrophobicContact CG2-CB 4.41Å; I87-V139 HydrophobicContact CG2-CG2 3.47Å; I87-V139 VanDerWaalsContact CG2-CG2 3.47Å; I87-A163 HydrophobicContact CG2-CB 4.4Å; I87-I164 HydrophobicContact CD1-CG1 3.86Å; I87-V167 HydrophobicContact CD1-CG2 4.43Å; I87-V167 HydrophobicContact CG2-CG2 4.47Å; I87-L175 HydrophobicContact CD1-CD1 3.97Å
88N96.1Very high89.3Confident0 Ų051.5 Ų51.50%028%0.276CS..EExtended strand (participates in β ladder)trans-85.9113.1175.5-64.6-36.9000108.8V74 I136 Y137 D138 V139 Y187 K188V74-N88 WeakPolarHBondContact CG2-OD1 3.49Å; N88-I136 WeakPolarHBondContact ND2-CG2 3.41Å; N88-Y137 PolarHBondContact N-O 2.99Å; N88-D138 VanDerWaalsContact CB-OD1 3.32Å; N88-D138 WeakPolarHBondContact CB-OD1 3.18Å; N88-D138 PolarHBondContact ND2-OD1 3.07Å; N88-V139 PolarHBondContact O-N 2.77Å; N88-Y187 HydrophobicContact CB-CD2 3.78Å; N88-Y187 HydrophobicContact CB-CE2 3.66Å; N88-Y187 WeakPolarHBondContact ND2-CE2 3.18Å; N88-Y187 VanDerWaalsContact ND2-CZ 3.28Å; N88-K188 PolarHBondContact ND2-O 3.16Å; N88-K188 PolarHBondContact OD1-N 3.06Å
89I96.6Very high89.5Confident0 Ų049 Ų490%027%0.27CS..EExtended strand (participates in β ladder)trans-85.2119.1171.8-58.7173.5000107.2F72 R73 I75 F141 L146 M156 V159 K160F72-I89 WeakPolarHBondContact CB-O 3.46Å; F72-I89 HydrophobicContact CD1-CG2 4.13Å; F72-I89 PolarHBondContact N-O 2.86Å; F72-I89 VanDerWaalsContact N-O 3.13Å; R73-I89 PolarHBondContact N-O 2.96Å; R73-I89 WeakPolarHBondContact O-CB 3.13Å; R73-I89 PolarHBondContact O-N 3.24Å; I75-I89 HydrophobicContact CG2-CD1 4.38Å; I89-F141 HydrophobicContact CG2-CD2 3.92Å; I89-F141 HydrophobicContact CG2-CE2 4.06Å; I89-L146 HydrophobicContact CG2-CD2 3.72Å; I89-M156 HydrophobicContact CD1-CE 3.86Å; I89-V159 HydrophobicContact CG2-CG1 4.33Å; I89-K160 HydrophobicContact CD1-CG 4.21Å
90C95.8Very high89.9Confident0 Ų052 Ų520%029%0.286CS..EExtended strand (participates in β ladder)trans-127.3162.7-175.2-56.90000111.5P69 T70 V139 I140 F141 Y187P69-C90 HydrophobicContact CB-CB 3.67Å; T70-C90 CarbonylContact O-C 3.53Å; T70-C90 VanDerWaalsContact O-CA 3.25Å; T70-C90 WeakPolarHBondContact O-CA 3.29Å; T70-C90 WeakPolarHBondContact O-CB 3.26Å; C90-V139 PolarHBondContact N-O 2.77Å; C90-I140 HydrophobicContact CB-CG1 4.22Å; C90-I140 WeakPolarHBondContact O-CA 3.35Å; C90-F141 PolarHBondContact O-N 2.85Å; C90-Y187 VanDerWaalsContact SG-CE2 3.58Å
91A95.4Very high91Very high11 Ų1155 Ų559%0.09129%0.287CS..EExtended strand (participates in β ladder)trans-113.6145.5175.800000112.1T70 F141 P143 L146T70-A91 WeakPolarHBondContact CB-O 3.48Å; T70-A91 PolarHBondContact N-O 2.91Å; T70-A91 PolarHBondContact O-N 3.15Å; A91-F141 CarbonylContact C-O 3.46Å; A91-F141 VanDerWaalsContact CA-O 3.25Å; A91-F141 WeakPolarHBondContact CA-O 3.28Å; A91-P143 HydrophobicContact CB-CB 4.13Å; A91-L146 HydrophobicContact CB-CD1 3.42Å; A91-L146 VanDerWaalsContact CB-CD1 3.42Å; A91-L146 HydrophobicContact CB-CG 4.32Å
92N94.8Very high91.9Very high18 Ų1858.2 Ų58.210%0.09628%0.284CS..  trans-153.9139163.1-169.6-82.7000111.1I67 Q68 K94 I95 I140 F141 P143I67-N92 HydrophobicContact CG2-CB 3.78Å; Q68-N92 PolarHBondContact N-ND2 2.87Å; Q68-N92 PolarHBondContact O-ND2 3.32Å; N92-K94 PolarHBondContact O-N 2.9Å; N92-K94 VanDerWaalsContact OD1-CB 3.24Å; N92-K94 WeakPolarHBondContact OD1-CB 3.42Å; N92-K94 WeakPolarHBondContact OD1-CG 2.89Å; N92-K94 PolarHBondContact OD1-N 2.94Å; N92-I95 HydrophobicContact CB-CG1 4.38Å; N92-I95 PolarHBondContact O-N 3.01Å; N92-I140 HydrophobicContact CB-CG2 3.59Å; N92-F141 PolarHBondContact N-O 3.18Å; N92-P143 WeakPolarHBondContact O-CD 3.36Å
93D93.4Very high92.2Very high125 Ų12550.8 Ų50.867%0.66826%0.258SS*.THydrogen-bonded Turntrans-69.2-17.1-177.3-58-59.6000114I95 P143D93-I95 VanDerWaalsContact C-N 3.28Å; D93-I95 PolarHBondContact O-N 3.42Å; D93-P143 WeakPolarHBondContact OD1-CG 3.34Å
94K90.5Very high92.1Very high75 Ų7551.1 Ų51.133%0.32627%0.265SS..THydrogen-bonded Turntrans-81.9-5.8179.6-59-173.1175.1-166.90113.8D65 F66 I67 N92D65-K94 HydrophobicContact CB-CD 4.09Å; D65-K94 IonicContact OD1-NZ 3.26Å; D65-K94 PolarHBondContact OD1-NZ 3.31Å; F66-K94 VanDerWaalsContact O-CD 3.3Å; F66-K94 WeakPolarHBondContact O-CD 3.26Å; F66-K94 VanDerWaalsContact O-CE 3.24Å; F66-K94 WeakPolarHBondContact O-CE 3.44Å; F66-K94 PolarHBondContact O-NZ 2.91Å; I67-K94 HydrophobicContact CD1-CB 4.5Å; I67-K94 HydrophobicContact CG1-CB 4.37Å; I67-K94 HydrophobicContact CG1-CD 4.39Å; N92-K94 PolarHBondContact O-N 2.9Å; N92-K94 VanDerWaalsContact OD1-CB 3.24Å; N92-K94 WeakPolarHBondContact OD1-CB 3.42Å; N92-K94 WeakPolarHBondContact OD1-CG 2.89Å; N92-K94 PolarHBondContact OD1-N 2.94Å
95I91.9Very high91.3Very high13 Ų1347.9 Ų47.97%0.06725%0.251CS..SBendtrans-83.1143.3173.8-58.1-59.1000108.8I67 N92 D93 P117 I140 H142 I196I67-I95 HydrophobicContact CD1-CD1 3.62Å; I67-I95 HydrophobicContact CD1-CG1 4.47Å; N92-I95 HydrophobicContact CB-CG1 4.38Å; N92-I95 PolarHBondContact O-N 3.01Å; D93-I95 VanDerWaalsContact C-N 3.28Å; D93-I95 PolarHBondContact O-N 3.42Å; I95-P117 HydrophobicContact CG2-CB 4.33Å; I95-I140 HydrophobicContact CG1-CG2 4.03Å; I95-H142 HydrophobicContact CB-CB 4.4Å; I95-H142 HydrophobicContact CG2-CB 4.49Å; I95-H142 PolarHBondContact O-CD2 3.06Å; I95-I196 HydrophobicContact CD1-CD1 4.37Å
96Q91.4Very high90.3Very high112 Ų11254 Ų5452%0.52328%0.284SS..PPolyproline II helixtrans-60.9142.7178.9-177.7179.9-11.300112E99 P117Q96-E99 PolarHBondContact NE2-OE1 3.1Å; Q96-P117 HydrophobicContact CB-CB 3.84Å; Q96-P117 HydrophobicContact CB-CG 3.84Å; Q96-P117 HydrophobicContact CG-CG 3.97Å
97N93.4Very high89.5Confident81 Ų8159 Ų5943%0.43331%0.311SS..PPolyproline II helixtrans-61.9150.2178.8-64.838000111.6H142N97-H142 PolarHBondContact OD1-NE2 3.26Å
98P93.1Very high88.7Confident21 Ų2161.7 Ų61.714%0.13634%0.339CS..PPolyproline II helixtrans-66.4138.4173.128.8-34.7000110.8W114 T115 L116 D144 T145 M148P98-W114 HydrophobicContact CB-CZ3 4.49Å; P98-T115 WeakPolarHBondContact CA-O 3.49Å; P98-L116 HydrophobicContact CB-CD2 3.73Å; P98-D144 HydrophobicContact CG-CB 4.4Å; P98-T145 WeakPolarHBondContact CD-OG1 3.33Å; P98-T145 WeakPolarHBondContact CG-OG1 3.38Å; P98-M148 HydrophobicContact CB-CE 4.05Å; P98-M148 HydrophobicContact CG-CE 3.27Å
99E92.8Very high87.8Confident81 Ų8167.3 Ų67.338%0.37936%0.36SS..EExtended strand (participates in β ladder)trans-110.8143.9178.8-67.3178.8-166.800110.4Q96 W114 T115Q96-E99 PolarHBondContact NE2-OE1 3.1Å; E99-W114 WeakPolarHBondContact O-CA 3.33Å; E99-T115 PolarHBondContact N-O 3.45Å; E99-T115 PolarHBondContact O-N 3.33Å
100V91.3Very high87.2Confident71 Ų7178.1 Ų78.143%0.4340%0.401SS..EExtended strand (participates in β ladder)trans-122.2128.2175.564.30000110.1Q112 Y113 W114V100-Q112 HydrophobicContact CG2-CB 3.87Å; V100-Q112 HydrophobicContact CG2-CG 4.19Å; V100-Y113 CarbonylContact C-O 3.55Å; V100-Y113 WeakPolarHBondContact CA-O 3.39Å; V100-W114 HydrophobicContact CB-CD2 4.04Å; V100-W114 HydrophobicContact CB-CE3 3.93Å; V100-W114 HydrophobicContact CB-CH2 4.06Å; V100-W114 HydrophobicContact CB-CZ2 4.14Å; V100-W114 HydrophobicContact CB-CZ3 3.94Å; V100-W114 HydrophobicContact CG1-CH2 4.43Å; V100-W114 HydrophobicContact CG2-CD2 4.03Å; V100-W114 HydrophobicContact CG2-CE3 4.42Å; V100-W114 HydrophobicContact CG2-CH2 4.4Å; V100-W114 HydrophobicContact CG2-CZ2 3.98Å
101K90.3Very high86.6Confident129 Ų12978.7 Ų78.756%0.56141%0.407SS*.EExtended strand (participates in β ladder)trans-115.6128.1172.4-65.3178.1-177.1173.70108.3Y113K101-Y113 PolarHBondContact N-O 2.98Å; K101-Y113 WeakPolarHBondContact O-CB 3.45Å; K101-Y113 PolarHBondContact O-N 3.14Å
102I87.4Confident86.1Confident147 Ų14782.4 Ų82.475%0.75442%0.422SS*.EExtended strand (participates in β ladder)trans-84.1130174.1-58.6169.9000107
103G82Confident85.8Confident21 Ų2184.6 Ų84.622%0.21643%0.43CS..EExtended strand (participates in β ladder)trans-154.1-179.1176.200000112.5G111G103-G111 PolarHBondContact N-O 3.18Å; G103-G111 PolarHBondContact O-N 3.31Å; G103-G111 VanDerWaalsContact O-O 3.07Å
104V83.2Confident85.6Confident83 Ų8382 Ų8250%0.50341%0.41SS..EExtended strand (participates in β ladder)trans-108.2128177.6-169.30000106.5G108 R109 R110 Y113V104-G108 WeakPolarHBondContact CG1-O 3.27Å; V104-R109 CarbonylContact C-O 3.51Å; V104-R109 WeakPolarHBondContact CA-O 3.45Å; V104-R110 HydrophobicContact CG2-CG 4.27Å; V104-Y113 PolarHBondContact O-OH 3.25Å
105S73.3Confident85.7Confident6 Ų680.2 Ų80.24%0.04241%0.406CS..  trans-66.9162.9171.7-55.90000110.5D107 G108 R109 Y113S105-D107 PolarHBondContact O-N 3.02Å; S105-G108 PolarHBondContact O-N 3.04Å; S105-R109 PolarHBondContact N-O 2.96Å; S105-Y113 VanDerWaalsContact CA-OH 3.25Å; S105-Y113 WeakPolarHBondContact CA-OH 3.45Å; S105-Y113 PolarHBondContact N-OH 3.13Å
106D72.5Confident85.9Confident131 Ų13180.3 Ų80.370%0.70141%0.406SS*.THydrogen-bonded Turntrans-58.4-25.9179.1-68.6-2.9000112.2G108 Q482D106-G108 PolarHBondContact O-N 3.17Å; D106-Q482 VanDerWaalsContact CG-NE2 3.26Å; D106-Q482 VanDerWaalsContact CG-OE1 3.31Å; D106-Q482 PolarHBondContact OD2-NE2 2.9Å
107D77.3Confident86Confident114 Ų11475.9 Ų75.961%0.6139%0.387SS*.THydrogen-bonded Turntrans-778173.6-64.1-27.1000114.3S105 R109S105-D107 PolarHBondContact O-N 3.02Å; D107-R109 VanDerWaalsContact C-N 3.25Å; D107-R109 PolarHBondContact O-N 3.23Å
108G79.6Confident86.1Confident56 Ų5674.7 Ų74.758%0.57738%0.377SS*.SBendtrans75.55179.300000115.2V104 S105 D106V104-G108 WeakPolarHBondContact CG1-O 3.27Å; S105-G108 PolarHBondContact O-N 3.04Å; D106-G108 PolarHBondContact O-N 3.17Å
109R78.4Confident86.1Confident119 Ų11974.5 Ų74.545%0.44938%0.377SS..  trans-84.7134.3179.8-60-175.8-165-147.38.2110.8V104 S105 D107 Y480V104-R109 CarbonylContact C-O 3.51Å; V104-R109 WeakPolarHBondContact CA-O 3.45Å; S105-R109 PolarHBondContact N-O 2.96Å; D107-R109 VanDerWaalsContact C-N 3.25Å; D107-R109 PolarHBondContact O-N 3.23Å; R109-Y480 VanDerWaalsContact CZ-CE2 3.45Å; R109-Y480 VanDerWaalsContact CZ-CZ 3.45Å; R109-Y480 PolarHBondContact NH1-OH 2.91Å; R109-Y480 VanDerWaalsContact NH1-OH 3.1Å; R109-Y480 PolarHBondContact NH2-OH 3.15Å
110R82.3Confident86.1Confident226 Ų22671.9 Ų71.985%0.85337%0.365SS*.EExtended strand (participates in β ladder)trans-75.9129.7173.9-65.4-178.4-179.6-174.60.1109.4V104V104-R110 HydrophobicContact CG2-CG 4.27Å
111G83.5Confident86Confident12 Ų1270.9 Ų70.912%0.12435%0.354CS..EExtended strand (participates in β ladder)trans-146.8175.2-17800000112.7G103G103-G111 PolarHBondContact N-O 3.18Å; G103-G111 PolarHBondContact O-N 3.31Å; G103-G111 VanDerWaalsContact O-O 3.07Å
112Q86.1Confident86Confident90 Ų9067.3 Ų67.342%0.42134%0.344SS..EExtended strand (participates in β ladder)trans-109123.8173.5-67.9178.2-6.900108.7V100V100-Q112 HydrophobicContact CG2-CB 3.87Å; V100-Q112 HydrophobicContact CG2-CG 4.19Å
113Y87.9Confident86.1Confident63 Ų6361.8 Ų61.825%0.24732%0.324CS..EExtended strand (participates in β ladder)trans-91.6117.3171.3-65-82.5000108.7V100 K101 V104 S105 Q482V100-Y113 CarbonylContact C-O 3.55Å; V100-Y113 WeakPolarHBondContact CA-O 3.39Å; K101-Y113 PolarHBondContact N-O 2.98Å; K101-Y113 WeakPolarHBondContact O-CB 3.45Å; K101-Y113 PolarHBondContact O-N 3.14Å; V104-Y113 PolarHBondContact O-OH 3.25Å; S105-Y113 VanDerWaalsContact CA-OH 3.25Å; S105-Y113 WeakPolarHBondContact CA-OH 3.45Å; S105-Y113 PolarHBondContact N-OH 3.13Å; Y113-Q482 HydrophobicContact CE1-CB 4.39Å
114W90.1Very high86.5Confident70 Ų7062.3 Ų62.327%0.26532%0.319SS..EExtended strand (participates in β ladder)trans-102.2128.3178.1-73.490.6000110P98 E99 V100 L116 M148 F155 M158P98-W114 HydrophobicContact CB-CZ3 4.49Å; E99-W114 WeakPolarHBondContact O-CA 3.33Å; V100-W114 HydrophobicContact CB-CD2 4.04Å; V100-W114 HydrophobicContact CB-CE3 3.93Å; V100-W114 HydrophobicContact CB-CH2 4.06Å; V100-W114 HydrophobicContact CB-CZ2 4.14Å; V100-W114 HydrophobicContact CB-CZ3 3.94Å; V100-W114 HydrophobicContact CG1-CH2 4.43Å; V100-W114 HydrophobicContact CG2-CD2 4.03Å; V100-W114 HydrophobicContact CG2-CE3 4.42Å; V100-W114 HydrophobicContact CG2-CH2 4.4Å; V100-W114 HydrophobicContact CG2-CZ2 3.98Å; W114-L116 HydrophobicContact CB-CD2 4.49Å; W114-M148 HydrophobicContact CH2-CE 4.32Å; W114-M148 HydrophobicContact CH2-SD 3.76Å; W114-M148 HydrophobicContact CZ3-CE 3.91Å; W114-M148 HydrophobicContact CZ3-SD 3.97Å; W114-F155 HydrophobicContact CD2-CD2 4.41Å; W114-F155 AromaticContact CD2-CE2 3.62Å; W114-F155 HydrophobicContact CD2-CE2 3.62Å; W114-F155 AromaticContact CE2-CE2 3.92Å; W114-F155 AromaticContact CE3-CE2 3.69Å; W114-F155 HydrophobicContact CE3-CE2 3.69Å; W114-F155 HydrophobicContact CE3-CZ 4.21Å; W114-F155 HydrophobicContact CG-CE2 4.08Å; W114-F155 HydrophobicContact CH2-CE2 4.28Å; W114-F155 HydrophobicContact CZ2-CE2 4.25Å; W114-F155 HydrophobicContact CZ3-CE2 4.02Å; W114-F155 HydrophobicContact CZ3-CZ 4.37Å; W114-M158 HydrophobicContact CB-CE 4.45Å; W114-M158 HydrophobicContact CB-SD 3.74Å; W114-M158 HydrophobicContact CG-CE 4.31Å; W114-M158 HydrophobicContact CG-SD 4.19Å
115T92.8Very high86.9Confident39 Ų3962.9 Ų62.924%0.23932%0.322CS..EExtended strand (participates in β ladder)trans-104.5120.3168-58.10000107.4P98 E99 P117 P487P98-T115 WeakPolarHBondContact CA-O 3.49Å; E99-T115 PolarHBondContact N-O 3.45Å; E99-T115 PolarHBondContact O-N 3.33Å; T115-P117 WeakPolarHBondContact O-CD 3.46Å; T115-P487 HydrophobicContact CG2-CG 3.69Å
116L94.8Very high87.6Confident14 Ų1465.6 Ų65.67%0.07333%0.334CS..  trans-113.394.8-178.1-56.9-178.3000109.4P98 W114 Y118 F141 T145 F155 M158 V159 T162P98-L116 HydrophobicContact CB-CD2 3.73Å; W114-L116 HydrophobicContact CB-CD2 4.49Å; L116-Y118 WeakPolarHBondContact O-CD1 3.26Å; L116-F141 HydrophobicContact CB-CE1 4.43Å; L116-T145 HydrophobicContact CD2-CG2 4.04Å; L116-F155 HydrophobicContact CD2-CE2 4.24Å; L116-F155 HydrophobicContact CD2-CZ 3.72Å; L116-M158 HydrophobicContact CD1-CG 4.29Å; L116-M158 HydrophobicContact CD1-SD 4.17Å; L116-V159 HydrophobicContact CD1-CG2 4Å; L116-T162 HydrophobicContact CB-CG2 4.38Å
117P94.4Very high88.2Confident19 Ų1966.3 Ų66.312%0.12333%0.331CS..  trans-62.7136.6172.3-21.533.9000110.9I95 Q96 T115I95-P117 HydrophobicContact CG2-CB 4.33Å; Q96-P117 HydrophobicContact CB-CB 3.84Å; Q96-P117 HydrophobicContact CB-CG 3.84Å; Q96-P117 HydrophobicContact CG-CG 3.97Å; T115-P117 WeakPolarHBondContact O-CD 3.46Å
118Y94.4Very high88.3Confident56 Ų5661.3 Ų61.322%0.2231%0.305CS..EExtended strand (participates in β ladder)trans-144.5157.6176.663.2-92.7000111.1L116 L120 V139 I140 F141 T162 G166L116-Y118 WeakPolarHBondContact O-CD1 3.26Å; Y118-L120 HydrophobicContact CD2-CD1 4.42Å; Y118-L120 HydrophobicContact CD2-CD2 3.79Å; Y118-L120 HydrophobicContact CD2-CG 3.77Å; Y118-L120 HydrophobicContact CE2-CD1 3.78Å; Y118-L120 HydrophobicContact CE2-CD2 3.85Å; Y118-L120 HydrophobicContact CE2-CG 3.63Å; Y118-V139 HydrophobicContact CD2-CG1 4.13Å; Y118-V139 HydrophobicContact CG-CG1 4.28Å; Y118-I140 CarbonylContact C-O 3.59Å; Y118-I140 VanDerWaalsContact CA-O 3.26Å; Y118-I140 WeakPolarHBondContact CA-O 3.07Å; Y118-F141 HydrophobicContact CD1-CE1 4.2Å; Y118-F141 HydrophobicContact CG-CE1 4.19Å; Y118-T162 HydrophobicContact CD1-CG2 3.85Å; Y118-T162 HydrophobicContact CE1-CG2 3.8Å; Y118-G166 WeakPolarHBondContact OH-CA 3.47Å
119S93.1Very high88.2Confident18 Ų1864.6 Ų64.613%0.12632%0.316CS..EExtended strand (participates in β ladder)trans-115.8143.2169.5-177.20000109.8I140S119-I140 PolarHBondContact N-O 3.41Å; S119-I140 PolarHBondContact O-N 3.47Å
120L92.8Very high88.1Confident25 Ų2563.9 Ų63.913%0.13132%0.316CS..EExtended strand (participates in β ladder)trans-112.2127.4179.5-63.4176.5000110.2Y118 V139 G166 V167 A170 Y171Y118-L120 HydrophobicContact CD2-CD1 4.42Å; Y118-L120 HydrophobicContact CD2-CD2 3.79Å; Y118-L120 HydrophobicContact CD2-CG 3.77Å; Y118-L120 HydrophobicContact CE2-CD1 3.78Å; Y118-L120 HydrophobicContact CE2-CD2 3.85Å; Y118-L120 HydrophobicContact CE2-CG 3.63Å; L120-V139 HydrophobicContact CD2-CB 4.1Å; L120-V139 HydrophobicContact CD2-CG1 3.84Å; L120-V139 HydrophobicContact CD2-CG2 3.55Å; L120-G166 WeakPolarHBondContact CD1-O 3.32Å; L120-V167 HydrophobicContact CD2-CG2 4.11Å; L120-A170 HydrophobicContact CD1-CB 3.39Å; L120-Y171 HydrophobicContact CD1-CE2 4.47Å
121Y89.8Confident87.8Confident51 Ų5155.7 Ų55.720%0.230%0.302CS..EExtended strand (participates in β ladder)trans-87142.1168.8-167.4-102.8000110.9G123 R124 D138 Y171 Q192 C194Y121-G123 PolarHBondContact O-N 2.91Å; Y121-R124 VanDerWaalsContact CD1-NH1 3.26Å; Y121-R124 HydrophobicContact CE1-CG 4.23Å; Y121-D138 PolarHBondContact N-O 3.09Å; Y121-Y171 PolarHBondContact O-OH 2.84Å; Y121-Q192 PolarHBondContact OH-OE1 3.4Å; Y121-Q192 VanDerWaalsContact OH-OE1 3.09Å; Y121-C194 HydrophobicContact CD2-CB 3.93Å; Y121-C194 WeakPolarHBondContact CD2-SG 3.38Å; Y121-C194 HydrophobicContact CE2-CB 4.25Å
122P89.4Confident87.8Confident53 Ų5357.6 Ų57.634%0.34431%0.314SS..EExtended strand (participates in β ladder)trans-46.4137.9175.6-30.336.8000113.8R124 Y171P122-R124 PolarHBondContact O-N 3.42Å; P122-Y171 WeakPolarHBondContact CA-OH 3.32Å
123G89.8Confident88Confident32 Ų3256.5 Ų56.533%0.3331%0.313SS..EExtended strand (participates in β ladder)trans-61.8130.4179.200000112.3Y121 I136Y121-G123 PolarHBondContact O-N 2.91Å; G123-I136 CarbonylContact C-O 3.11Å; G123-I136 WeakPolarHBondContact CA-O 3.3Å
124R90.9Very high88.1Confident32 Ų3253.7 Ų53.712%0.12130%0.302CS..EExtended strand (participates in β ladder)trans-108.6133179.2-61.4-169.7-64.3-99.9-13.8111.1Y121 P122 M135 I136 D138 Y187 Q192Y121-R124 VanDerWaalsContact CD1-NH1 3.26Å; Y121-R124 HydrophobicContact CE1-CG 4.23Å; P122-R124 PolarHBondContact O-N 3.42Å; R124-M135 VanDerWaalsContact C-SD 3.58Å; R124-M135 CarbonylContact O-C 3.51Å; R124-M135 WeakPolarHBondContact O-CA 3.28Å; R124-M135 VanDerWaalsContact O-SD 3.41Å; R124-I136 HydrophobicContact CB-CB 4.48Å; R124-I136 PolarHBondContact N-O 3.33Å; R124-I136 PolarHBondContact O-N 3.4Å; R124-D138 IonicContact CZ-OD2 3.53Å; R124-D138 VanDerWaalsContact CZ-OD2 3.28Å; R124-D138 IonicContact NH1-OD2 2.69Å; R124-D138 PolarHBondContact NH1-OD2 2.85Å; R124-D138 IonicContact NH2-OD1 3.23Å; R124-D138 PolarHBondContact NH2-OD1 3.3Å; R124-D138 IonicContact NH2-OD2 3.52Å; R124-D138 PolarHBondContact NH2-OD2 2.82Å; R124-Y187 PolarHBondContact NH2-OH 3.35Å; R124-Q192 VanDerWaalsContact CD-OE1 3.23Å
125T90.9Very high88.2Confident94 Ų9452 Ų5258%0.57730%0.297SS*.EExtended strand (participates in β ladder)trans-94.2122.9171.6-56.70000109.8F134 M135T125-F134 WeakPolarHBondContact CA-O 3.22Å; T125-M135 WeakPolarHBondContact OG1-CE 3.43Å; T125-M135 PolarHBondContact OG1-SD 2.66Å
126E88.1Confident88.3Confident63 Ų6350.1 Ų50.129%0.29429%0.286SS..EExtended strand (participates in β ladder)trans-121.6161.3173.8-77.3-174.4-160.300110.6T133 F134 I136E126-T133 WeakPolarHBondContact O-CA 3.37Å; E126-F134 HydrophobicContact CB-CD2 4.35Å; E126-F134 HydrophobicContact CB-CE1 3.93Å; E126-F134 HydrophobicContact CB-CE2 3.64Å; E126-F134 HydrophobicContact CB-CZ 3.36Å; E126-F134 HydrophobicContact CG-CZ 4.48Å; E126-F134 PolarHBondContact N-O 3.29Å; E126-F134 PolarHBondContact O-N 3.34Å; E126-I136 HydrophobicContact CB-CD1 4.27Å; E126-I136 HydrophobicContact CG-CD1 3.9Å; E126-I136 VanDerWaalsContact OE1-CD1 3.28Å; E126-I136 WeakPolarHBondContact OE1-CD1 3.43Å; E126-I136 WeakPolarHBondContact OE2-CD1 3.15Å
127K86.1Confident88.3Confident146 Ų14650 Ų5064%0.63529%0.285SS*.EExtended strand (participates in β ladder)trans-111.7131.5175.6-71-179.4-178.4178.20109.3S132 T133K127-S132 WeakPolarHBondContact CA-O 3.31Å; K127-T133 HydrophobicContact CG-CG2 3.89Å
128D80.3Confident88.4Confident10 Ų1049.2 Ų49.25%0.05328%0.279CS..  trans-70.4160.2172.4-77.4-41.3000109.3K84 K130 G131 S132 F134 K188K84-D128 IonicContact NZ-OD2 2.59Å; D128-K130 PolarHBondContact O-N 2.96Å; D128-G131 WeakPolarHBondContact O-CA 3.39Å; D128-G131 PolarHBondContact O-N 3.22Å; D128-S132 PolarHBondContact N-O 3.5Å; D128-F134 HydrophobicContact CB-CD1 4.3Å; D128-F134 HydrophobicContact CB-CE1 4.11Å; D128-F134 WeakPolarHBondContact OD1-CD1 3.5Å; D128-F134 WeakPolarHBondContact OD1-CE1 3.46Å; D128-F134 WeakPolarHBondContact OD2-CD1 3.39Å; D128-K188 IonicContact OD1-NZ 3.35Å; D128-K188 PolarHBondContact OD1-NZ 3.35Å
129P76Confident88.4Confident125 Ų12546.5 Ų46.581%0.81227%0.269SS*.THydrogen-bonded Turntrans-55.1-27174-25.234.6000113.4G131P129-G131 VanDerWaalsContact C-N 3.25Å; P129-G131 PolarHBondContact O-N 3.04Å
130K75.9Confident88.5Confident103 Ų10345.7 Ų45.745%0.44826%0.263SS..THydrogen-bonded Turntrans-790.2175.4-59.5-174.1176.9-165.90113.8D128 S132 E452 N453D128-K130 PolarHBondContact O-N 2.96Å; K130-S132 PolarHBondContact O-N 3.16Å; K130-E452 VanDerWaalsContact CE-OE2 3.26Å; K130-E452 WeakPolarHBondContact CE-OE2 3.35Å; K130-E452 PolarHBondContact NZ-O 3.26Å; K130-N453 PolarHBondContact NZ-OD1 2.69Å
131G77.3Confident88.7Confident54 Ų5444.5 Ų44.556%0.55726%0.257SS*.SBendtrans84.1-1.8178.100000115.9D128 P129D128-G131 WeakPolarHBondContact O-CA 3.39Å; D128-G131 PolarHBondContact O-N 3.22Å; P129-G131 VanDerWaalsContact C-N 3.25Å; P129-G131 PolarHBondContact O-N 3.04Å
132S83.3Confident89Confident53 Ų5342.9 Ų42.937%0.37125%0.251SS..  trans-72.1134.1174.3-175.30000110.8K127 D128 K130K127-S132 WeakPolarHBondContact CA-O 3.31Å; D128-S132 PolarHBondContact N-O 3.5Å; K130-S132 PolarHBondContact O-N 3.16Å
133T89.2Confident89.4Confident67 Ų6742.1 Ų42.141%0.41125%0.246SC..EExtended strand (participates in β ladder)trans-82.4142.8172.950.70000111E126 K127E126-T133 WeakPolarHBondContact O-CA 3.37Å; K127-T133 HydrophobicContact CG-CG2 3.89Å
134F91.5Very high89.6Confident3 Ų342.7 Ų42.71%0.01324%0.242CC..EExtended strand (participates in β ladder)trans-144.1156.8174.263.6-91.4000110.8K84 F86 T125 E126 D128 I136 K188K84-F134 HydrophobicContact CB-CB 3.89Å; K84-F134 VanDerWaalsContact O-CA 3.26Å; K84-F134 WeakPolarHBondContact O-CA 3.36Å; K84-F134 VanDerWaalsContact O-CB 3.29Å; K84-F134 WeakPolarHBondContact O-CB 3.39Å; F86-F134 HydrophobicContact CD2-CB 4.16Å; F86-F134 AromaticContact CD2-CD2 3.46Å; F86-F134 HydrophobicContact CD2-CD2 3.46Å; F86-F134 VanDerWaalsContact CD2-CD2 3.46Å; F86-F134 HydrophobicContact CD2-CE2 4.11Å; F86-F134 HydrophobicContact CD2-CG 4.03Å; F86-F134 HydrophobicContact CE2-CB 3.91Å; F86-F134 AromaticContact CE2-CD2 3.65Å; F86-F134 HydrophobicContact CE2-CD2 3.65Å; F86-F134 HydrophobicContact CE2-CE2 4.28Å; F86-F134 AromaticContact CE2-CG 3.79Å; F86-F134 HydrophobicContact CE2-CG 3.79Å; T125-F134 WeakPolarHBondContact CA-O 3.22Å; E126-F134 HydrophobicContact CB-CD2 4.35Å; E126-F134 HydrophobicContact CB-CE1 3.93Å; E126-F134 HydrophobicContact CB-CE2 3.64Å; E126-F134 HydrophobicContact CB-CZ 3.36Å; E126-F134 HydrophobicContact CG-CZ 4.48Å; E126-F134 PolarHBondContact N-O 3.29Å; E126-F134 PolarHBondContact O-N 3.34Å; D128-F134 HydrophobicContact CB-CD1 4.3Å; D128-F134 HydrophobicContact CB-CE1 4.11Å; D128-F134 WeakPolarHBondContact OD1-CD1 3.5Å; D128-F134 WeakPolarHBondContact OD1-CE1 3.46Å; D128-F134 WeakPolarHBondContact OD2-CD1 3.39Å; F134-I136 HydrophobicContact CD2-CG1 3.91Å; F134-I136 HydrophobicContact CE2-CD1 3.73Å; F134-I136 HydrophobicContact CE2-CG1 3.6Å; F134-K188 HydrophobicContact CE2-CD 4.27Å; F134-K188 HydrophobicContact CE2-CG 4.04Å; F134-K188 HydrophobicContact CZ-CD 4.48Å
135M92.4Very high89.8Confident34 Ų3441.2 Ų41.217%0.16724%0.236CC..EExtended strand (participates in β ladder)trans-104.4137.1179.9-164.171.871.600110.4K84 C85 F86 R124 T125 Y137K84-M135 PolarHBondContact O-N 3.21Å; C85-M135 CarbonylContact C-O 3.5Å; C85-M135 WeakPolarHBondContact CA-O 3.27Å; F86-M135 PolarHBondContact N-O 2.96Å; R124-M135 VanDerWaalsContact C-SD 3.58Å; R124-M135 CarbonylContact O-C 3.51Å; R124-M135 WeakPolarHBondContact O-CA 3.28Å; R124-M135 VanDerWaalsContact O-SD 3.41Å; T125-M135 WeakPolarHBondContact OG1-CE 3.43Å; T125-M135 PolarHBondContact OG1-SD 2.66Å; M135-Y137 HydrophobicContact CB-CE2 4.14Å; M135-Y137 HydrophobicContact CG-CD2 4.27Å; M135-Y137 HydrophobicContact CG-CE1 4.09Å; M135-Y137 HydrophobicContact CG-CE2 3.53Å; M135-Y137 VanDerWaalsContact CG-CZ 3.44Å; M135-Y137 WeakPolarHBondContact CG-OH 3.42Å
136I94.3Very high90Very high0 Ų037 Ų370%021%0.21CC..EExtended strand (participates in β ladder)trans-113.8132.9173.9-55.9166.8000108.8F86 N88 G123 R124 E126 F134 K188F86-I136 CarbonylContact O-C 3.56Å; F86-I136 VanDerWaalsContact O-CA 3.31Å; F86-I136 WeakPolarHBondContact O-CA 3.37Å; N88-I136 WeakPolarHBondContact ND2-CG2 3.41Å; G123-I136 CarbonylContact C-O 3.11Å; G123-I136 WeakPolarHBondContact CA-O 3.3Å; R124-I136 HydrophobicContact CB-CB 4.48Å; R124-I136 PolarHBondContact N-O 3.33Å; R124-I136 PolarHBondContact O-N 3.4Å; E126-I136 HydrophobicContact CB-CD1 4.27Å; E126-I136 HydrophobicContact CG-CD1 3.9Å; E126-I136 VanDerWaalsContact OE1-CD1 3.28Å; E126-I136 WeakPolarHBondContact OE1-CD1 3.43Å; E126-I136 WeakPolarHBondContact OE2-CD1 3.15Å; F134-I136 HydrophobicContact CD2-CG1 3.91Å; F134-I136 HydrophobicContact CE2-CD1 3.73Å; F134-I136 HydrophobicContact CE2-CG1 3.6Å; I136-K188 HydrophobicContact CD1-CG 4.17Å; I136-K188 HydrophobicContact CG1-CG 4.2Å
137Y94.8Very high90.3Very high13 Ų1341 Ų415%0.05122%0.223CC..EExtended strand (participates in β ladder)trans-121.1135.5169.8-60-77.8000109.3F86 I87 N88 M135 V167 Y171F86-Y137 PolarHBondContact O-N 3Å; I87-Y137 CarbonylContact C-O 3.5Å; I87-Y137 VanDerWaalsContact CA-O 3.3Å; I87-Y137 WeakPolarHBondContact CA-O 3.36Å; I87-Y137 HydrophobicContact CG1-CD2 4.32Å; N88-Y137 PolarHBondContact N-O 2.99Å; M135-Y137 HydrophobicContact CB-CE2 4.14Å; M135-Y137 HydrophobicContact CG-CD2 4.27Å; M135-Y137 HydrophobicContact CG-CE1 4.09Å; M135-Y137 HydrophobicContact CG-CE2 3.53Å; M135-Y137 VanDerWaalsContact CG-CZ 3.44Å; M135-Y137 WeakPolarHBondContact CG-OH 3.42Å; Y137-V167 HydrophobicContact CD1-CG1 3.79Å; Y137-V167 HydrophobicContact CD2-CG1 3.67Å; Y137-V167 HydrophobicContact CE1-CG1 3.89Å; Y137-V167 HydrophobicContact CE2-CG1 3.76Å; Y137-V167 HydrophobicContact CG-CG1 3.66Å; Y137-V167 HydrophobicContact CG-CG2 4.12Å; Y137-Y171 AromaticContact CD1-CD2 3.82Å; Y137-Y171 HydrophobicContact CD1-CD2 3.82Å; Y137-Y171 AromaticContact CD1-CE2 3.67Å; Y137-Y171 HydrophobicContact CD1-CE2 3.67Å; Y137-Y171 AromaticContact CE1-CD2 3.56Å; Y137-Y171 HydrophobicContact CE1-CD2 3.56Å; Y137-Y171 AromaticContact CE1-CE2 3.86Å; Y137-Y171 HydrophobicContact CE1-CE2 3.86Å; Y137-Y171 AromaticContact CE1-CG 3.99Å; Y137-Y171 HydrophobicContact CE1-CG 3.99Å
138D95.4Very high90.6Very high1 Ų136.7 Ų36.71%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-104.8124.3172.4-53.3-35.8000109.4N88 Y121 R124 Y187N88-D138 VanDerWaalsContact CB-OD1 3.32Å; N88-D138 WeakPolarHBondContact CB-OD1 3.18Å; N88-D138 PolarHBondContact ND2-OD1 3.07Å; Y121-D138 PolarHBondContact N-O 3.09Å; R124-D138 IonicContact CZ-OD2 3.53Å; R124-D138 VanDerWaalsContact CZ-OD2 3.28Å; R124-D138 IonicContact NH1-OD2 2.69Å; R124-D138 PolarHBondContact NH1-OD2 2.85Å; R124-D138 IonicContact NH2-OD1 3.23Å; R124-D138 PolarHBondContact NH2-OD1 3.3Å; R124-D138 IonicContact NH2-OD2 3.52Å; R124-D138 PolarHBondContact NH2-OD2 2.82Å; D138-Y187 PolarHBondContact OD1-OH 2.74Å; D138-Y187 PolarHBondContact OD2-OH 2.74Å
139V95.7Very high91.3Very high0 Ų036.4 Ų36.40%021%0.205CC..EExtended strand (participates in β ladder)trans-116.1118176.6-171.70000107.9I87 N88 C90 Y118 L120 F141 A163 V167I87-V139 HydrophobicContact CG2-CB 4.41Å; I87-V139 HydrophobicContact CG2-CG2 3.47Å; I87-V139 VanDerWaalsContact CG2-CG2 3.47Å; N88-V139 PolarHBondContact O-N 2.77Å; C90-V139 PolarHBondContact N-O 2.77Å; Y118-V139 HydrophobicContact CD2-CG1 4.13Å; Y118-V139 HydrophobicContact CG-CG1 4.28Å; L120-V139 HydrophobicContact CD2-CB 4.1Å; L120-V139 HydrophobicContact CD2-CG1 3.84Å; L120-V139 HydrophobicContact CD2-CG2 3.55Å; V139-F141 HydrophobicContact CB-CE2 4.16Å; V139-F141 HydrophobicContact CG1-CD2 4.18Å; V139-F141 HydrophobicContact CG1-CE2 3.43Å; V139-F141 VanDerWaalsContact CG1-CE2 3.43Å; V139-F141 HydrophobicContact CG1-CZ 3.63Å; V139-A163 HydrophobicContact CB-CB 4.25Å; V139-A163 HydrophobicContact CG1-CB 4.07Å; V139-A163 HydrophobicContact CG2-CB 4.11Å; V139-V167 HydrophobicContact CG2-CG2 3.89Å
140I95.6Very high92.1Very high1 Ų133.8 Ų33.81%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-110.1119.2-171.2-48.4175.7000108.6I67 P69 C90 N92 I95 Y118 S119I67-I140 HydrophobicContact CG2-CD1 3.61Å; I67-I140 HydrophobicContact CG2-CG2 4.15Å; P69-I140 HydrophobicContact CB-CD1 3.98Å; P69-I140 HydrophobicContact CB-CG1 4.26Å; C90-I140 HydrophobicContact CB-CG1 4.22Å; C90-I140 WeakPolarHBondContact O-CA 3.35Å; N92-I140 HydrophobicContact CB-CG2 3.59Å; I95-I140 HydrophobicContact CG1-CG2 4.03Å; Y118-I140 CarbonylContact C-O 3.59Å; Y118-I140 VanDerWaalsContact CA-O 3.26Å; Y118-I140 WeakPolarHBondContact CA-O 3.07Å; S119-I140 PolarHBondContact N-O 3.41Å; S119-I140 PolarHBondContact O-N 3.47Å
141F96.6Very high93Very high0 Ų037.1 Ų37.10%020%0.204CC..EExtended strand (participates in β ladder)trans-108.2167.9175.9-64.6-85.6000110.8I89 C90 A91 N92 L116 Y118 V139 T145 L146 V159 T162 A163I89-F141 HydrophobicContact CG2-CD2 3.92Å; I89-F141 HydrophobicContact CG2-CE2 4.06Å; C90-F141 PolarHBondContact O-N 2.85Å; A91-F141 CarbonylContact C-O 3.46Å; A91-F141 VanDerWaalsContact CA-O 3.25Å; A91-F141 WeakPolarHBondContact CA-O 3.28Å; N92-F141 PolarHBondContact N-O 3.18Å; L116-F141 HydrophobicContact CB-CE1 4.43Å; Y118-F141 HydrophobicContact CD1-CE1 4.2Å; Y118-F141 HydrophobicContact CG-CE1 4.19Å; V139-F141 HydrophobicContact CB-CE2 4.16Å; V139-F141 HydrophobicContact CG1-CD2 4.18Å; V139-F141 HydrophobicContact CG1-CE2 3.43Å; V139-F141 VanDerWaalsContact CG1-CE2 3.43Å; V139-F141 HydrophobicContact CG1-CZ 3.63Å; F141-T145 HydrophobicContact CB-CG2 4.31Å; F141-T145 HydrophobicContact CD1-CG2 4.2Å; F141-T145 HydrophobicContact CG-CG2 4.39Å; F141-L146 HydrophobicContact CB-CD2 4.16Å; F141-L146 HydrophobicContact CB-CG 4.48Å; F141-L146 HydrophobicContact CD2-CD2 4.26Å; F141-L146 HydrophobicContact CG-CD2 4.48Å; F141-V159 HydrophobicContact CD2-CG1 4.16Å; F141-V159 HydrophobicContact CE1-CG1 4.45Å; F141-V159 HydrophobicContact CE2-CG1 3.75Å; F141-V159 HydrophobicContact CZ-CG1 3.92Å; F141-T162 HydrophobicContact CE1-CG2 4.3Å; F141-A163 HydrophobicContact CE2-CB 4.26Å; F141-A163 HydrophobicContact CZ-CB 4.16Å
142H96.6Very high93.8Very high16 Ų1637.9 Ų37.97%0.07420%0.195CC..  trans-67.9142.5166.1-171.8-96.6000110.7I95 N97 D144 T145I95-H142 HydrophobicContact CB-CB 4.4Å; I95-H142 HydrophobicContact CG2-CB 4.49Å; I95-H142 PolarHBondContact O-CD2 3.06Å; N97-H142 PolarHBondContact OD1-NE2 3.26Å; H142-D144 IonicContact CE1-OD2 3.23Å; H142-D144 PolarHBondContact CE1-OD2 3.38Å; H142-D144 VanDerWaalsContact CE1-OD2 3.23Å; H142-D144 WeakPolarHBondContact ND1-CB 3.4Å; H142-D144 PolarHBondContact ND1-N 3Å; H142-D144 VanDerWaalsContact ND1-N 3.18Å; H142-D144 IonicContact ND1-OD2 2.68Å; H142-D144 PolarHBondContact O-N 2.9Å; H142-D144 VanDerWaalsContact O-N 3.16Å; H142-T145 VanDerWaalsContact O-CB 3.26Å; H142-T145 WeakPolarHBondContact O-CB 3.5Å; H142-T145 PolarHBondContact O-N 2.93Å
143P96.1Very high94.2Very high38 Ų3842.8 Ų42.825%0.24721%0.209CC..Hα-helixtrans-58.8-27.3-179.312.5-24.5000114.6A91 N92 D93 T145 L146 R147A91-P143 HydrophobicContact CB-CB 4.13Å; N92-P143 WeakPolarHBondContact O-CD 3.36Å; D93-P143 WeakPolarHBondContact OD1-CG 3.34Å; P143-T145 VanDerWaalsContact C-N 3.29Å; P143-T145 PolarHBondContact O-N 3.29Å; P143-L146 PolarHBondContact O-N 3.36Å; P143-R147 WeakPolarHBondContact O-CB 3.3Å; P143-R147 PolarHBondContact O-N 3.18Å
144D94.9Very high94.4Very high44 Ų4442.7 Ų42.724%0.23521%0.21CC..Hα-helixtrans-61.7-38173.4-76.1-33.1000112.8P98 H142 L146 R147 M148P98-D144 HydrophobicContact CG-CB 4.4Å; H142-D144 IonicContact CE1-OD2 3.23Å; H142-D144 PolarHBondContact CE1-OD2 3.38Å; H142-D144 VanDerWaalsContact CE1-OD2 3.23Å; H142-D144 WeakPolarHBondContact ND1-CB 3.4Å; H142-D144 PolarHBondContact ND1-N 3Å; H142-D144 VanDerWaalsContact ND1-N 3.18Å; H142-D144 IonicContact ND1-OD2 2.68Å; H142-D144 PolarHBondContact O-N 2.9Å; H142-D144 VanDerWaalsContact O-N 3.16Å; D144-L146 VanDerWaalsContact C-N 3.31Å; D144-L146 PolarHBondContact O-N 3.22Å; D144-R147 PolarHBondContact O-N 2.96Å; D144-R147 IonicContact OD1-CZ 2.81Å; D144-R147 VanDerWaalsContact OD1-CZ 3.23Å; D144-R147 IonicContact OD1-NE 3.25Å; D144-R147 PolarHBondContact OD1-NE 3.21Å; D144-R147 IonicContact OD1-NH2 2.9Å; D144-R147 PolarHBondContact OD1-NH2 3.27Å; D144-M148 WeakPolarHBondContact O-CE 3.2Å; D144-M148 WeakPolarHBondContact O-CG 3.32Å; D144-M148 PolarHBondContact O-N 3.14Å
145T95Very high94.5Very high0 Ų042.9 Ų42.90%021%0.211CC..Hα-helixtrans-58.8-46.7174.1-55.60000110.1P98 L116 F141 H142 P143 M148 A149 F155 V159P98-T145 WeakPolarHBondContact CD-OG1 3.33Å; P98-T145 WeakPolarHBondContact CG-OG1 3.38Å; L116-T145 HydrophobicContact CD2-CG2 4.04Å; F141-T145 HydrophobicContact CB-CG2 4.31Å; F141-T145 HydrophobicContact CD1-CG2 4.2Å; F141-T145 HydrophobicContact CG-CG2 4.39Å; H142-T145 VanDerWaalsContact O-CB 3.26Å; H142-T145 WeakPolarHBondContact O-CB 3.5Å; H142-T145 PolarHBondContact O-N 2.93Å; P143-T145 VanDerWaalsContact C-N 3.29Å; P143-T145 PolarHBondContact O-N 3.29Å; T145-M148 PolarHBondContact O-N 3.25Å; T145-A149 VanDerWaalsContact O-CB 3.32Å; T145-A149 WeakPolarHBondContact O-CB 3.36Å; T145-A149 PolarHBondContact O-N 2.85Å; T145-F155 HydrophobicContact CG2-CE1 3.9Å; T145-F155 HydrophobicContact CG2-CZ 4.23Å; T145-F155 WeakPolarHBondContact O-CE1 3.44Å; T145-V159 HydrophobicContact CG2-CG2 3.67Å
146L94.6Very high94.6Very high7 Ų741.7 Ų41.74%0.03721%0.205CC..Hα-helixtrans-71.6-34.1-179.2-54.2-168.7000112.4F72 I89 A91 F141 P143 D144 A149 S150 V159F72-L146 HydrophobicContact CB-CD1 3.56Å; F72-L146 HydrophobicContact CD1-CB 4.4Å; F72-L146 HydrophobicContact CD1-CD1 4.01Å; F72-L146 HydrophobicContact CD1-CD2 4.08Å; F72-L146 HydrophobicContact CD1-CG 4.4Å; F72-L146 HydrophobicContact CD2-CB 4.2Å; F72-L146 HydrophobicContact CD2-CD1 4.15Å; F72-L146 HydrophobicContact CE1-CB 4.36Å; F72-L146 HydrophobicContact CE1-CD2 4.31Å; F72-L146 HydrophobicContact CE2-CB 4.17Å; F72-L146 HydrophobicContact CG-CB 4.32Å; F72-L146 HydrophobicContact CG-CD1 3.67Å; F72-L146 HydrophobicContact CG-CG 4.42Å; F72-L146 HydrophobicContact CZ-CB 4.25Å; I89-L146 HydrophobicContact CG2-CD2 3.72Å; A91-L146 HydrophobicContact CB-CD1 3.42Å; A91-L146 VanDerWaalsContact CB-CD1 3.42Å; A91-L146 HydrophobicContact CB-CG 4.32Å; F141-L146 HydrophobicContact CB-CD2 4.16Å; F141-L146 HydrophobicContact CB-CG 4.48Å; F141-L146 HydrophobicContact CD2-CD2 4.26Å; F141-L146 HydrophobicContact CG-CD2 4.48Å; P143-L146 PolarHBondContact O-N 3.36Å; D144-L146 VanDerWaalsContact C-N 3.31Å; D144-L146 PolarHBondContact O-N 3.22Å; L146-A149 PolarHBondContact O-N 3.21Å; L146-S150 WeakPolarHBondContact O-CB 3.3Å; L146-S150 PolarHBondContact O-N 3.05Å; L146-V159 HydrophobicContact CD2-CG1 4.45Å
147R94.5Very high94.5Very high147 Ų14744.7 Ų44.756%0.55522%0.221SC*.Hα-helixtrans-61.3-44.1172.4-177.517463.6149.2-1.2111P143 D144 S150P143-R147 WeakPolarHBondContact O-CB 3.3Å; P143-R147 PolarHBondContact O-N 3.18Å; D144-R147 PolarHBondContact O-N 2.96Å; D144-R147 IonicContact OD1-CZ 2.81Å; D144-R147 VanDerWaalsContact OD1-CZ 3.23Å; D144-R147 IonicContact OD1-NE 3.25Å; D144-R147 PolarHBondContact OD1-NE 3.21Å; D144-R147 IonicContact OD1-NH2 2.9Å; D144-R147 PolarHBondContact OD1-NH2 3.27Å; R147-S150 PolarHBondContact O-N 3.01Å; R147-S150 PolarHBondContact O-OG 3.39Å
148M93.1Very high94.5Very high54 Ų5445.5 Ų45.527%0.26623%0.226SC..Hα-helixtrans-66.5-43.6174.5-70.5-174.4-71.600111.8P98 W114 D144 T145 S150 K151 N152 F155P98-M148 HydrophobicContact CB-CE 4.05Å; P98-M148 HydrophobicContact CG-CE 3.27Å; W114-M148 HydrophobicContact CH2-CE 4.32Å; W114-M148 HydrophobicContact CH2-SD 3.76Å; W114-M148 HydrophobicContact CZ3-CE 3.91Å; W114-M148 HydrophobicContact CZ3-SD 3.97Å; D144-M148 WeakPolarHBondContact O-CE 3.2Å; D144-M148 WeakPolarHBondContact O-CG 3.32Å; D144-M148 PolarHBondContact O-N 3.14Å; T145-M148 PolarHBondContact O-N 3.25Å; M148-S150 VanDerWaalsContact C-N 3.27Å; M148-S150 PolarHBondContact O-N 3.47Å; M148-K151 PolarHBondContact O-N 3.49Å; M148-K151 VanDerWaalsContact O-N 3.07Å; M148-N152 PolarHBondContact O-N 3.04Å; M148-F155 HydrophobicContact CB-CD1 3.96Å; M148-F155 HydrophobicContact CB-CE1 3.75Å; M148-F155 HydrophobicContact CB-CZ 4.23Å; M148-F155 HydrophobicContact CE-CE1 4.4Å; M148-F155 HydrophobicContact CE-CZ 3.96Å
149A94.3Very high94.5Very high5 Ų545.5 Ų45.54%0.04123%0.225CC..Hα-helixtrans-61.4-33.9177.500000113.1T145 L146 K151 F155 M156 V159T145-A149 VanDerWaalsContact O-CB 3.32Å; T145-A149 WeakPolarHBondContact O-CB 3.36Å; T145-A149 PolarHBondContact O-N 2.85Å; L146-A149 PolarHBondContact O-N 3.21Å; A149-K151 PolarHBondContact O-N 2.9Å; A149-F155 HydrophobicContact CB-CD1 3.89Å; A149-F155 HydrophobicContact CB-CE1 4.35Å; A149-M156 HydrophobicContact CB-CB 4.14Å; A149-M156 HydrophobicContact CB-SD 3.64Å; A149-V159 HydrophobicContact CB-CG2 4.19Å
150S92.9Very high94.5Very high69 Ų6946.9 Ų46.948%0.48323%0.232SC..Hα-helixtrans-64.5-25.2176.375.20000113.7L146 R147 M148L146-S150 WeakPolarHBondContact O-CB 3.3Å; L146-S150 PolarHBondContact O-N 3.05Å; R147-S150 PolarHBondContact O-N 3.01Å; R147-S150 PolarHBondContact O-OG 3.39Å; M148-S150 VanDerWaalsContact C-N 3.27Å; M148-S150 PolarHBondContact O-N 3.47Å
151K94.3Very high94.4Very high174 Ų17450.8 Ų50.876%0.75725%0.252SS*.Hα-helixtrans-100.9-28.2-176.8-63.8179.9-178.8-177.70113M148 A149M148-K151 PolarHBondContact O-N 3.49Å; M148-K151 VanDerWaalsContact O-N 3.07Å; A149-K151 PolarHBondContact O-N 2.9Å
152N94Very high94.4Very high69 Ų6952.4 Ų52.437%0.36926%0.262SS..  trans-122.1110.2-174.4-177.1-24.1000110.2M148 P154 F155 M156M148-N152 PolarHBondContact O-N 3.04Å; N152-P154 WeakPolarHBondContact OD1-CB 3.02Å; N152-P154 WeakPolarHBondContact OD1-CD 3.33Å; N152-F155 HydrophobicContact CB-CB 3.78Å; N152-F155 WeakPolarHBondContact O-CB 3.3Å; N152-F155 PolarHBondContact O-N 3.16Å; N152-F155 PolarHBondContact OD1-N 3.49Å; N152-F155 VanDerWaalsContact OD1-N 3.12Å; N152-M156 PolarHBondContact O-N 3.27Å
153K92.9Very high94.3Very high157 Ų15751.6 Ų51.668%0.68326%0.259SS*.Hα-helixtrans-63.2-49.8-178.8178.7175.2-179.6171.70112.8F155 M156 D157K153-F155 PolarHBondContact O-N 3.13Å; K153-M156 WeakPolarHBondContact O-CA 3.39Å; K153-M156 WeakPolarHBondContact O-CB 3.34Å; K153-M156 PolarHBondContact O-N 3.38Å; K153-D157 PolarHBondContact O-N 3.07Å
154P92.1Very high94.3Very high65 Ų6549.9 Ų49.942%0.42225%0.247SC..Hα-helixtrans-51.2-38.7170.5-28.629.4000114.3N152 D157 M158N152-P154 WeakPolarHBondContact OD1-CB 3.02Å; N152-P154 WeakPolarHBondContact OD1-CD 3.33Å; P154-D157 PolarHBondContact O-N 3.36Å; P154-M158 PolarHBondContact O-N 3.07Å
155F94.2Very high94.2Very high7 Ų750.5 Ų50.53%0.03125%0.25CS..Hα-helixtrans-70.2-37.5176.1-169.1-90.1000112.1W114 L116 T145 M148 A149 N152 K153 D157 M158 V159W114-F155 HydrophobicContact CD2-CD2 4.41Å; W114-F155 AromaticContact CD2-CE2 3.62Å; W114-F155 HydrophobicContact CD2-CE2 3.62Å; W114-F155 AromaticContact CE2-CE2 3.92Å; W114-F155 AromaticContact CE3-CE2 3.69Å; W114-F155 HydrophobicContact CE3-CE2 3.69Å; W114-F155 HydrophobicContact CE3-CZ 4.21Å; W114-F155 HydrophobicContact CG-CE2 4.08Å; W114-F155 HydrophobicContact CH2-CE2 4.28Å; W114-F155 HydrophobicContact CZ2-CE2 4.25Å; W114-F155 HydrophobicContact CZ3-CE2 4.02Å; W114-F155 HydrophobicContact CZ3-CZ 4.37Å; L116-F155 HydrophobicContact CD2-CE2 4.24Å; L116-F155 HydrophobicContact CD2-CZ 3.72Å; T145-F155 HydrophobicContact CG2-CE1 3.9Å; T145-F155 HydrophobicContact CG2-CZ 4.23Å; T145-F155 WeakPolarHBondContact O-CE1 3.44Å; M148-F155 HydrophobicContact CB-CD1 3.96Å; M148-F155 HydrophobicContact CB-CE1 3.75Å; M148-F155 HydrophobicContact CB-CZ 4.23Å; M148-F155 HydrophobicContact CE-CE1 4.4Å; M148-F155 HydrophobicContact CE-CZ 3.96Å; A149-F155 HydrophobicContact CB-CD1 3.89Å; A149-F155 HydrophobicContact CB-CE1 4.35Å; N152-F155 HydrophobicContact CB-CB 3.78Å; N152-F155 WeakPolarHBondContact O-CB 3.3Å; N152-F155 PolarHBondContact O-N 3.16Å; N152-F155 PolarHBondContact OD1-N 3.49Å; N152-F155 VanDerWaalsContact OD1-N 3.12Å; K153-F155 PolarHBondContact O-N 3.13Å; F155-D157 VanDerWaalsContact C-N 3.31Å; F155-D157 PolarHBondContact O-N 3.48Å; F155-M158 HydrophobicContact CD2-CE 3.9Å; F155-M158 HydrophobicContact CD2-SD 4.49Å; F155-M158 HydrophobicContact CE2-CE 4.41Å; F155-M158 WeakPolarHBondContact O-CB 3.41Å; F155-M158 PolarHBondContact O-N 2.99Å; F155-V159 HydrophobicContact CD1-CG2 4.03Å; F155-V159 HydrophobicContact CE1-CG2 3.83Å; F155-V159 WeakPolarHBondContact O-CG2 3.32Å; F155-V159 PolarHBondContact O-N 2.83Å
156M94.4Very high94.2Very high9 Ų950.5 Ų50.54%0.04425%0.251CS..Hα-helixtrans-61.9-40.2172-176.167.6-161.500111.9F72 R73 I89 A149 N152 K153 M158 V159 K160F72-M156 HydrophobicContact CE1-CE 4.03Å; F72-M156 HydrophobicContact CE1-SD 3.92Å; R73-M156 HydrophobicContact CB-CE 4.42Å; I89-M156 HydrophobicContact CD1-CE 3.86Å; A149-M156 HydrophobicContact CB-CB 4.14Å; A149-M156 HydrophobicContact CB-SD 3.64Å; N152-M156 PolarHBondContact O-N 3.27Å; K153-M156 WeakPolarHBondContact O-CA 3.39Å; K153-M156 WeakPolarHBondContact O-CB 3.34Å; K153-M156 PolarHBondContact O-N 3.38Å; M156-M158 VanDerWaalsContact C-N 3.31Å; M156-V159 PolarHBondContact O-N 3.25Å; M156-K160 HydrophobicContact CE-CD 4.36Å; M156-K160 HydrophobicContact CE-CG 3.98Å; M156-K160 HydrophobicContact CG-CD 4.48Å; M156-K160 WeakPolarHBondContact O-CG 2.9Å; M156-K160 PolarHBondContact O-N 3.09Å
157D93.6Very high94.1Very high62 Ų6250.2 Ų50.233%0.33225%0.249SC..Hα-helixtrans-64.1-40.8176.6-63.8-28000110.2K153 P154 F155 V159 K160 D161K153-D157 PolarHBondContact O-N 3.07Å; P154-D157 PolarHBondContact O-N 3.36Å; F155-D157 VanDerWaalsContact C-N 3.31Å; F155-D157 PolarHBondContact O-N 3.48Å; D157-V159 PolarHBondContact O-N 2.9Å; D157-K160 WeakPolarHBondContact O-CB 3.15Å; D157-K160 PolarHBondContact O-N 3.15Å; D157-D161 PolarHBondContact O-N 2.82Å
158M93.3Very high94Very high31 Ų3145.3 Ų45.315%0.15323%0.232CC..Hα-helixtrans-58.3-42.6170.3-168.9-167.5-39.300112.7W114 L116 P154 F155 M156 D161 T162 Y481W114-M158 HydrophobicContact CB-CE 4.45Å; W114-M158 HydrophobicContact CB-SD 3.74Å; W114-M158 HydrophobicContact CG-CE 4.31Å; W114-M158 HydrophobicContact CG-SD 4.19Å; L116-M158 HydrophobicContact CD1-CG 4.29Å; L116-M158 HydrophobicContact CD1-SD 4.17Å; P154-M158 PolarHBondContact O-N 3.07Å; F155-M158 HydrophobicContact CD2-CE 3.9Å; F155-M158 HydrophobicContact CD2-SD 4.49Å; F155-M158 HydrophobicContact CE2-CE 4.41Å; F155-M158 WeakPolarHBondContact O-CB 3.41Å; F155-M158 PolarHBondContact O-N 2.99Å; M156-M158 VanDerWaalsContact C-N 3.31Å; M158-D161 PolarHBondContact O-N 2.77Å; M158-T162 VanDerWaalsContact O-CB 3.3Å; M158-T162 WeakPolarHBondContact O-CB 3.17Å; M158-T162 PolarHBondContact O-N 2.85Å; M158-T162 PolarHBondContact O-OG1 2.87Å; M158-Y481 HydrophobicContact CE-CE1 4.01Å
159V95.8Very high94Very high0 Ų048.2 Ų48.20%024%0.244CC..Hα-helixtrans-64-40.8176.5171.90000111.1I89 L116 F141 T145 L146 A149 F155 M156 D157 A163I89-V159 HydrophobicContact CG2-CG1 4.33Å; L116-V159 HydrophobicContact CD1-CG2 4Å; F141-V159 HydrophobicContact CD2-CG1 4.16Å; F141-V159 HydrophobicContact CE1-CG1 4.45Å; F141-V159 HydrophobicContact CE2-CG1 3.75Å; F141-V159 HydrophobicContact CZ-CG1 3.92Å; T145-V159 HydrophobicContact CG2-CG2 3.67Å; L146-V159 HydrophobicContact CD2-CG1 4.45Å; A149-V159 HydrophobicContact CB-CG2 4.19Å; F155-V159 HydrophobicContact CD1-CG2 4.03Å; F155-V159 HydrophobicContact CE1-CG2 3.83Å; F155-V159 WeakPolarHBondContact O-CG2 3.32Å; F155-V159 PolarHBondContact O-N 2.83Å; M156-V159 PolarHBondContact O-N 3.25Å; D157-V159 PolarHBondContact O-N 2.9Å; V159-A163 WeakPolarHBondContact O-CB 3.45Å; V159-A163 PolarHBondContact O-N 3.5Å
160K94.9Very high93.9Very high30 Ų3049.3 Ų49.313%0.1325%0.252CS..Hα-helixtrans-64.3-47.2176.4-70.7171.5178174.90111.4I75 I89 M156 D157 A163 I164 E182I75-K160 HydrophobicContact CD1-CB 4.47Å; I75-K160 HydrophobicContact CG2-CD 4.28Å; I75-K160 HydrophobicContact CG2-CG 4.18Å; I89-K160 HydrophobicContact CD1-CG 4.21Å; M156-K160 HydrophobicContact CE-CD 4.36Å; M156-K160 HydrophobicContact CE-CG 3.98Å; M156-K160 HydrophobicContact CG-CD 4.48Å; M156-K160 WeakPolarHBondContact O-CG 2.9Å; M156-K160 PolarHBondContact O-N 3.09Å; D157-K160 WeakPolarHBondContact O-CB 3.15Å; D157-K160 PolarHBondContact O-N 3.15Å; K160-A163 PolarHBondContact O-N 3Å; K160-I164 WeakPolarHBondContact O-CG1 3.32Å; K160-I164 PolarHBondContact O-N 2.6Å; K160-E182 WeakPolarHBondContact CE-OE2 3.4Å; K160-E182 IonicContact NZ-OE2 2.9Å; K160-E182 PolarHBondContact NZ-OE2 2.88Å
161D94.6Very high93.7Very high83 Ų8349.6 Ų49.644%0.44424%0.244SC..Hα-helixtrans-62.4-44.5177.8-70.6-20.3000111D157 M158 A163 I164 D165D157-D161 PolarHBondContact O-N 2.82Å; M158-D161 PolarHBondContact O-N 2.77Å; D161-A163 VanDerWaalsContact C-N 3.31Å; D161-A163 PolarHBondContact O-N 2.77Å; D161-I164 PolarHBondContact O-N 2.95Å; D161-D165 WeakPolarHBondContact O-CB 3.25Å; D161-D165 PolarHBondContact O-N 2.86Å
162T95.6Very high93.4Very high33 Ų3350.2 Ų50.220%0.20225%0.246CC..Hα-helixtrans-59.2-42.7175-54.90000111.6L116 Y118 F141 M158 D165 G166L116-T162 HydrophobicContact CB-CG2 4.38Å; Y118-T162 HydrophobicContact CD1-CG2 3.85Å; Y118-T162 HydrophobicContact CE1-CG2 3.8Å; F141-T162 HydrophobicContact CE1-CG2 4.3Å; M158-T162 VanDerWaalsContact O-CB 3.3Å; M158-T162 WeakPolarHBondContact O-CB 3.17Å; M158-T162 PolarHBondContact O-N 2.85Å; M158-T162 PolarHBondContact O-OG1 2.87Å; T162-D165 PolarHBondContact O-N 2.91Å; T162-G166 PolarHBondContact O-N 3.48Å
163A95.9Very high93.1Very high0 Ų048.9 Ų48.90%024%0.241CC..Hα-helixtrans-64.9-43.4178.300000112.1I87 V139 F141 V159 K160 D161 V167I87-A163 HydrophobicContact CG2-CB 4.4Å; V139-A163 HydrophobicContact CB-CB 4.25Å; V139-A163 HydrophobicContact CG1-CB 4.07Å; V139-A163 HydrophobicContact CG2-CB 4.11Å; F141-A163 HydrophobicContact CE2-CB 4.26Å; F141-A163 HydrophobicContact CZ-CB 4.16Å; V159-A163 WeakPolarHBondContact O-CB 3.45Å; V159-A163 PolarHBondContact O-N 3.5Å; K160-A163 PolarHBondContact O-N 3Å; D161-A163 VanDerWaalsContact C-N 3.31Å; D161-A163 PolarHBondContact O-N 2.77Å; A163-V167 VanDerWaalsContact O-CG2 3.3Å; A163-V167 WeakPolarHBondContact O-CG2 3.24Å; A163-V167 PolarHBondContact O-N 2.81Å; A163-V167 VanDerWaalsContact O-N 3.11Å
164I94.4Very high92.9Very high1 Ų149.4 Ų49.41%0.00524%0.243CC..Hα-helixtrans-64.7-47.4177-66163.7000110.1I75 I87 K160 D161 G166 V167 Q168 L175 K177 V180I75-I164 HydrophobicContact CD1-CD1 4.11Å; I75-I164 HydrophobicContact CD1-CG1 3.91Å; I87-I164 HydrophobicContact CD1-CG1 3.86Å; K160-I164 WeakPolarHBondContact O-CG1 3.32Å; K160-I164 PolarHBondContact O-N 2.6Å; D161-I164 PolarHBondContact O-N 2.95Å; I164-G166 VanDerWaalsContact C-N 3.33Å; I164-G166 PolarHBondContact O-N 2.75Å; I164-V167 PolarHBondContact O-N 2.68Å; I164-Q168 HydrophobicContact CG2-CG 4.3Å; I164-Q168 WeakPolarHBondContact O-CB 3.37Å; I164-Q168 WeakPolarHBondContact O-CG 3.33Å; I164-Q168 PolarHBondContact O-N 2.9Å; I164-L175 HydrophobicContact CG2-CB 4.1Å; I164-L175 HydrophobicContact CG2-CD1 4.19Å; I164-K177 HydrophobicContact CG2-CG 4.06Å; I164-V180 HydrophobicContact CD1-CG1 4.43Å; I164-V180 HydrophobicContact CD1-CG2 3.55Å
165D94.4Very high92.8Very high57 Ų5747 Ų4731%0.30523%0.227SC..Hα-helixtrans-61.8-41.8-180-78.911.9000111.8D161 T162 Q168 K169 K177D161-D165 WeakPolarHBondContact O-CB 3.25Å; D161-D165 PolarHBondContact O-N 2.86Å; T162-D165 PolarHBondContact O-N 2.91Å; D165-Q168 PolarHBondContact O-N 3.25Å; D165-K169 VanDerWaalsContact O-CB 3.3Å; D165-K169 WeakPolarHBondContact O-CB 3.3Å; D165-K169 PolarHBondContact O-N 3.35Å; D165-K177 WeakPolarHBondContact OD1-CE 3.35Å; D165-K177 IonicContact OD1-NZ 3.02Å; D165-K177 PolarHBondContact OD1-NZ 3.49Å; D165-K177 IonicContact OD2-NZ 2.81Å; D165-K177 PolarHBondContact OD2-NZ 2.91Å
166G93.6Very high92.5Very high1 Ų149.6 Ų49.61%0.0124%0.24CC..Hα-helixtrans-59.8-48.4175.300000112.2Y118 L120 T162 I164 Q168 K169 A170Y118-G166 WeakPolarHBondContact OH-CA 3.47Å; L120-G166 WeakPolarHBondContact CD1-O 3.32Å; T162-G166 PolarHBondContact O-N 3.48Å; I164-G166 VanDerWaalsContact C-N 3.33Å; I164-G166 PolarHBondContact O-N 2.75Å; G166-Q168 PolarHBondContact O-N 2.94Å; G166-K169 PolarHBondContact O-N 3.09Å; G166-A170 VanDerWaalsContact O-CB 3.32Å; G166-A170 WeakPolarHBondContact O-CB 3.42Å; G166-A170 PolarHBondContact O-N 3.3Å
167V93.5Very high92.1Very high0 Ų053.7 Ų53.70%026%0.258CS..Hα-helixtrans-62.9-43.5177.4172.70000111.2I87 L120 Y137 V139 A163 I164 K169 Y171 V173 L175I87-V167 HydrophobicContact CD1-CG2 4.43Å; I87-V167 HydrophobicContact CG2-CG2 4.47Å; L120-V167 HydrophobicContact CD2-CG2 4.11Å; Y137-V167 HydrophobicContact CD1-CG1 3.79Å; Y137-V167 HydrophobicContact CD2-CG1 3.67Å; Y137-V167 HydrophobicContact CE1-CG1 3.89Å; Y137-V167 HydrophobicContact CE2-CG1 3.76Å; Y137-V167 HydrophobicContact CG-CG1 3.66Å; Y137-V167 HydrophobicContact CG-CG2 4.12Å; V139-V167 HydrophobicContact CG2-CG2 3.89Å; A163-V167 VanDerWaalsContact O-CG2 3.3Å; A163-V167 WeakPolarHBondContact O-CG2 3.24Å; A163-V167 PolarHBondContact O-N 2.81Å; A163-V167 VanDerWaalsContact O-N 3.11Å; I164-V167 PolarHBondContact O-N 2.68Å; V167-K169 PolarHBondContact O-N 3.3Å; V167-Y171 HydrophobicContact CB-CD2 4.47Å; V167-Y171 HydrophobicContact CG1-CD2 3.9Å; V167-Y171 HydrophobicContact CG1-CE2 4.46Å; V167-Y171 WeakPolarHBondContact O-CD2 3.48Å; V167-Y171 PolarHBondContact O-N 3.22Å; V167-Y171 VanDerWaalsContact O-N 3.07Å; V167-V173 HydrophobicContact CG1-CG2 4.12Å; V167-L175 HydrophobicContact CB-CD1 4.14Å; V167-L175 HydrophobicContact CG1-CD1 3.7Å
168Q93.1Very high91.7Very high44 Ų4458.5 Ų58.521%0.20628%0.284CS..Hα-helixtrans-62.8-42.5178-72.5-165.2-11700112.6I164 D165 G166 K172 V173 L175 K177I164-Q168 HydrophobicContact CG2-CG 4.3Å; I164-Q168 WeakPolarHBondContact O-CB 3.37Å; I164-Q168 WeakPolarHBondContact O-CG 3.33Å; I164-Q168 PolarHBondContact O-N 2.9Å; D165-Q168 PolarHBondContact O-N 3.25Å; G166-Q168 PolarHBondContact O-N 2.94Å; Q168-K172 WeakPolarHBondContact O-CA 3.43Å; Q168-K172 PolarHBondContact O-N 2.92Å; Q168-K172 VanDerWaalsContact O-N 3.07Å; Q168-V173 WeakPolarHBondContact CA-O 3.39Å; Q168-V173 WeakPolarHBondContact CB-O 3.14Å; Q168-V173 VanDerWaalsContact CG-O 3.28Å; Q168-V173 WeakPolarHBondContact CG-O 3.36Å; Q168-V173 PolarHBondContact NE2-O 3.34Å; Q168-V173 PolarHBondContact O-N 3.09Å; Q168-L175 HydrophobicContact CG-CB 3.92Å; Q168-L175 HydrophobicContact CG-CD1 4.05Å; Q168-L175 HydrophobicContact CG-CG 3.85Å; Q168-K177 VanDerWaalsContact OE1-CE 3.32Å
169K92.8Very high91.3Very high116 Ų11659.4 Ų59.450%0.50429%0.289SS..Hα-helixtrans-68.4-49.7-180-171.7-179.5-179.3-172.80111.2D165 G166 V167 D486D165-K169 VanDerWaalsContact O-CB 3.3Å; D165-K169 WeakPolarHBondContact O-CB 3.3Å; D165-K169 PolarHBondContact O-N 3.35Å; G166-K169 PolarHBondContact O-N 3.09Å; V167-K169 PolarHBondContact O-N 3.3Å; K169-D486 IonicContact NZ-OD2 3.53Å; K169-D486 PolarHBondContact NZ-OD2 3.22Å
170A91.7Very high91.1Very high27 Ų2761.6 Ų61.622%0.22330%0.303CS..Hα-helixtrans-68.1-46.8-175.200000112.7L120 G166L120-A170 HydrophobicContact CD1-CB 3.39Å; G166-A170 VanDerWaalsContact O-CB 3.32Å; G166-A170 WeakPolarHBondContact O-CB 3.42Å; G166-A170 PolarHBondContact O-N 3.3Å
171Y88.6Confident91Very high76 Ų7666.6 Ų66.630%0.29832%0.321SS..Hα-helixtrans-94.53.4-176.5-56.8-70.3000113.5L120 Y121 P122 Y137 V167 V173L120-Y171 HydrophobicContact CD1-CE2 4.47Å; Y121-Y171 PolarHBondContact O-OH 2.84Å; P122-Y171 WeakPolarHBondContact CA-OH 3.32Å; Y137-Y171 AromaticContact CD1-CD2 3.82Å; Y137-Y171 HydrophobicContact CD1-CD2 3.82Å; Y137-Y171 AromaticContact CD1-CE2 3.67Å; Y137-Y171 HydrophobicContact CD1-CE2 3.67Å; Y137-Y171 AromaticContact CE1-CD2 3.56Å; Y137-Y171 HydrophobicContact CE1-CD2 3.56Å; Y137-Y171 AromaticContact CE1-CE2 3.86Å; Y137-Y171 HydrophobicContact CE1-CE2 3.86Å; Y137-Y171 AromaticContact CE1-CG 3.99Å; Y137-Y171 HydrophobicContact CE1-CG 3.99Å; V167-Y171 HydrophobicContact CB-CD2 4.47Å; V167-Y171 HydrophobicContact CG1-CD2 3.9Å; V167-Y171 HydrophobicContact CG1-CE2 4.46Å; V167-Y171 WeakPolarHBondContact O-CD2 3.48Å; V167-Y171 PolarHBondContact O-N 3.22Å; V167-Y171 VanDerWaalsContact O-N 3.07Å; Y171-V173 WeakPolarHBondContact O-CG1 3.48Å; Y171-V173 PolarHBondContact O-N 3.46Å; Y171-V173 VanDerWaalsContact O-N 3.15Å
172K88.4Confident90.9Very high186 Ų18666.6 Ų66.681%0.80932%0.318SS*.THydrogen-bonded Turntrans51.935.5-176.6-57.2176.7-175.3171.70112.4Q168Q168-K172 WeakPolarHBondContact O-CA 3.43Å; Q168-K172 PolarHBondContact O-N 2.92Å; Q168-K172 VanDerWaalsContact O-N 3.07Å
173V87.1Confident90.8Very high42 Ų4267.8 Ų67.826%0.25532%0.322SS..  trans-100.2152.1-179.1-65.40000111.9V167 Q168 Y171 L175V167-V173 HydrophobicContact CG1-CG2 4.12Å; Q168-V173 WeakPolarHBondContact CA-O 3.39Å; Q168-V173 WeakPolarHBondContact CB-O 3.14Å; Q168-V173 VanDerWaalsContact CG-O 3.28Å; Q168-V173 WeakPolarHBondContact CG-O 3.36Å; Q168-V173 PolarHBondContact NE2-O 3.34Å; Q168-V173 PolarHBondContact O-N 3.09Å; Y171-V173 WeakPolarHBondContact O-CG1 3.48Å; Y171-V173 PolarHBondContact O-N 3.46Å; Y171-V173 VanDerWaalsContact O-N 3.15Å; V173-L175 HydrophobicContact CG2-CD2 4.34Å; V173-L175 HydrophobicContact CG2-CG 4.17Å
174K89.2Confident90.5Very high168 Ų16876.1 Ų76.173%0.7336%0.358SS*.  trans-99.6116.9171.1-66.3-175.2-179.3179.70109.5A80A80-K174 PolarHBondContact N-O 3.18Å; A80-K174 VanDerWaalsContact N-O 3.16Å
175L89.3Confident90.4Very high15 Ų1578 Ų788%0.07937%0.37CS..BIsolated β-bridgetrans-110.3147.1175.4-60.4-179.7000110T77 C85 I87 I164 V167 Q168 V173 K177T77-L175 HydrophobicContact CG2-CB 4.28Å; T77-L175 HydrophobicContact CG2-CD1 4.25Å; T77-L175 HydrophobicContact CG2-CD2 4.15Å; T77-L175 HydrophobicContact CG2-CG 4.46Å; C85-L175 HydrophobicContact CB-CD2 4.19Å; I87-L175 HydrophobicContact CD1-CD1 3.97Å; I164-L175 HydrophobicContact CG2-CB 4.1Å; I164-L175 HydrophobicContact CG2-CD1 4.19Å; V167-L175 HydrophobicContact CB-CD1 4.14Å; V167-L175 HydrophobicContact CG1-CD1 3.7Å; Q168-L175 HydrophobicContact CG-CB 3.92Å; Q168-L175 HydrophobicContact CG-CD1 4.05Å; Q168-L175 HydrophobicContact CG-CG 3.85Å; V173-L175 HydrophobicContact CG2-CD2 4.34Å; V173-L175 HydrophobicContact CG2-CG 4.17Å; L175-K177 PolarHBondContact O-N 3.35Å
176D87.8Confident90.3Very high60 Ų6082.3 Ų82.332%0.32139%0.386SS..  trans-82.9102.2179-173.3-3.9000110.9T77 R78 N178 N179T77-D176 PolarHBondContact OG1-N 2.96Å; T77-D176 PolarHBondContact OG1-O 3.29Å; R78-D176 HydrophobicContact CB-CB 4.29Å; R78-D176 PolarHBondContact O-N 3.46Å; D176-N178 VanDerWaalsContact C-N 3.3Å; D176-N178 PolarHBondContact O-N 3.49Å; D176-N178 PolarHBondContact OD1-N 2.88Å; D176-N179 HydrophobicContact CB-CB 4.39Å; D176-N179 PolarHBondContact OD1-N 2.98Å; D176-N179 WeakPolarHBondContact OD2-CB 3.36Å
177K86.3Confident90.3Very high96 Ų9683.6 Ų83.642%0.41739%0.391SS..SBendtrans-70.2-24.2177.5-58.5-167.6-171.9-170.90113.3I164 D165 Q168 L175 V180I164-K177 HydrophobicContact CG2-CG 4.06Å; D165-K177 WeakPolarHBondContact OD1-CE 3.35Å; D165-K177 IonicContact OD1-NZ 3.02Å; D165-K177 PolarHBondContact OD1-NZ 3.49Å; D165-K177 IonicContact OD2-NZ 2.81Å; D165-K177 PolarHBondContact OD2-NZ 2.91Å; Q168-K177 VanDerWaalsContact OE1-CE 3.32Å; L175-K177 PolarHBondContact O-N 3.35Å; K177-V180 WeakPolarHBondContact O-CG2 3.49Å
178N84.7Confident90.2Very high163 Ų16385.5 Ų85.587%0.87240%0.399SS*.THydrogen-bonded Turntrans-82.9-23-176.9-64.8-27.3000112D176D176-N178 VanDerWaalsContact C-N 3.3Å; D176-N178 PolarHBondContact O-N 3.49Å; D176-N178 PolarHBondContact OD1-N 2.88Å
179N86.3Confident90Very high50 Ų5085 Ų8527%0.26741%0.406SS..THydrogen-bonded Turntrans-112.351.5-178.1-16715.1000112.2R78 D176R78-N179 WeakPolarHBondContact CD-ND2 3.32Å; D176-N179 HydrophobicContact CB-CB 4.39Å; D176-N179 PolarHBondContact OD1-N 2.98Å; D176-N179 WeakPolarHBondContact OD2-CB 3.36Å
180V91.1Very high89.7Confident46 Ų4684.4 Ų84.428%0.27941%0.412SS..  trans-91.5122175.3-178.30000108.9I75 R76 I164 K177I75-V180 HydrophobicContact CB-CG1 3.95Å; I75-V180 HydrophobicContact CD1-CG1 4.31Å; I75-V180 HydrophobicContact CG2-CG1 4.3Å; R76-V180 WeakPolarHBondContact O-CA 3.44Å; I164-V180 HydrophobicContact CD1-CG1 4.43Å; I164-V180 HydrophobicContact CD1-CG2 3.55Å; K177-V180 WeakPolarHBondContact O-CG2 3.49Å
181R92.7Very high89.5Confident134 Ų13486 Ų8651%0.50642%0.42SS..EExtended strand (participates in β ladder)trans-118135.1174.1-68.1-168.1-170.9-170.1-4110.5R76R76-R181 PolarHBondContact N-O 2.86Å; R76-R181 PolarHBondContact O-N 3.49Å
182E93.1Very high89.3Confident83 Ų8386.1 Ų86.139%0.38842%0.423SS..EExtended strand (participates in β ladder)trans-82.8135.2175.1-160175.2140.900110.7R73 K160R73-E182 VanDerWaalsContact CD-OE1 3.3Å; R73-E182 WeakPolarHBondContact CD-OE1 3.11Å; R73-E182 IonicContact CZ-OE1 2.89Å; R73-E182 IonicContact NE-OE1 3.43Å; R73-E182 IonicContact NH1-OE1 3.49Å; R73-E182 PolarHBondContact NH1-OE1 2.55Å; R73-E182 IonicContact NH1-OE2 3.67Å; K160-E182 WeakPolarHBondContact CE-OE2 3.4Å; K160-E182 IonicContact NZ-OE2 2.9Å; K160-E182 PolarHBondContact NZ-OE2 2.88Å
183M92.9Very high89.3Confident59 Ų5979.8 Ų79.829%0.29140%0.4SS..EExtended strand (participates in β ladder)trans-93.1150.2177.5-59.3-64.1-61.200110.3V74 R76 F86 T185V74-M183 HydrophobicContact CB-CB 4.11Å; V74-M183 HydrophobicContact CB-CG 4.38Å; V74-M183 HydrophobicContact CG1-CB 4.43Å; V74-M183 HydrophobicContact CG1-CG 4.17Å; V74-M183 PolarHBondContact O-N 3.36Å; R76-M183 HydrophobicContact CB-CG 4.14Å; R76-M183 HydrophobicContact CB-SD 3.96Å; F86-M183 HydrophobicContact CD1-CG 4.39Å; F86-M183 HydrophobicContact CE1-CE 4.39Å; F86-M183 HydrophobicContact CE1-CG 4.29Å; F86-M183 HydrophobicContact CE1-SD 4.2Å; M183-T185 PolarHBondContact O-N 2.86Å
184K89.6Confident89.1Confident175 Ų17578.2 Ų78.276%0.76139%0.391SS*.SBendtrans-67.4-25.4174.8-60.6177.4-169.7160.40112.8E451K184-E451 IonicContact NZ-OE1 3.97Å; K184-E451 PolarHBondContact NZ-OE1 3.5Å; K184-E451 IonicContact NZ-OE2 3.59Å; K184-E451 PolarHBondContact NZ-OE2 2.92Å
185T91.8Very high89.1Confident41 Ų4172.3 Ų72.325%0.25237%0.367SS..SBendtrans-75.4143.5179.552.80000111.5V74 M183 V448V74-T185 WeakPolarHBondContact CG2-O 3.44Å; M183-T185 PolarHBondContact O-N 2.86Å; T185-V448 HydrophobicContact CG2-CG2 4.44Å
186K92Very high89Confident146 Ų14672.7 Ų72.764%0.63537%0.369SS*.SBendtrans-78.9-22.3178.1-62.4-178.1-178.91760114P71P71-K186 HydrophobicContact CB-CB 4.06Å
187Y94Very high89.1Confident28 Ų2874.9 Ų74.911%0.1137%0.373CS..  trans-153.6141.6178.9-163.3-90.9000110.8P71 N88 C90 R124 D138 G189 T190 P191P71-Y187 HydrophobicContact CB-CD2 4.38Å; P71-Y187 HydrophobicContact CG-CD2 4.15Å; P71-Y187 HydrophobicContact CG-CG 4.31Å; N88-Y187 HydrophobicContact CB-CD2 3.78Å; N88-Y187 HydrophobicContact CB-CE2 3.66Å; N88-Y187 WeakPolarHBondContact ND2-CE2 3.18Å; N88-Y187 VanDerWaalsContact ND2-CZ 3.28Å; C90-Y187 VanDerWaalsContact SG-CE2 3.58Å; R124-Y187 PolarHBondContact NH2-OH 3.35Å; D138-Y187 PolarHBondContact OD1-OH 2.74Å; D138-Y187 PolarHBondContact OD2-OH 2.74Å; Y187-G189 WeakPolarHBondContact CD1-O 3.18Å; Y187-T190 VanDerWaalsContact CE1-C 3.49Å; Y187-P191 HydrophobicContact CD1-CG 3.76Å; Y187-P191 HydrophobicContact CD2-CG 4.27Å; Y187-P191 HydrophobicContact CE1-CB 4.27Å; Y187-P191 HydrophobicContact CE1-CG 3.76Å; Y187-P191 VanDerWaalsContact CE1-N 3.33Å; Y187-P191 HydrophobicContact CE2-CB 4.42Å; Y187-P191 HydrophobicContact CE2-CG 4.26Å; Y187-P191 HydrophobicContact CG-CG 4.03Å; Y187-P191 WeakPolarHBondContact OH-CA 3.33Å
188K92.4Very high89.1Confident41 Ų4174.9 Ų74.918%0.17837%0.37CS..SBendtrans-105.8127171.9179.472.7176.4-176.90109.2V74 F86 N88 D128 F134 I136V74-K188 HydrophobicContact CG1-CB 4.23Å; F86-K188 HydrophobicContact CB-CB 4.31Å; F86-K188 HydrophobicContact CB-CG 4.19Å; F86-K188 HydrophobicContact CD1-CG 4.37Å; F86-K188 HydrophobicContact CD2-CG 4.28Å; F86-K188 HydrophobicContact CG-CG 4.03Å; N88-K188 PolarHBondContact ND2-O 3.16Å; N88-K188 PolarHBondContact OD1-N 3.06Å; D128-K188 IonicContact OD1-NZ 3.35Å; D128-K188 PolarHBondContact OD1-NZ 3.35Å; F134-K188 HydrophobicContact CE2-CD 4.27Å; F134-K188 HydrophobicContact CE2-CG 4.04Å; F134-K188 HydrophobicContact CZ-CD 4.48Å; I136-K188 HydrophobicContact CD1-CG 4.17Å; I136-K188 HydrophobicContact CG1-CG 4.2Å
189G88.3Confident89.3Confident34 Ų3471.3 Ų71.335%0.35136%0.356SS..SBendtrans88.2-158.5-17600000112.4Y187Y187-G189 WeakPolarHBondContact CD1-O 3.18Å
190T86.7Confident89.3Confident102 Ų10270.9 Ų70.963%0.62635%0.353SS*.  trans-105.5125.2176.7-58.60000109.9Y187 Q192Y187-T190 VanDerWaalsContact CE1-C 3.49Å; T190-Q192 PolarHBondContact O-N 3.46Å
191P87Confident88.9Confident62 Ų6274.8 Ų74.840%0.40338%0.379SS..  trans-56.3126.2174.9-25.233.9000111.8P69 P71 Y187P69-P191 HydrophobicContact CG-CB 4.33Å; P71-P191 HydrophobicContact CG-CG 4.3Å; Y187-P191 HydrophobicContact CD1-CG 3.76Å; Y187-P191 HydrophobicContact CD2-CG 4.27Å; Y187-P191 HydrophobicContact CE1-CB 4.27Å; Y187-P191 HydrophobicContact CE1-CG 3.76Å; Y187-P191 VanDerWaalsContact CE1-N 3.33Å; Y187-P191 HydrophobicContact CE2-CB 4.42Å; Y187-P191 HydrophobicContact CE2-CG 4.26Å; Y187-P191 HydrophobicContact CG-CG 4.03Å; Y187-P191 WeakPolarHBondContact OH-CA 3.33Å
192Q85.1Confident88.1Confident78 Ų7871.8 Ų71.836%0.36439%0.39SS..  trans-109.6142.2177.6-69.8-179.6-25.300110.4P69 Y121 R124 T190P69-Q192 WeakPolarHBondContact CD-O 3.47Å; P69-Q192 WeakPolarHBondContact CG-O 3.2Å; Y121-Q192 PolarHBondContact OH-OE1 3.4Å; Y121-Q192 VanDerWaalsContact OH-OE1 3.09Å; R124-Q192 VanDerWaalsContact CD-OE1 3.23Å; T190-Q192 PolarHBondContact O-N 3.46Å
193T87.1Confident87.3Confident53 Ų5371.8 Ų71.833%0.32539%0.389SS..  trans-75.5133.9175.5-55.10000109R46 F66 Q68R46-T193 PolarHBondContact NH2-OG1 3.17Å; F66-T193 HydrophobicContact CB-CG2 4.21Å; F66-T193 HydrophobicContact CD1-CG2 4.01Å; Q68-T193 HydrophobicContact CG-CG2 3.84Å
194C84.7Confident86.1Confident9 Ų975 Ų756%0.06141%0.408CS..EExtended strand (participates in β ladder)trans-105.7152.2-179.2-46.30000109.5F66 I67 Y121F66-C194 WeakPolarHBondContact CA-O 3.39Å; I67-C194 HydrophobicContact CB-CB 4.19Å; I67-C194 PolarHBondContact N-O 2.85Å; I67-C194 PolarHBondContact O-N 3.48Å; Y121-C194 HydrophobicContact CD2-CB 3.93Å; Y121-C194 WeakPolarHBondContact CD2-SG 3.38Å; Y121-C194 HydrophobicContact CE2-CB 4.25Å
195I88.9Confident84.7Confident43 Ų4369.7 Ų69.722%0.22140%0.396CS..EExtended strand (participates in β ladder)trans-117.4120.5176.6-67.7170.7000108.9V64 F66 R197 Q492V64-I195 HydrophobicContact CB-CG2 4.49Å; V64-I195 HydrophobicContact CG1-CG2 3.61Å; V64-I195 HydrophobicContact CG2-CG2 4.17Å; F66-I195 HydrophobicContact CD1-CD1 4.27Å; F66-I195 HydrophobicContact CD1-CG1 3.72Å; F66-I195 HydrophobicContact CE1-CD1 3.64Å; F66-I195 HydrophobicContact CE1-CG1 3.61Å; F66-I195 HydrophobicContact CZ-CD1 4.28Å; F66-I195 HydrophobicContact CZ-CG1 4.42Å; I195-R197 HydrophobicContact CG2-CG 4.03Å; I195-Q492 PolarHBondContact O-NE2 3.39Å
196I86.2Confident83Confident24 Ų2476.6 Ų76.612%0.12343%0.425CS..EExtended strand (participates in β ladder)trans-93.8126.8165.9-61.6-165.8000108.3V64 D65 I67 I95 R198V64-I196 WeakPolarHBondContact CA-O 3.4Å; D65-I196 HydrophobicContact CB-CB 4.4Å; D65-I196 PolarHBondContact N-O 2.97Å; D65-I196 PolarHBondContact O-N 3.28Å; I67-I196 HydrophobicContact CD1-CD1 3.2Å; I67-I196 HydrophobicContact CD1-CG1 3.55Å; I67-I196 HydrophobicContact CG1-CD1 4.31Å; I67-I196 HydrophobicContact CG1-CG1 4.23Å; I95-I196 HydrophobicContact CD1-CD1 4.37Å; I196-R198 HydrophobicContact CG2-CG 4.13Å
197R89.4Confident81Confident106 Ų10677.1 Ų77.140%0.444%0.435SS..EExtended strand (participates in β ladder)trans-104.9130.4173.9-61.3-177.5173.788.53.1108.7E57 V64 I195 Y490E57-R197 IonicContact OE1-CZ 3.23Å; E57-R197 IonicContact OE1-NE 3.61Å; E57-R197 PolarHBondContact OE1-NE 3.4Å; E57-R197 IonicContact OE1-NH2 3.04Å; E57-R197 PolarHBondContact OE1-NH2 3.24Å; E57-R197 IonicContact OE2-NE 2.77Å; V64-R197 HydrophobicContact CG2-CG 4.09Å; I195-R197 HydrophobicContact CG2-CG 4.03Å; R197-Y490 WeakPolarHBondContact O-CE1 3.37Å
198R87.8Confident79Confident95 Ų9580.4 Ų80.436%0.35845%0.454SS..EExtended strand (participates in β ladder)trans-124.7129.7171.6-57-169-164.396.70.7109.1N62 S63 D65 I196N62-R198 CarbonylContact C-O 3.53Å; N62-R198 WeakPolarHBondContact CA-O 3.27Å; S63-R198 PolarHBondContact N-O 2.87Å; S63-R198 PolarHBondContact O-N 2.93Å; D65-R198 IonicContact OD2-CZ 3.67Å; D65-R198 IonicContact OD2-NH1 3.28Å; D65-R198 PolarHBondContact OD2-NH1 2.86Å; D65-R198 IonicContact OD2-NH2 2.6Å; I196-R198 HydrophobicContact CG2-CG 4.13Å
199P87.9Confident76.9Confident88 Ų8884.2 Ų84.257%0.57149%0.486SS*.EExtended strand (participates in β ladder)trans-63.7139176.927.6-33.8000109.9P201P199-P201 WeakPolarHBondContact O-CD 3.43Å
200I87Confident74.6Confident41 Ų4186.4 Ų86.421%0.2150%0.496CS..PPolyproline II helixtrans-79.4121.4177.1-59.4154.5000108.3Q58 G61 G202 F203Q58-I200 HydrophobicContact CG-CD1 4.19Å; G61-I200 VanDerWaalsContact C-CD1 3.46Å; G61-I200 WeakPolarHBondContact O-CG1 3.36Å; G61-I200 PolarHBondContact O-N 3.27Å; I200-G202 PolarHBondContact O-N 3.43Å; I200-F203 HydrophobicContact CB-CB 4.26Å; I200-F203 PolarHBondContact O-N 3.11Å
201P82.1Confident72.5Confident128 Ų12887.8 Ų87.883%0.83151%0.507SS*.THydrogen-bonded Turntrans-59.2125.3177.4-23.534.3000111.3P199P199-P201 WeakPolarHBondContact O-CD 3.43Å
202G76.1Confident70.1Confident72 Ų7290.7 Ų90.774%0.74252%0.518SS*.THydrogen-bonded Turntrans85.212.5177.100000115.8I200 N204I200-G202 PolarHBondContact O-N 3.43Å; G202-N204 PolarHBondContact O-N 2.82Å
203F76.5Confident68Low83 Ų8391.9 Ų91.936%0.36453%0.533SS..  trans-73.3118.4174.7-173.4-95.1000111.7E59 G61 I200E59-F203 VanDerWaalsContact O-CZ 3.26Å; E59-F203 WeakPolarHBondContact O-CZ 3.38Å; G61-F203 VanDerWaalsContact CA-CE1 3.49Å; G61-F203 VanDerWaalsContact CA-CG 3.5Å; I200-F203 HydrophobicContact CB-CB 4.26Å; I200-F203 PolarHBondContact O-N 3.11Å
204N66.6Low65.5Low127 Ų12796.2 Ų96.268%0.67955%0.553SS**  trans-88.8110.1174.3-68.5-42.6000109.7G202 E206G202-N204 PolarHBondContact O-N 2.82Å; N204-E206 PolarHBondContact O-N 2.86Å; N204-E206 VanDerWaalsContact O-N 3.09Å
205A61.6Low63.2Low62 Ų62103.5 Ų103.551%0.51259%0.591SS.*G310 helixtrans-68.7-1.5-179.300000114.5N207 L208A205-N207 PolarHBondContact O-N 2.91Å; A205-L208 HydrophobicContact CB-CD1 4.43Å; A205-L208 PolarHBondContact O-N 3.18Å
206E56.4Low60.5Low186 Ų186109 Ų10987%0.86962%0.616SS**G310 helixtrans-69.1-12.4-175.5-64.2-172.7166.600114.3N204N204-E206 PolarHBondContact O-N 2.86Å; N204-E206 VanDerWaalsContact O-N 3.09Å
207N49.8Very low57.9Low157 Ų157113.6 Ų113.684%0.8464%0.644SS**G310 helixtrans-96.48177.8-91.2-42000115A205 S209A205-N207 PolarHBondContact O-N 2.91Å; N207-S209 PolarHBondContact O-N 2.94Å
208L51.2Low55.1Low97 Ų97114.1 Ų114.151%0.50866%0.662SS.*  trans-76.462.6174.6-74.7165.8000111.5E59 A205 S210E59-L208 WeakPolarHBondContact O-CD2 3.44Å; A205-L208 HydrophobicContact CB-CD1 4.43Å; A205-L208 PolarHBondContact O-N 3.18Å; L208-S210 PolarHBondContact O-N 2.95Å; L208-S210 VanDerWaalsContact O-N 3.07Å
209S47.5Very low52.5Low121 Ų121116.5 Ų116.585%0.84668%0.677SS**  trans-8069.9166.3170.40000110.1N207N207-S209 PolarHBondContact O-N 2.94Å
210S40.5Very low49.7Very low81 Ų81117.9 Ų117.957%0.56669%0.685SS**  trans-167.9108.9155-176.90000109.6L208 L212L208-S210 PolarHBondContact O-N 2.95Å; L208-S210 VanDerWaalsContact O-N 3.07Å; S210-L212 VanDerWaalsContact C-N 3.33Å; S210-L212 PolarHBondContact O-N 2.99Å
211P43.1Very low46.9Very low130 Ų130127.5 Ų127.584%0.84472%0.719SS**  trans-76.888.6170.830.4-28.9000108.4
212L36.7Very low44.5Very low124 Ų124130 Ų13065%0.64972%0.722SS**  trans-68.5132.1158.2-75.4176000107.9S210 L214S210-L212 VanDerWaalsContact C-N 3.33Å; S210-L212 PolarHBondContact O-N 2.99Å; L212-L214 PolarHBondContact O-N 3.2Å
213P39.9Very low42.2Very low103 Ų103136 Ų13667%0.66973%0.728SS**  trans-58.7114.1-175.1-19.429.7000109.7L215P213-L215 PolarHBondContact O-N 3.21Å
214L36Very low40Very low144 Ų144137.5 Ų137.575%0.75475%0.748SS**  trans-59.9104.7167.7-149.783.3000106.2L212 E216L212-L214 PolarHBondContact O-N 3.2Å; L214-E216 HydrophobicContact CD2-CG 3.94Å; L214-E216 PolarHBondContact O-N 3.13Å
215L35.3Very low38.3Very low162 Ų162140.7 Ų140.785%0.84876%0.759SS**  trans-67.587.9163.5-82.4167.8000106.3P213 V217P213-L215 PolarHBondContact O-N 3.21Å; L215-V217 VanDerWaalsContact C-N 3.28Å; L215-V217 PolarHBondContact O-N 2.79Å
216E32.5Very low36.7Very low159 Ų159146.6 Ų146.674%0.74378%0.776SS**  trans-62.592.8169.5-74176.4161.900108L214 P218L214-E216 HydrophobicContact CD2-CG 3.94Å; L214-E216 PolarHBondContact O-N 3.13Å; E216-P218 VanDerWaalsContact O-CD 3.26Å; E216-P218 WeakPolarHBondContact O-CD 3.3Å
217V32.8Very low35.5Very low120 Ų120143.1 Ų143.173%0.72777%0.773SS**  trans-68116.9162.9-177.70000105.9L215 E219L215-V217 VanDerWaalsContact C-N 3.28Å; L215-V217 PolarHBondContact O-N 2.79Å; V217-E219 PolarHBondContact O-N 2.85Å
218P30.4Very low34.8Very low117 Ų117141.3 Ų141.376%0.7677%0.769SS**  trans-66.9109.2-179.9-15.429.3000108.7E216E216-P218 VanDerWaalsContact O-CD 3.26Å; E216-P218 WeakPolarHBondContact O-CD 3.3Å
219E32.6Very low33.8Very low144 Ų144142.5 Ų142.567%0.67378%0.783SS**  trans-63.6132.6170.6-72.3-162.215900110V217 R221V217-E219 PolarHBondContact O-N 2.85Å; E219-R221 PolarHBondContact O-N 2.77Å
220P30Very low32.9Very low117 Ų117144.9 Ų144.976%0.7679%0.785SS**  trans-70.5101.3176.227.4-30.9000109.6M222P220-M222 PolarHBondContact O-N 2.89Å
221R28Very low32.3Very low244 Ų244147.8 Ų147.892%0.92180%0.799SS**  trans-59.4103168.6-71.7-178.4-179.31660.8110E219 K223E219-R221 PolarHBondContact O-N 2.77Å; R221-K223 PolarHBondContact O-N 2.96Å
222M30.9Very low31.6Very low180 Ų180148.8 Ų148.889%0.88780%0.804SS**  trans-70.2115.3163.5-64.6-164.4-166.700108.1P220 S224P220-M222 PolarHBondContact O-N 2.89Å; M222-S224 PolarHBondContact O-N 2.97Å
223K27.7Very low31.3Very low199 Ų199146.6 Ų146.687%0.86581%0.811SS**  trans-73.4113.1169.1-70.9-178.2177.8-1770108.3R221R221-K223 PolarHBondContact O-N 2.96Å
224S30.6Very low30.7Very low114 Ų114145.5 Ų145.580%0.79782%0.818SS**  trans-73.1116.2161.243.50000108.7M222 E226M222-S224 PolarHBondContact O-N 2.97Å; S224-E226 PolarHBondContact O-N 2.95Å
225E30.1Very low30.5Very low193 Ų193146.3 Ų146.390%0.90282%0.823SS**  trans-77.4109.2168.9-70.7-178.9161.800108.8
226E29.1Very low30.3Very low187 Ų187145 Ų14587%0.87482%0.822SS**PPolyproline II helixtrans-72.2129.6160.9-85.8177.8146.200109.1S224S224-E226 PolarHBondContact O-N 2.95Å
227S31.4Very low30.7Very low113 Ų113146.1 Ų146.179%0.7983%0.827SS**PPolyproline II helixtrans-88.2136.7172.233.50000109.6
228P33.8Very low30.9Very low118 Ų118149 Ų14977%0.76683%0.832SS**PPolyproline II helixtrans-80.3158.6172.630.2-30.2000111.9
229P31.3Very low31.3Very low123 Ų123152.4 Ų152.480%0.79984%0.838SS**PPolyproline II helixtrans-79.5149-165.9-1.518.7000113.3
230L28.7Very low31.3Very low171 Ų171152.3 Ų152.390%0.89584%0.843SS**PPolyproline II helixtrans-66.7132.9168.6-76.4107.9000111.6
231T27.6Very low31.9Very low141 Ų141156.3 Ų156.387%0.86585%0.851SS**  trans-122.8130.9152.642.70000110.3
232T28.8Very low32.3Very low152 Ų152149.7 Ų149.793%0.93384%0.842SS**  trans-83.5141-177.2-16.40000110.9
233G29Very low32.8Very low77 Ų77150.6 Ų150.679%0.79484%0.844SS**  trans151.6103.7153.500000117.3
234G29.2Very low33.3Very low81 Ų81147.3 Ų147.384%0.83584%0.836SS**  trans84.5120.3130.200000120.6
235D31.1Very low34Very low160 Ų160151.6 Ų151.686%0.85684%0.841SS**  trans-44.4150.7174-71.5-59.2000117.9
236V31.2Very low35.2Very low134 Ų134149.2 Ų149.281%0.81283%0.829SS**  -177.4132.6108.2164.40000110.2
237Q40.9Very low36.8Very low184 Ų184148.8 Ų148.886%0.8683%0.827SS**  trans-65136171.8-66.8173.7-15.400112.2
238Q36.1Very low39Very low179 Ų179146 Ų14684%0.83681%0.807SS**  trans-146.8113.4147.2-111.2171.141.700110.4
239Q39.4Very low41.3Very low189 Ų189145.6 Ų145.688%0.88380%0.795SS**  trans-66.6126.6163.6-69.4175.7-20.600108.5
240N32.2Very low43.9Very low143 Ų143148.1 Ų148.177%0.76579%0.793SS**  trans-151.4124.3152.3-99.5-33.2000110.4S242N240-S242 PolarHBondContact O-N 2.78Å
241Q42.7Very low46.9Very low200 Ų200140.4 Ų140.494%0.93575%0.753SS**  trans-57.3124.3170.3-69.1172.71.100109.2
242S36Very low49.9Very low106 Ų106141.7 Ų141.774%0.74175%0.746SS**  trans-143.2129.4166.7-57.50000107.3N240 N244N240-S242 PolarHBondContact O-N 2.78Å; S242-N244 PolarHBondContact O-N 3.26Å; S242-N244 VanDerWaalsContact O-N 3.13Å
243Q42.4Very low53Low199 Ų199139.9 Ų139.993%0.9372%0.723SS**  trans-52.2116.5-175.8-66175.5-27.600110.9K245Q243-K245 PolarHBondContact O-N 3.5Å
244N37.4Very low56.2Low130 Ų130142.2 Ų142.270%0.69571%0.708SS**  trans-71.695.3-176.7-156.70.6000109S242 Q246S242-N244 PolarHBondContact O-N 3.26Å; S242-N244 VanDerWaalsContact O-N 3.13Å; N244-Q246 HydrophobicContact CB-CG 4.43Å; N244-Q246 PolarHBondContact O-N 3.27Å
245K46.4Very low59.3Low204 Ų204140.5 Ų140.589%0.88768%0.681SS**  trans-63.289.2154.2-93.2-179.3175.5178.80105.6Q243 E247Q243-K245 PolarHBondContact O-N 3.5Å; K245-E247 PolarHBondContact O-N 3.02Å
246Q54.6Low62.4Low142 Ų142138.4 Ų138.466%0.66467%0.665SS**  trans-61.1114175.2-70.8-164.1-23.100108N244N244-Q246 HydrophobicContact CB-CG 4.43Å; N244-Q246 PolarHBondContact O-N 3.27Å
247E63Low65.4Low178 Ų178137.7 Ų137.783%0.83265%0.648SS**PPolyproline II helixtrans-60.7128.9169-164.4172.1-178.200107.5K245 E249K245-E247 PolarHBondContact O-N 3.02Å; E247-E249 PolarHBondContact O-N 2.81Å
248P76.6Confident67.8Low55 Ų55135 Ų13536%0.35763%0.63SS.*PPolyproline II helixtrans-60.1128.7-175.919.7-28.8000110.2A313 R315P248-A313 CarbonylContact C-O 3.59Å; P248-A313 VanDerWaalsContact CA-O 3.3Å; P248-A313 WeakPolarHBondContact CA-O 3.24Å; P248-A313 HydrophobicContact CB-CB 4.12Å; P248-R315 HydrophobicContact CB-CB 3.76Å; P248-R315 HydrophobicContact CG-CB 3.86Å
249E83.4Confident70.2Confident110 Ų110129.9 Ų129.951%0.51461%0.614SS.*BIsolated β-bridgetrans-65.7143.2-179.5-169.5176.1-172.400109.4E247 P251 A313 Y314 R315E247-E249 PolarHBondContact O-N 2.81Å; E249-P251 WeakPolarHBondContact O-CD 3.34Å; E249-A313 PolarHBondContact N-O 3.03Å; E249-Y314 HydrophobicContact CB-CD1 3.97Å; E249-Y314 HydrophobicContact CB-CE1 3.82Å; E249-Y314 HydrophobicContact CG-CE1 4Å; E249-Y314 WeakPolarHBondContact O-CA 3.36Å; E249-Y314 VanDerWaalsContact O-CD1 3.32Å; E249-Y314 WeakPolarHBondContact O-CD1 3.42Å; E249-R315 PolarHBondContact O-N 3.36Å
250K86.3Confident72.3Confident176 Ų176127.9 Ų127.977%0.76560%0.603SS**  trans-90.4113.8175.3-72-177.4-178.1174.80109
251P90.1Very high74.6Confident8 Ų8126.1 Ų126.15%0.05260%0.597CS.*  trans-71.2150.5-178.830.6-34.8000111.3E249 I285 D286 L287 Y314 L316E249-P251 WeakPolarHBondContact O-CD 3.34Å; P251-I285 HydrophobicContact CB-CG2 3.73Å; P251-I285 HydrophobicContact CG-CG2 3.7Å; P251-D286 WeakPolarHBondContact CB-O 3.33Å; P251-L287 HydrophobicContact CB-CD2 3.63Å; P251-L287 HydrophobicContact CG-CD2 4.04Å; P251-Y314 HydrophobicContact CB-CD1 3.97Å; P251-Y314 HydrophobicContact CB-CE1 4.23Å; P251-Y314 HydrophobicContact CG-CD1 4.24Å; P251-L316 HydrophobicContact CG-CB 3.9Å; P251-L316 HydrophobicContact CG-CD2 4.36Å
252K91.9Very high76.3Confident168 Ų168120.4 Ų120.473%0.7357%0.573SS**EExtended strand (participates in β ladder)trans-71.7140.2172.8-67.5-179.3-178.8178.50109D286K252-D286 HydrophobicContact CB-CB 4.32Å; K252-D286 PolarHBondContact O-N 3.49Å
253Y94Very high78.4Confident114 Ų114122.8 Ų122.845%0.44758%0.577SS.*EExtended strand (participates in β ladder)trans-142.4160.9-179.267.9-88.4000112.2V255 T284 L316 L318Y253-V255 HydrophobicContact CD2-CG2 4.04Å; Y253-V255 HydrophobicContact CE2-CG2 4.17Å; Y253-T284 CarbonylContact C-O 3.5Å; Y253-T284 WeakPolarHBondContact CA-O 3.07Å; Y253-L316 HydrophobicContact CD1-CD1 3.65Å; Y253-L316 HydrophobicContact CD1-CD2 4.08Å; Y253-L316 HydrophobicContact CE1-CD1 3.74Å; Y253-L316 HydrophobicContact CG-CD2 4.23Å; Y253-L318 HydrophobicContact CD2-CD1 4.14Å; Y253-L318 HydrophobicContact CD2-CD2 4.22Å; Y253-L318 HydrophobicContact CE2-CD1 3.41Å; Y253-L318 VanDerWaalsContact CE2-CD1 3.41Å; Y253-L318 HydrophobicContact CE2-CD2 4.31Å; Y253-L318 HydrophobicContact CE2-CG 4.49Å
254R95.2Very high80.2Confident126 Ų126118.7 Ų118.748%0.47556%0.557SS.*EExtended strand (participates in β ladder)trans-138.6129.9175.6-179.9174.958.6-135.3-6.2109.5K256 I283 T284R254-K256 HydrophobicContact CG-CG 4.4Å; R254-I283 WeakPolarHBondContact O-CA 3.37Å; R254-T284 PolarHBondContact N-O 3.32Å; R254-T284 PolarHBondContact O-N 2.86Å
255V95.2Very high81.9Confident45 Ų45114.3 Ų114.327%0.27353%0.534SS..EExtended strand (participates in β ladder)trans-105.5130.5175.6-174.20000108.6Y253 Y257 I281 I283 L318Y253-V255 HydrophobicContact CD2-CG2 4.04Å; Y253-V255 HydrophobicContact CE2-CG2 4.17Å; V255-Y257 HydrophobicContact CG1-CE1 4.41Å; V255-Y257 HydrophobicContact CG1-CE2 4.35Å; V255-I281 HydrophobicContact CG1-CG2 3.61Å; V255-I283 HydrophobicContact CG1-CG1 4.41Å; V255-I283 HydrophobicContact CG2-CG1 4.44Å; V255-I283 HydrophobicContact CG2-CG2 4.48Å; V255-L318 HydrophobicContact CG2-CD2 3.93Å
256K95.1Very high83.3Confident116 Ų116110.6 Ų110.650%0.50452%0.518SS..EExtended strand (participates in β ladder)trans-125.2138.7174.5-68.2-175175.2-175.60109.4R254 V282R254-K256 HydrophobicContact CG-CG 4.4Å; K256-V282 HydrophobicContact CB-CB 4.43Å; K256-V282 PolarHBondContact N-O 3.1Å; K256-V282 PolarHBondContact O-N 3.5Å
257Y94.2Very high84.6Confident120 Ų120109.7 Ų109.747%0.47151%0.509SS..EExtended strand (participates in β ladder)trans-99.8134.2174.6-60.2-77.7000109.1V255 P278 I281 Y322V255-Y257 HydrophobicContact CG1-CE1 4.41Å; V255-Y257 HydrophobicContact CG1-CE2 4.35Å; Y257-P278 HydrophobicContact CD1-CB 4.27Å; Y257-P278 HydrophobicContact CD1-CG 3.65Å; Y257-P278 HydrophobicContact CE1-CG 4.5Å; Y257-P278 HydrophobicContact CG-CB 4.49Å; Y257-P278 HydrophobicContact CG-CG 4.18Å; Y257-I281 HydrophobicContact CD1-CD1 4.45Å; Y257-I281 HydrophobicContact CD1-CG1 3.85Å; Y257-I281 HydrophobicContact CE1-CD1 3.99Å; Y257-I281 HydrophobicContact CE1-CG1 3.86Å; Y257-I281 HydrophobicContact CE1-CG2 4.34Å; Y257-Y322 HydrophobicContact CD1-CD2 4.34Å; Y257-Y322 HydrophobicContact CD1-CE2 4.22Å; Y257-Y322 AromaticContact CE1-CD2 3.9Å; Y257-Y322 HydrophobicContact CE1-CD2 3.9Å; Y257-Y322 AromaticContact CE1-CE2 3.9Å; Y257-Y322 HydrophobicContact CE1-CE2 3.9Å
258R91Very high85.2Confident126 Ų126108.1 Ų108.148%0.47552%0.516SS..EExtended strand (participates in β ladder)trans-125.7132.5-177.3-174.2169.581.1171.66.2110.3K279 E280R258-K279 PolarHBondContact O-N 2.89Å; R258-K279 VanDerWaalsContact O-N 3.15Å; R258-E280 HydrophobicContact CB-CB 4.4Å; R258-E280 IonicContact CZ-OE2 3Å; R258-E280 PolarHBondContact N-O 2.66Å; R258-E280 IonicContact NE-OE2 2.72Å; R258-E280 PolarHBondContact NE-OE2 3.23Å; R258-E280 IonicContact NH2-OE1 2.55Å; R258-E280 IonicContact NH2-OE2 3.49Å; R258-E280 PolarHBondContact NH2-OE2 3.28Å; R258-E280 PolarHBondContact O-N 3.02Å
259S88.1Confident85.2Confident72 Ų72108.2 Ų108.250%0.50352%0.517SS..  trans-129.1145.7169.452.30000109.2
260K82.6Confident84.9Confident147 Ų147114.6 Ų114.664%0.63954%0.537SS*.  trans-89.3126.5167.7-65.9-179.4-175.8174.50107.5K279K260-K279 PolarHBondContact O-NZ 2.81Å; K260-K279 VanDerWaalsContact O-NZ 3.1Å
261V80Confident84.3Confident106 Ų106112.5 Ų112.564%0.64253%0.534SS*.  trans-103.4113.5-178.8179.50000107F266V261-F266 HydrophobicContact CG1-CE2 3.32Å; V261-F266 HydrophobicContact CG1-CZ 3.61Å
262D78.5Confident83.5Confident80 Ų80112.9 Ų112.943%0.42854%0.537SS..  trans-97.4137.8170.4-165.7-32000108.9Q264 D265 F266D262-Q264 PolarHBondContact O-N 2.92Å; D262-Q264 WeakPolarHBondContact OD1-CG 3.35Å; D262-Q264 PolarHBondContact OD1-N 2.86Å; D262-D265 WeakPolarHBondContact CB-OD2 3.38Å; D262-D265 PolarHBondContact N-OD2 3.4Å; D262-D265 VanDerWaalsContact O-CB 3.22Å; D262-D265 WeakPolarHBondContact O-CB 3.46Å; D262-D265 PolarHBondContact O-N 2.67Å; D262-F266 VanDerWaalsContact O-CD2 3.27Å; D262-F266 WeakPolarHBondContact O-CD2 3.49Å; D262-F266 WeakPolarHBondContact O-CE2 3.26Å
263L81.2Confident82.2Confident157 Ų157110.8 Ų110.882%0.82254%0.538SS*.G310 helixtrans-60.7-26.7175.3-73.8165.8000111.9D265 F266L263-D265 PolarHBondContact O-N 3.27Å; L263-F266 PolarHBondContact O-N 3.04Å
264Q79.1Confident81.1Confident112 Ų112109.3 Ų109.352%0.52354%0.535SS..G310 helixtrans-65.6-23.5174.9-61.3-166.621.100113.1D262 F266 R267D262-Q264 PolarHBondContact O-N 2.92Å; D262-Q264 WeakPolarHBondContact OD1-CG 3.35Å; D262-Q264 PolarHBondContact OD1-N 2.86Å; Q264-F266 PolarHBondContact O-N 2.92Å; Q264-R267 VanDerWaalsContact CG-NH2 3.28Å
265D73.7Confident80.1Confident39 Ų39105.9 Ų105.921%0.20953%0.53CS..G310 helixtrans-74.2-8-179.9-61.8-30.1000112.9D262 L263 Q274D262-D265 WeakPolarHBondContact CB-OD2 3.38Å; D262-D265 PolarHBondContact N-OD2 3.4Å; D262-D265 VanDerWaalsContact O-CB 3.22Å; D262-D265 WeakPolarHBondContact O-CB 3.46Å; D262-D265 PolarHBondContact O-N 2.67Å; L263-D265 PolarHBondContact O-N 3.27Å; D265-Q274 HydrophobicContact CB-CG 3.91Å; D265-Q274 VanDerWaalsContact CB-NE2 3.29Å; D265-Q274 PolarHBondContact OD1-NE2 2.94Å; D265-Q274 PolarHBondContact OD2-NE2 2.9Å
266F76.3Confident79.4Confident125 Ų125110 Ų11055%0.54856%0.558SS.*G310 helixtrans-110.821-178-60.2-89.6000113.1V261 D262 L263 Q264V261-F266 HydrophobicContact CG1-CE2 3.32Å; V261-F266 HydrophobicContact CG1-CZ 3.61Å; D262-F266 VanDerWaalsContact O-CD2 3.27Å; D262-F266 WeakPolarHBondContact O-CD2 3.49Å; D262-F266 WeakPolarHBondContact O-CE2 3.26Å; L263-F266 PolarHBondContact O-N 3.04Å; Q264-F266 PolarHBondContact O-N 2.92Å
267R82.3Confident79Confident124 Ų124106.7 Ų106.747%0.46854%0.542SS..SBendtrans-75.3144.5168.3-59.8-167.1-138.1116-3.1108.6Q264 S269 S272Q264-R267 VanDerWaalsContact CG-NH2 3.28Å; R267-S269 PolarHBondContact O-N 3.48Å; R267-S272 WeakPolarHBondContact O-CB 3.43Å; R267-S272 PolarHBondContact O-OG 3.22Å; R267-S272 VanDerWaalsContact O-OG 3.09Å
268C74.4Confident78.9Confident145 Ų145101.7 Ų101.798%0.9853%0.525SS*.SBendtrans-74.256.9174.7-60.90000111.1
269S77.3Confident78.8Confident56 Ų56100.1 Ų100.139%0.39252%0.521SS..SBendtrans-120.6152.1-177.5-60.30000110.4R267 D271 S272R267-S269 PolarHBondContact O-N 3.48Å; S269-D271 WeakPolarHBondContact CB-OD1 3.32Å; S269-D271 PolarHBondContact O-N 3Å; S269-S272 WeakPolarHBondContact O-CB 3.25Å; S269-S272 PolarHBondContact O-N 2.93Å
270R75.8Confident79.1Confident245 Ų24598.5 Ų98.593%0.92551%0.506SS*.THydrogen-bonded Turntrans-61.6-27.2-177.6-169.617771.4-179.22113.2S272R270-S272 VanDerWaalsContact C-N 3.32Å
271D75.5Confident79.6Confident132 Ų13291.6 Ų91.671%0.70648%0.476SS*.THydrogen-bonded Turntrans-83.9-3177.462-25.4000113.6S269 V273S269-D271 WeakPolarHBondContact CB-OD1 3.32Å; S269-D271 PolarHBondContact O-N 3Å; D271-V273 VanDerWaalsContact C-N 3.34Å; D271-V273 PolarHBondContact O-N 3.12Å
272S72.3Confident80.4Confident16 Ų1687.6 Ų87.611%0.11245%0.452CS..  trans-92.814.9-177.2-54.90000113.6R267 S269 R270 Q274R267-S272 WeakPolarHBondContact O-CB 3.43Å; R267-S272 PolarHBondContact O-OG 3.22Å; R267-S272 VanDerWaalsContact O-OG 3.09Å; S269-S272 WeakPolarHBondContact O-CB 3.25Å; S269-S272 PolarHBondContact O-N 2.93Å; R270-S272 VanDerWaalsContact C-N 3.32Å; S272-Q274 PolarHBondContact O-N 3.22Å; S272-Q274 VanDerWaalsContact O-N 3.09Å
273V65.6Low81.2Confident123 Ų12383.8 Ų83.875%0.74543%0.431SS*.  trans-76100.1-180-177.80000109.9D271D271-V273 VanDerWaalsContact C-N 3.34Å; D271-V273 PolarHBondContact O-N 3.12Å
274Q69.4Low81.8Confident83 Ų8376.9 Ų76.939%0.38840%0.395SS..  trans-73138.6171.2-69.6-67-50.800110.8D265 S272D265-Q274 HydrophobicContact CB-CG 3.91Å; D265-Q274 VanDerWaalsContact CB-NE2 3.29Å; D265-Q274 PolarHBondContact OD1-NE2 2.94Å; D265-Q274 PolarHBondContact OD2-NE2 2.9Å; S272-Q274 PolarHBondContact O-N 3.22Å; S272-Q274 VanDerWaalsContact O-N 3.09Å
275S75.2Confident82.5Confident55 Ų5571.5 Ų71.539%0.38537%0.37SS..  trans-67.7137.3166.1-174.10000109.4R277S275-R277 PolarHBondContact O-N 2.86Å; S275-R277 VanDerWaalsContact O-N 3.09Å; S275-R277 WeakPolarHBondContact OG-CB 3.48Å; S275-R277 PolarHBondContact OG-N 3.05Å
276P80Confident83.4Confident131 Ų13172.2 Ų72.285%0.85137%0.374SS*.SBendtrans-67.8-4.9171.229.9-36000112.4
277R87.7Confident84Confident46 Ų4666.3 Ų66.317%0.17435%0.348CS..SBendtrans-76.7127.4-179.9-169167.3-177.4-177-15.4110.4S275 Y322 P323 V346 R347 P348S275-R277 PolarHBondContact O-N 2.86Å; S275-R277 VanDerWaalsContact O-N 3.09Å; S275-R277 WeakPolarHBondContact OG-CB 3.48Å; S275-R277 PolarHBondContact OG-N 3.05Å; R277-Y322 HydrophobicContact CG-CD1 3.84Å; R277-Y322 HydrophobicContact CG-CE1 4.07Å; R277-Y322 HydrophobicContact CG-CG 4.39Å; R277-P323 VanDerWaalsContact NH2-CB 3.33Å; R277-P323 PolarHBondContact NH2-O 3.37Å; R277-V346 HydrophobicContact CG-CG1 3.84Å; R277-R347 PolarHBondContact NE-O 3.01Å; R277-R347 PolarHBondContact NH1-O 3.38Å; R277-R347 PolarHBondContact NH2-O 3.45Å; R277-P348 PolarHBondContact NH1-O 2.9Å; R277-P348 VanDerWaalsContact NH1-O 3.16Å
278P90.5Very high84Confident16 Ų1664.9 Ų64.910%0.10436%0.355CS..  trans-64.2151.4176.926.7-33.4000110.9Y257 Y322 V346Y257-P278 HydrophobicContact CD1-CB 4.27Å; Y257-P278 HydrophobicContact CD1-CG 3.65Å; Y257-P278 HydrophobicContact CE1-CG 4.5Å; Y257-P278 HydrophobicContact CG-CB 4.49Å; Y257-P278 HydrophobicContact CG-CG 4.18Å; P278-Y322 HydrophobicContact CG-CD2 3.8Å; P278-Y322 HydrophobicContact CG-CE2 3.58Å; P278-V346 WeakPolarHBondContact O-CB 3.45Å; P278-V346 WeakPolarHBondContact O-CG1 3.35Å
279K90.1Very high84.3Confident92 Ų9262.9 Ų62.940%0.433%0.334SS..SBendtrans-80.1-30.8179.7-66.6179.6179.4164.20111.8R258 K260 V346R258-K279 PolarHBondContact O-N 2.89Å; R258-K279 VanDerWaalsContact O-N 3.15Å; K260-K279 PolarHBondContact O-NZ 2.81Å; K260-K279 VanDerWaalsContact O-NZ 3.1Å; K279-V346 PolarHBondContact O-N 3.44Å
280E93.5Very high84.4Confident39 Ų3960.6 Ų60.618%0.18232%0.318CS..EExtended strand (participates in β ladder)trans-145.5151.8-176.6-60.7168.8-17000111.9R258 L344R258-E280 HydrophobicContact CB-CB 4.4Å; R258-E280 IonicContact CZ-OE2 3Å; R258-E280 PolarHBondContact N-O 2.66Å; R258-E280 IonicContact NE-OE2 2.72Å; R258-E280 PolarHBondContact NE-OE2 3.23Å; R258-E280 IonicContact NH2-OE1 2.55Å; R258-E280 IonicContact NH2-OE2 3.49Å; R258-E280 PolarHBondContact NH2-OE2 3.28Å; R258-E280 PolarHBondContact O-N 3.02Å; E280-L344 CarbonylContact C-O 3.57Å; E280-L344 WeakPolarHBondContact CA-O 3.45Å
281I94.1Very high84.2Confident1 Ų158.3 Ų58.31%0.00531%0.314CS..EExtended strand (participates in β ladder)trans-114.5124.6173-56.4175.7000108.2V255 Y257 I283 V324 T343 L344 V346V255-I281 HydrophobicContact CG1-CG2 3.61Å; Y257-I281 HydrophobicContact CD1-CD1 4.45Å; Y257-I281 HydrophobicContact CD1-CG1 3.85Å; Y257-I281 HydrophobicContact CE1-CD1 3.99Å; Y257-I281 HydrophobicContact CE1-CG1 3.86Å; Y257-I281 HydrophobicContact CE1-CG2 4.34Å; I281-I283 HydrophobicContact CG2-CD1 4.17Å; I281-I283 HydrophobicContact CG2-CG1 3.8Å; I281-V324 HydrophobicContact CD1-CG1 3.72Å; I281-T343 CarbonylContact O-C 3.56Å; I281-T343 WeakPolarHBondContact O-CA 3.25Å; I281-L344 PolarHBondContact N-O 2.91Å; I281-L344 PolarHBondContact O-N 3.48Å; I281-V346 HydrophobicContact CD1-CG2 3.83Å; I281-V346 HydrophobicContact CG1-CG2 3.49Å; I281-V346 VanDerWaalsContact CG1-CG2 3.49Å
282V95.4Very high84.2Confident23 Ų2354.1 Ų54.114%0.13930%0.295CS..EExtended strand (participates in β ladder)trans-109.7115.7175.4-1760000109.3K256 T341 I342 T343K256-V282 HydrophobicContact CB-CB 4.43Å; K256-V282 PolarHBondContact N-O 3.1Å; K256-V282 PolarHBondContact O-N 3.5Å; V282-T341 HydrophobicContact CG1-CG2 3.89Å; V282-I342 CarbonylContact C-O 3.12Å; V282-I342 WeakPolarHBondContact CA-O 3.45Å; V282-T343 HydrophobicContact CG2-CG2 4.2Å
283I95.4Very high84.4Confident0 Ų055.9 Ų55.90%031%0.305CS..EExtended strand (participates in β ladder)trans-110.9118-177.1-52.5168.3000108R254 V255 I281 I285 L305 L318 L320 T341 I342 L344R254-I283 WeakPolarHBondContact O-CA 3.37Å; V255-I283 HydrophobicContact CG1-CG1 4.41Å; V255-I283 HydrophobicContact CG2-CG1 4.44Å; V255-I283 HydrophobicContact CG2-CG2 4.48Å; I281-I283 HydrophobicContact CG2-CD1 4.17Å; I281-I283 HydrophobicContact CG2-CG1 3.8Å; I283-I285 HydrophobicContact CG2-CD1 4.38Å; I283-I285 HydrophobicContact CG2-CG1 4Å; I283-L305 HydrophobicContact CD1-CD1 3.61Å; I283-L318 HydrophobicContact CD1-CD2 4.07Å; I283-L318 HydrophobicContact CG2-CD2 3.85Å; I283-L320 HydrophobicContact CD1-CD2 3.72Å; I283-T341 CarbonylContact O-C 3.58Å; I283-T341 WeakPolarHBondContact O-CA 3.31Å; I283-I342 HydrophobicContact CB-CB 4.33Å; I283-I342 PolarHBondContact N-O 3.31Å; I283-I342 PolarHBondContact O-N 3.38Å; I283-L344 HydrophobicContact CD1-CD1 4.02Å
284T95.4Very high84.9Confident11 Ų1160.8 Ų60.87%0.06731%0.31CS..EExtended strand (participates in β ladder)trans-104.4123.5172.9-47.70000108.8Y253 R254 Q339 L340Y253-T284 CarbonylContact C-O 3.5Å; Y253-T284 WeakPolarHBondContact CA-O 3.07Å; R254-T284 PolarHBondContact N-O 3.32Å; R254-T284 PolarHBondContact O-N 2.86Å; T284-Q339 HydrophobicContact CG2-CB 4.3Å; T284-L340 CarbonylContact C-O 3.57Å; T284-L340 WeakPolarHBondContact CA-O 3.46Å
285I93.7Very high85.3Confident0 Ų061 Ų610%031%0.314CS..EExtended strand (participates in β ladder)trans-115.7123.2177.9-52.5171.4000108.1P251 I283 L287 L305 L307 L316 Q339 L340 I342P251-I285 HydrophobicContact CB-CG2 3.73Å; P251-I285 HydrophobicContact CG-CG2 3.7Å; I283-I285 HydrophobicContact CG2-CD1 4.38Å; I283-I285 HydrophobicContact CG2-CG1 4Å; I285-L287 HydrophobicContact CG2-CD2 3.89Å; I285-L287 HydrophobicContact CG2-CG 3.99Å; I285-L305 HydrophobicContact CD1-CD2 4.38Å; I285-L307 HydrophobicContact CD1-CD2 3.94Å; I285-L307 HydrophobicContact CG2-CD2 4.09Å; I285-L316 HydrophobicContact CD1-CD2 3.7Å; I285-L316 HydrophobicContact CG1-CD2 4.01Å; I285-L316 HydrophobicContact CG2-CD2 4.25Å; I285-Q339 WeakPolarHBondContact O-CA 3.32Å; I285-L340 HydrophobicContact CB-CB 4.42Å; I285-L340 PolarHBondContact N-O 3.16Å; I285-L340 PolarHBondContact O-N 3.42Å; I285-I342 HydrophobicContact CD1-CD1 3.82Å
286D91.1Very high85.7Confident53 Ų5359.7 Ų59.728%0.28330%0.304SS..EExtended strand (participates in β ladder)trans-84.6114177.7-63.3-29.7000109.3P251 K252 P288 Q339P251-D286 WeakPolarHBondContact CB-O 3.33Å; K252-D286 HydrophobicContact CB-CB 4.32Å; K252-D286 PolarHBondContact O-N 3.49Å; D286-P288 WeakPolarHBondContact O-CD 3.41Å; D286-Q339 VanDerWaalsContact OD1-CG 3.31Å; D286-Q339 WeakPolarHBondContact OD1-CG 3.46Å; D286-Q339 PolarHBondContact OD1-NE2 2.86Å
287L88.9Confident86.1Confident1 Ų158.2 Ų58.21%0.00529%0.289CS..  trans-124.360.7-179.7-58.2172.4000109.9P251 I285 L289 L290 L307 Y314 F333 G338 L340P251-L287 HydrophobicContact CB-CD2 3.63Å; P251-L287 HydrophobicContact CG-CD2 4.04Å; I285-L287 HydrophobicContact CG2-CD2 3.89Å; I285-L287 HydrophobicContact CG2-CG 3.99Å; L287-L289 PolarHBondContact O-N 2.82Å; L287-L290 HydrophobicContact CB-CB 3.86Å; L287-L290 HydrophobicContact CD1-CD2 4.45Å; L287-L290 WeakPolarHBondContact O-CB 3.28Å; L287-L290 PolarHBondContact O-N 2.91Å; L287-L307 HydrophobicContact CD1-CD2 4.08Å; L287-L307 HydrophobicContact CD2-CD2 4.12Å; L287-Y314 HydrophobicContact CD2-CD1 4.36Å; L287-Y314 HydrophobicContact CD2-CD2 3.71Å; L287-Y314 HydrophobicContact CD2-CE2 4.02Å; L287-Y314 HydrophobicContact CD2-CG 3.91Å; L287-F333 HydrophobicContact CB-CE2 4.4Å; L287-F333 HydrophobicContact CD1-CE2 4.48Å; L287-G338 CarbonylContact C-O 3.57Å; L287-G338 VanDerWaalsContact CA-O 3.29Å; L287-G338 WeakPolarHBondContact CA-O 3.47Å; L287-G338 PolarHBondContact N-O 2.79Å; L287-L340 HydrophobicContact CD1-CB 3.98Å; L287-L340 HydrophobicContact CD1-CD2 4.38Å
288P82.3Confident86.3Confident95 Ų9558.6 Ų58.662%0.61729%0.294SS*.THydrogen-bonded Turntrans-64.2-25.3-171.226.7-35.7000113.6D286 L290D286-P288 WeakPolarHBondContact O-CD 3.41Å; P288-L290 VanDerWaalsContact C-N 3.32Å
289L81.2Confident86.3Confident103 Ų10362.4 Ų62.454%0.53931%0.31SS..THydrogen-bonded Turntrans-84.2-7.9179.1-59.5-177.5000112.9L287 K291 P312 Y314L287-L289 PolarHBondContact O-N 2.82Å; L289-K291 PolarHBondContact O-N 2.84Å; L289-P312 HydrophobicContact CB-CB 4.4Å; L289-P312 HydrophobicContact CB-CG 3.71Å; L289-Y314 HydrophobicContact CB-CE2 4.3Å; L289-Y314 WeakPolarHBondContact CB-OH 3.46Å; L289-Y314 WeakPolarHBondContact CD1-OH 3.31Å; L289-Y314 WeakPolarHBondContact CG-OH 3.37Å
290L79.8Confident86.3Confident8 Ų859.4 Ų59.44%0.04230%0.299CS..  trans-89.3107.8-175.9-160.6111.3000110.9L287 P288 S292 T296 S309 F333L287-L290 HydrophobicContact CB-CB 3.86Å; L287-L290 HydrophobicContact CD1-CD2 4.45Å; L287-L290 WeakPolarHBondContact O-CB 3.28Å; L287-L290 PolarHBondContact O-N 2.91Å; P288-L290 VanDerWaalsContact C-N 3.32Å; L290-S292 WeakPolarHBondContact CD2-O 3.38Å; L290-S292 WeakPolarHBondContact CG-O 3.45Å; L290-T296 HydrophobicContact CD1-CG2 3.43Å; L290-T296 VanDerWaalsContact CD1-CG2 3.43Å; L290-T296 HydrophobicContact CD2-CG2 3.78Å; L290-T296 HydrophobicContact CG-CG2 4.23Å; L290-S309 WeakPolarHBondContact CD1-OG 3.26Å; L290-F333 HydrophobicContact CB-CZ 4.31Å; L290-F333 HydrophobicContact CD2-CD2 4.49Å; L290-F333 HydrophobicContact CD2-CE1 4.21Å; L290-F333 HydrophobicContact CD2-CE2 3.83Å; L290-F333 HydrophobicContact CD2-CZ 3.66Å; L290-F333 WeakPolarHBondContact O-CZ 3.34Å
291K71.3Confident86.1Confident197 Ų19762.2 Ų62.286%0.85731%0.314SS*.SBendtrans-81.1-19.6179.3-62.3-179.4-177.6176.70113.1L289L289-K291 PolarHBondContact O-N 2.84Å
292S76.3Confident85.9Confident43 Ų4366.4 Ų66.430%0.30133%0.334SS..  trans-155.4145.4-175.7-178.50000111.4L290 R294L290-S292 WeakPolarHBondContact CD2-O 3.38Å; L290-S292 WeakPolarHBondContact CG-O 3.45Å; S292-R294 VanDerWaalsContact C-N 3.32Å; S292-R294 PolarHBondContact OG-N 2.83Å
293V75.3Confident85.7Confident53 Ų5370.5 Ų70.532%0.32135%0.349SS..G310 helixtrans-83.9-6-178.4-162.50000112.6D295 T296 F333V293-D295 PolarHBondContact O-N 2.82Å; V293-D295 VanDerWaalsContact O-N 3.12Å; V293-T296 WeakPolarHBondContact CG1-OG1 3.32Å; V293-T296 PolarHBondContact O-N 3.43Å; V293-T296 VanDerWaalsContact O-N 3.16Å; V293-T296 PolarHBondContact O-OG1 3.36Å; V293-F333 HydrophobicContact CG2-CB 3.35Å; V293-F333 HydrophobicContact CG2-CD1 3.11Å; V293-F333 HydrophobicContact CG2-CD2 4.12Å; V293-F333 HydrophobicContact CG2-CE1 3.86Å; V293-F333 HydrophobicContact CG2-CG 3.25Å
294R77.4Confident85.5Confident227 Ų22772.6 Ų72.686%0.85736%0.362SS*.G310 helixtrans-60.5-29.3-172.6-69.6-177.8-178.9179.3-0.9113.4S292S292-R294 VanDerWaalsContact C-N 3.32Å; S292-R294 PolarHBondContact OG-N 2.83Å
295D76.8Confident85.4Confident87 Ų8772 Ų7247%0.46536%0.359SS..G310 helixtrans-105.619.5-176.4-55.7-56.6000112.7V293 S309 K310V293-D295 PolarHBondContact O-N 2.82Å; V293-D295 VanDerWaalsContact O-N 3.12Å; D295-S309 WeakPolarHBondContact O-CA 3.45Å; D295-S309 PolarHBondContact O-OG 3.26Å; D295-K310 PolarHBondContact O-N 3.09Å
296T83.8Confident85.3Confident28 Ų2873.7 Ų73.717%0.17237%0.368CS..EExtended strand (participates in β ladder)trans-107.4128174.160.30000110.6L290 V293 E308L290-T296 HydrophobicContact CD1-CG2 3.43Å; L290-T296 VanDerWaalsContact CD1-CG2 3.43Å; L290-T296 HydrophobicContact CD2-CG2 3.78Å; L290-T296 HydrophobicContact CG-CG2 4.23Å; V293-T296 WeakPolarHBondContact CG1-OG1 3.32Å; V293-T296 PolarHBondContact O-N 3.43Å; V293-T296 VanDerWaalsContact O-N 3.16Å; V293-T296 PolarHBondContact O-OG1 3.36Å; T296-E308 CarbonylContact C-O 3.58Å; T296-E308 WeakPolarHBondContact CA-O 3.36Å
297N88.4Confident85.3Confident100 Ų10071.2 Ų71.254%0.53535%0.354SS..EExtended strand (participates in β ladder)trans-102.4128.4169.1-167.619.9000109.1L307 E308N297-L307 WeakPolarHBondContact O-CA 3.45Å; N297-E308 PolarHBondContact N-O 3.41Å; N297-E308 PolarHBondContact O-N 3.29Å
298L91.1Very high85.3Confident53 Ų5374.5 Ų74.528%0.27737%0.369SS..EExtended strand (participates in β ladder)trans-120.8116.4176.6176.268.5000107.9V300 L305 L307 A331 I342L298-V300 HydrophobicContact CG-CG2 4.3Å; L298-L305 HydrophobicContact CD1-CD1 4.13Å; L298-L305 HydrophobicContact CD1-CD2 3.77Å; L298-L305 HydrophobicContact CD1-CG 3.88Å; L298-L307 HydrophobicContact CB-CD1 4.26Å; L298-L307 HydrophobicContact CD1-CB 4.32Å; L298-L307 HydrophobicContact CD1-CD1 4.14Å; L298-A331 HydrophobicContact CD2-CB 4.06Å; L298-I342 HydrophobicContact CD1-CD1 3.68Å; L298-I342 HydrophobicContact CD2-CD1 3.67Å; L298-I342 HydrophobicContact CD2-CG1 4.05Å; L298-I342 HydrophobicContact CD2-CG2 4.31Å; L298-I342 HydrophobicContact CG-CD1 4.34Å
299E91.4Very high85.6Confident97 Ų9770.4 Ų70.445%0.45334%0.343SS..EExtended strand (participates in β ladder)trans-113.9126.6176.9-174.8172.2-164.800108.6L305 L306E299-L305 WeakPolarHBondContact O-CA 3.4Å; E299-L306 HydrophobicContact CB-CB 4.34Å; E299-L306 PolarHBondContact N-O 3.12Å; E299-L306 PolarHBondContact O-N 3.21Å
300V90.5Very high85.6Confident28 Ų2873.9 Ų73.917%0.1735%0.354CS..EExtended strand (participates in β ladder)trans-118.2123.7178-177.30000106.5L298 L305 V324 E326 L344L298-V300 HydrophobicContact CG-CG2 4.3Å; V300-L305 HydrophobicContact CG2-CD1 4.2Å; V300-L305 HydrophobicContact CG2-CG 4.36Å; V300-V324 HydrophobicContact CG1-CG2 3.9Å; V300-E326 WeakPolarHBondContact O-CG 3.3Å; V300-L344 HydrophobicContact CG1-CD1 3.76Å; V300-L344 HydrophobicContact CG1-CD2 3.97Å; V300-L344 HydrophobicContact CG2-CD1 4.43Å; V300-L344 HydrophobicContact CG2-CD2 4.22Å
301M88.9Confident85.3Confident99 Ų9981.2 Ų81.249%0.48839%0.388SS..EExtended strand (participates in β ladder)trans-114171169.4-53.2-177.273.400109.2K303 T304 E326M301-K303 PolarHBondContact O-N 3.46Å; M301-T304 WeakPolarHBondContact CB-OG1 3.37Å; M301-T304 PolarHBondContact N-O 3.42Å; M301-T304 PolarHBondContact O-N 3.38Å; M301-E326 VanDerWaalsContact C-OE1 3.24Å; M301-E326 WeakPolarHBondContact CA-OE1 3.33Å
302E88.6Confident85.5Confident89 Ų8973.7 Ų73.742%0.41636%0.359SS..THydrogen-bonded Turntrans-41.4-44.8-178.4-166.9-169.2151.800114.4P323 V324 E326E302-P323 HydrophobicContact CG-CB 3.79Å; E302-P323 CarbonylContact O-C 3.59Å; E302-P323 WeakPolarHBondContact O-CA 3.41Å; E302-V324 WeakPolarHBondContact O-CG2 3.24Å; E302-V324 PolarHBondContact O-N 2.92Å; E302-E326 PolarHBondContact N-OE1 2.87Å
303K91.4Very high85.9Confident109 Ų10973 Ų7347%0.47436%0.357SS..THydrogen-bonded Turntrans-130.713.3-178.6-68.6-177.8-179.5172.30114.2M301 L320M301-K303 PolarHBondContact O-N 3.46Å; K303-L320 PolarHBondContact O-N 3.42Å
304T92.2Very high86.4Confident43 Ų4370.9 Ų70.926%0.26434%0.343SS..EExtended strand (participates in β ladder)trans-144137.7-176.549.80000111M301M301-T304 WeakPolarHBondContact CB-OG1 3.37Å; M301-T304 PolarHBondContact N-O 3.42Å; M301-T304 PolarHBondContact O-N 3.38Å
305L92.7Very high87Confident0 Ų066.2 Ų66.20%033%0.325CS..EExtended strand (participates in β ladder)trans-116.8126.8172.5-178.3153.5000109.2I283 I285 L298 E299 V300 L318 I342 L344I283-L305 HydrophobicContact CD1-CD1 3.61Å; I285-L305 HydrophobicContact CD1-CD2 4.38Å; L298-L305 HydrophobicContact CD1-CD1 4.13Å; L298-L305 HydrophobicContact CD1-CD2 3.77Å; L298-L305 HydrophobicContact CD1-CG 3.88Å; E299-L305 WeakPolarHBondContact O-CA 3.4Å; V300-L305 HydrophobicContact CG2-CD1 4.2Å; V300-L305 HydrophobicContact CG2-CG 4.36Å; L305-L318 HydrophobicContact CB-CB 4.36Å; L305-L318 PolarHBondContact N-O 2.85Å; L305-L318 PolarHBondContact O-N 2.89Å; L305-I342 HydrophobicContact CD1-CD1 3.8Å; L305-I342 HydrophobicContact CD1-CG2 4.35Å; L305-I342 HydrophobicContact CD2-CD1 4.49Å; L305-L344 HydrophobicContact CD1-CD1 4.14Å
306L92.5Very high87.7Confident35 Ų3562.6 Ų62.618%0.18331%0.305CS..EExtended strand (participates in β ladder)trans-118.3120.6177.1-179.666.4000109.5E299 E308 L316 H317E299-L306 HydrophobicContact CB-CB 4.34Å; E299-L306 PolarHBondContact N-O 3.12Å; E299-L306 PolarHBondContact O-N 3.21Å; L306-E308 HydrophobicContact CD1-CG 4.24Å; L306-E308 HydrophobicContact CD2-CG 4.45Å; L306-E308 HydrophobicContact CG-CG 4.16Å; L306-L316 CarbonylContact C-O 3.59Å; L306-L316 WeakPolarHBondContact CA-O 3.41Å; L306-H317 HydrophobicContact CD1-CB 4.26Å
307L91.1Very high88.1Confident1 Ų166.9 Ų66.91%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-112.8125.4171.5178.177.1000108.6I285 L287 N297 L298 R315 L316 L340I285-L307 HydrophobicContact CD1-CD2 3.94Å; I285-L307 HydrophobicContact CG2-CD2 4.09Å; L287-L307 HydrophobicContact CD1-CD2 4.08Å; L287-L307 HydrophobicContact CD2-CD2 4.12Å; N297-L307 WeakPolarHBondContact O-CA 3.45Å; L298-L307 HydrophobicContact CB-CD1 4.26Å; L298-L307 HydrophobicContact CD1-CB 4.32Å; L298-L307 HydrophobicContact CD1-CD1 4.14Å; L307-R315 CarbonylContact O-C 3.5Å; L307-R315 VanDerWaalsContact O-CA 3.31Å; L307-R315 WeakPolarHBondContact O-CA 2.97Å; L307-L316 HydrophobicContact CB-CB 4.22Å; L307-L316 PolarHBondContact N-O 3.35Å; L307-L316 PolarHBondContact O-N 3.49Å; L307-L340 HydrophobicContact CD1-CD2 3.93Å
308E89.3Confident88.2Confident69 Ų6962.5 Ų62.532%0.32230%0.3SS..EExtended strand (participates in β ladder)trans-126.1130.5173.8-64.3-165.6153.700110.6T296 N297 L306 Y314 R315T296-E308 CarbonylContact C-O 3.58Å; T296-E308 WeakPolarHBondContact CA-O 3.36Å; N297-E308 PolarHBondContact N-O 3.41Å; N297-E308 PolarHBondContact O-N 3.29Å; L306-E308 HydrophobicContact CD1-CG 4.24Å; L306-E308 HydrophobicContact CD2-CG 4.45Å; L306-E308 HydrophobicContact CG-CG 4.16Å; E308-Y314 CarbonylContact C-O 3.52Å; E308-Y314 WeakPolarHBondContact CA-O 3.42Å; E308-R315 HydrophobicContact CG-CG 4.33Å; E308-R315 IonicContact OE1-CZ 3.04Å; E308-R315 IonicContact OE1-NE 3.4Å; E308-R315 PolarHBondContact OE1-NE 3.26Å; E308-R315 IonicContact OE1-NH1 3.04Å; E308-R315 PolarHBondContact OE1-NH1 3.1Å; E308-R315 IonicContact OE1-NH2 3.47Å; E308-R315 PolarHBondContact OE1-NH2 3.14Å
309S88.3Confident88.3Confident10 Ų1064.2 Ų64.27%0.0731%0.314CS..EExtended strand (participates in β ladder)trans-128.2144.8173.2-166.50000110.9L290 D295 P312 A313 Y314L290-S309 WeakPolarHBondContact CD1-OG 3.26Å; D295-S309 WeakPolarHBondContact O-CA 3.45Å; D295-S309 PolarHBondContact O-OG 3.26Å; S309-P312 CarbonylContact C-O 3.48Å; S309-P312 WeakPolarHBondContact CB-O 3.25Å; S309-P312 PolarHBondContact OG-O 3.19Å; S309-A313 WeakPolarHBondContact O-CA 3.33Å; S309-Y314 PolarHBondContact N-O 2.88Å; S309-Y314 PolarHBondContact O-N 2.65Å
310K79.4Confident88.3Confident176 Ų17660.2 Ų60.277%0.76530%0.296SS*.EExtended strand (participates in β ladder)trans-92.5-35.4-176.8-65.5179.9-179.4174.60113.5D295 P312D295-K310 PolarHBondContact O-N 3.09Å; K310-P312 CarbonylContact C-O 3.58Å
311Q75.3Confident88.3Confident162 Ų16262 Ų6276%0.75731%0.313SS*.THydrogen-bonded Turntrans-146.7104.8-176.6-69.1-169.9-0.800111.5
312P75.8Confident88.4Confident39 Ų3961 Ų6125%0.25331%0.305SS..THydrogen-bonded Turncis-62.5158.3-10.930.4-39.7000112.7L289 S309 K310 Y314L289-P312 HydrophobicContact CB-CB 4.4Å; L289-P312 HydrophobicContact CB-CG 3.71Å; S309-P312 CarbonylContact C-O 3.48Å; S309-P312 WeakPolarHBondContact CB-O 3.25Å; S309-P312 PolarHBondContact OG-O 3.19Å; K310-P312 CarbonylContact C-O 3.58Å; P312-Y314 HydrophobicContact CB-CD2 4.47Å; P312-Y314 HydrophobicContact CB-CE2 4.2Å; P312-Y314 HydrophobicContact CG-CD2 3.72Å; P312-Y314 HydrophobicContact CG-CE2 3.34Å; P312-Y314 PolarHBondContact O-N 2.84Å; P312-Y314 VanDerWaalsContact O-N 3.09Å
313A82.8Confident88.5Confident29 Ų2957.8 Ų57.824%0.2429%0.292CS..EExtended strand (participates in β ladder)trans-72.7102.1179.300000110.3P248 E249 S309P248-A313 CarbonylContact C-O 3.59Å; P248-A313 VanDerWaalsContact CA-O 3.3Å; P248-A313 WeakPolarHBondContact CA-O 3.24Å; P248-A313 HydrophobicContact CB-CB 4.12Å; E249-A313 PolarHBondContact N-O 3.03Å; S309-A313 WeakPolarHBondContact O-CA 3.33Å
314Y87.4Confident88.6Confident7 Ų752.6 Ų52.63%0.02727%0.269CS..EExtended strand (participates in β ladder)trans-113.8137.5172.8-76.8-63.1000110.1E249 P251 L287 L289 E308 S309 P312E249-Y314 HydrophobicContact CB-CD1 3.97Å; E249-Y314 HydrophobicContact CB-CE1 3.82Å; E249-Y314 HydrophobicContact CG-CE1 4Å; E249-Y314 WeakPolarHBondContact O-CA 3.36Å; E249-Y314 VanDerWaalsContact O-CD1 3.32Å; E249-Y314 WeakPolarHBondContact O-CD1 3.42Å; P251-Y314 HydrophobicContact CB-CD1 3.97Å; P251-Y314 HydrophobicContact CB-CE1 4.23Å; P251-Y314 HydrophobicContact CG-CD1 4.24Å; L287-Y314 HydrophobicContact CD2-CD1 4.36Å; L287-Y314 HydrophobicContact CD2-CD2 3.71Å; L287-Y314 HydrophobicContact CD2-CE2 4.02Å; L287-Y314 HydrophobicContact CD2-CG 3.91Å; L289-Y314 HydrophobicContact CB-CE2 4.3Å; L289-Y314 WeakPolarHBondContact CB-OH 3.46Å; L289-Y314 WeakPolarHBondContact CD1-OH 3.31Å; L289-Y314 WeakPolarHBondContact CG-OH 3.37Å; E308-Y314 CarbonylContact C-O 3.52Å; E308-Y314 WeakPolarHBondContact CA-O 3.42Å; S309-Y314 PolarHBondContact N-O 2.88Å; S309-Y314 PolarHBondContact O-N 2.65Å; P312-Y314 HydrophobicContact CB-CD2 4.47Å; P312-Y314 HydrophobicContact CB-CE2 4.2Å; P312-Y314 HydrophobicContact CG-CD2 3.72Å; P312-Y314 HydrophobicContact CG-CE2 3.34Å; P312-Y314 PolarHBondContact O-N 2.84Å; P312-Y314 VanDerWaalsContact O-N 3.09Å
315R89.8Confident88.5Confident130 Ų13052.7 Ų52.749%0.49127%0.268SS..EExtended strand (participates in β ladder)trans-137.9120.5170-174168.8179.4148.32.7110.2P248 E249 L307 E308P248-R315 HydrophobicContact CB-CB 3.76Å; P248-R315 HydrophobicContact CG-CB 3.86Å; E249-R315 PolarHBondContact O-N 3.36Å; L307-R315 CarbonylContact O-C 3.5Å; L307-R315 VanDerWaalsContact O-CA 3.31Å; L307-R315 WeakPolarHBondContact O-CA 2.97Å; E308-R315 HydrophobicContact CG-CG 4.33Å; E308-R315 IonicContact OE1-CZ 3.04Å; E308-R315 IonicContact OE1-NE 3.4Å; E308-R315 PolarHBondContact OE1-NE 3.26Å; E308-R315 IonicContact OE1-NH1 3.04Å; E308-R315 PolarHBondContact OE1-NH1 3.1Å; E308-R315 IonicContact OE1-NH2 3.47Å; E308-R315 PolarHBondContact OE1-NH2 3.14Å
316L90.1Very high88.3Confident10 Ų1056.8 Ų56.85%0.05229%0.287CS..EExtended strand (participates in β ladder)trans-126.1121174.8-179.868000109.4P251 Y253 I285 L306 L307 L318P251-L316 HydrophobicContact CG-CB 3.9Å; P251-L316 HydrophobicContact CG-CD2 4.36Å; Y253-L316 HydrophobicContact CD1-CD1 3.65Å; Y253-L316 HydrophobicContact CD1-CD2 4.08Å; Y253-L316 HydrophobicContact CE1-CD1 3.74Å; Y253-L316 HydrophobicContact CG-CD2 4.23Å; I285-L316 HydrophobicContact CD1-CD2 3.7Å; I285-L316 HydrophobicContact CG1-CD2 4.01Å; I285-L316 HydrophobicContact CG2-CD2 4.25Å; L306-L316 CarbonylContact C-O 3.59Å; L306-L316 WeakPolarHBondContact CA-O 3.41Å; L307-L316 HydrophobicContact CB-CB 4.22Å; L307-L316 PolarHBondContact N-O 3.35Å; L307-L316 PolarHBondContact O-N 3.49Å; L316-L318 HydrophobicContact CG-CB 4.44Å
317H92.3Very high88.1Confident118 Ų11862 Ų6255%0.54632%0.315SS..EExtended strand (participates in β ladder)trans-109.8116167.6174.7-87.2000108.1L306L306-H317 HydrophobicContact CD1-CB 4.26Å
318L91.2Very high88Confident8 Ų868.4 Ų68.44%0.04235%0.345CS..EExtended strand (participates in β ladder)trans-122.6110.3-174.2179.663.3000110.3Y253 V255 I283 L305 L316 L320Y253-L318 HydrophobicContact CD2-CD1 4.14Å; Y253-L318 HydrophobicContact CD2-CD2 4.22Å; Y253-L318 HydrophobicContact CE2-CD1 3.41Å; Y253-L318 VanDerWaalsContact CE2-CD1 3.41Å; Y253-L318 HydrophobicContact CE2-CD2 4.31Å; Y253-L318 HydrophobicContact CE2-CG 4.49Å; V255-L318 HydrophobicContact CG2-CD2 3.93Å; I283-L318 HydrophobicContact CD1-CD2 4.07Å; I283-L318 HydrophobicContact CG2-CD2 3.85Å; L305-L318 HydrophobicContact CB-CB 4.36Å; L305-L318 PolarHBondContact N-O 2.85Å; L305-L318 PolarHBondContact O-N 2.89Å; L316-L318 HydrophobicContact CG-CB 4.44Å; L318-L320 HydrophobicContact CD2-CD2 4.32Å; L318-L320 HydrophobicContact CG-CD2 4.32Å
319P92.3Very high88Confident89 Ų8966.9 Ų66.958%0.57835%0.348SS*.EExtended strand (participates in β ladder)trans-71.8135.1169.829.4-33000110.7
320L91.6Very high88.2Confident13 Ų1371 Ų717%0.06837%0.366CS..  trans-99.2137.8179-53.9178.3000109.8I283 K303 L318 Y322 V324 L344I283-L320 HydrophobicContact CD1-CD2 3.72Å; K303-L320 PolarHBondContact O-N 3.42Å; L318-L320 HydrophobicContact CD2-CD2 4.32Å; L318-L320 HydrophobicContact CG-CD2 4.32Å; L320-Y322 VanDerWaalsContact C-N 3.28Å; L320-Y322 PolarHBondContact O-N 3.07Å; L320-V324 HydrophobicContact CD1-CB 4.43Å; L320-V324 HydrophobicContact CD1-CG1 3.83Å; L320-V324 HydrophobicContact CD1-CG2 3.69Å; L320-L344 HydrophobicContact CD1-CD1 4.04Å
321A90.7Very high88.8Confident65 Ų6565.2 Ų65.254%0.53735%0.351SS..SBendtrans-70.1-25-178.100000113.4
322Y91.5Very high89.6Confident78 Ų7863.2 Ų63.231%0.30634%0.34SS..SBendtrans-127.2146.4-177.5-56.7-77.5000111.1Y257 R277 P278 L320 V324 V346Y257-Y322 HydrophobicContact CD1-CD2 4.34Å; Y257-Y322 HydrophobicContact CD1-CE2 4.22Å; Y257-Y322 AromaticContact CE1-CD2 3.9Å; Y257-Y322 HydrophobicContact CE1-CD2 3.9Å; Y257-Y322 AromaticContact CE1-CE2 3.9Å; Y257-Y322 HydrophobicContact CE1-CE2 3.9Å; R277-Y322 HydrophobicContact CG-CD1 3.84Å; R277-Y322 HydrophobicContact CG-CE1 4.07Å; R277-Y322 HydrophobicContact CG-CG 4.39Å; P278-Y322 HydrophobicContact CG-CD2 3.8Å; P278-Y322 HydrophobicContact CG-CE2 3.58Å; L320-Y322 VanDerWaalsContact C-N 3.28Å; L320-Y322 PolarHBondContact O-N 3.07Å; Y322-V324 PolarHBondContact O-N 3.29Å; Y322-V346 HydrophobicContact CG-CG1 4.2Å
323P91.8Very high90.4Very high22 Ų2263.2 Ų63.214%0.14334%0.336CS..  trans-53.4123.9166.5-16.917.9000111.4R277 E302 R347R277-P323 VanDerWaalsContact NH2-CB 3.33Å; R277-P323 PolarHBondContact NH2-O 3.37Å; E302-P323 HydrophobicContact CG-CB 3.79Å; E302-P323 CarbonylContact O-C 3.59Å; E302-P323 WeakPolarHBondContact O-CA 3.41Å; P323-R347 HydrophobicContact CB-CB 4.32Å; P323-R347 PolarHBondContact O-N 3.49Å
324V92.1Very high90.7Very high0 Ų065.2 Ų65.20%034%0.343CS..BIsolated β-bridgetrans-104158.1174.3-64.10000111.4I281 V300 E302 L320 Y322 L344 P345 R347I281-V324 HydrophobicContact CD1-CG1 3.72Å; V300-V324 HydrophobicContact CG1-CG2 3.9Å; E302-V324 WeakPolarHBondContact O-CG2 3.24Å; E302-V324 PolarHBondContact O-N 2.92Å; L320-V324 HydrophobicContact CD1-CB 4.43Å; L320-V324 HydrophobicContact CD1-CG1 3.83Å; L320-V324 HydrophobicContact CD1-CG2 3.69Å; Y322-V324 PolarHBondContact O-N 3.29Å; V324-L344 HydrophobicContact CB-CB 4.14Å; V324-L344 HydrophobicContact CG1-CB 3.94Å; V324-L344 HydrophobicContact CG1-CD1 4.44Å; V324-L344 HydrophobicContact CG2-CD1 4.31Å; V324-P345 CarbonylContact C-O 3.56Å; V324-P345 VanDerWaalsContact CA-O 3.27Å; V324-P345 WeakPolarHBondContact CA-O 3.43Å; V324-P345 WeakPolarHBondContact CB-O 3.33Å; V324-R347 PolarHBondContact O-NE 3.24Å
325D91.2Very high90.6Very high45 Ų4572 Ų7224%0.24137%0.373CS..  trans-91.9115.6169.8-171.14.1000109.9D327 P345 R347D325-D327 PolarHBondContact OD1-N 3.07Å; D325-P345 HydrophobicContact CB-CG 4.21Å; D325-P345 PolarHBondContact N-O 2.91Å; D325-R347 HydrophobicContact CB-CG 4.21Å; D325-R347 IonicContact OD1-NH2 3.91Å
326E88.7Confident90.3Very high86 Ų8676.8 Ų76.840%0.40239%0.392SS..SBendtrans-69.8-34-173.3-61.1169.8-159.600111.4V300 M301 E302V300-E326 WeakPolarHBondContact O-CG 3.3Å; M301-E326 VanDerWaalsContact C-OE1 3.24Å; M301-E326 WeakPolarHBondContact CA-OE1 3.33Å; E302-E326 PolarHBondContact N-OE1 2.87Å
327D88.4Confident90.1Very high144 Ų14479.8 Ų79.877%0.7741%0.411SS*.THydrogen-bonded Turntrans-79.7-22-172.4-66.5-42.9000113.4D325D325-D327 PolarHBondContact OD1-N 3.07Å
328Q88.8Confident89.8Confident137 Ų13774.4 Ų74.464%0.6439%0.388SS*.THydrogen-bonded Turntrans-105.515.1-175.8-64.8-63.8-44.700112.9P345Q328-P345 HydrophobicContact CB-CG 3.49Å; Q328-P345 VanDerWaalsContact CB-CG 3.49Å; Q328-P345 WeakPolarHBondContact O-CD 3.39Å
329G88.5Confident89.8Confident37 Ų3776.9 Ų76.938%0.38140%0.399SS..  trans-75.3141.2177.500000113.7T343G329-T343 CarbonylContact C-O 3.5Å; G329-T343 WeakPolarHBondContact CA-O 3.32Å
330E92.4Very high89.9Confident95 Ų9573 Ų7344%0.44437%0.373SS..EExtended strand (participates in β ladder)trans-116.1130.3172.7-172.9-177.2-147.400110.9K332 I342 T343E330-K332 VanDerWaalsContact CD-CE 3.42Å; E330-K332 HydrophobicContact CG-CG 4.5Å; E330-K332 WeakPolarHBondContact OE1-CE 3.42Å; E330-K332 IonicContact OE1-NZ 2.66Å; E330-K332 PolarHBondContact OE1-NZ 2.89Å; E330-K332 IonicContact OE2-NZ 2.77Å; E330-K332 PolarHBondContact OE2-NZ 3.34Å; E330-I342 CarbonylContact O-C 3.52Å; E330-I342 WeakPolarHBondContact O-CA 3.34Å; E330-T343 PolarHBondContact N-O 3Å; E330-T343 PolarHBondContact O-N 3.07Å
331A92.6Very high90Very high56 Ų5674.6 Ų74.646%0.46338%0.384SS..EExtended strand (participates in β ladder)trans-122.4128.8174.900000111.9L298 L340 T341 I342L298-A331 HydrophobicContact CD2-CB 4.06Å; A331-L340 HydrophobicContact CB-CD1 4.47Å; A331-T341 CarbonylContact C-O 3.54Å; A331-T341 WeakPolarHBondContact CA-O 3.29Å; A331-I342 HydrophobicContact CB-CG1 4.35Å
332K92.4Very high90.2Very high120 Ų12071.6 Ų71.652%0.52236%0.358SS..EExtended strand (participates in β ladder)trans-127.8122-178.6-73.8173.2171.2143.10110.5E330 T341E330-K332 VanDerWaalsContact CD-CE 3.42Å; E330-K332 HydrophobicContact CG-CG 4.5Å; E330-K332 WeakPolarHBondContact OE1-CE 3.42Å; E330-K332 IonicContact OE1-NZ 2.66Å; E330-K332 PolarHBondContact OE1-NZ 2.89Å; E330-K332 IonicContact OE2-NZ 2.77Å; E330-K332 PolarHBondContact OE2-NZ 3.34Å; K332-T341 PolarHBondContact N-O 2.91Å; K332-T341 PolarHBondContact O-N 3.18Å
333F91.4Very high90.4Very high39 Ų3969.1 Ų69.117%0.17135%0.352CS..EExtended strand (participates in β ladder)trans-102.1123.5173.7-176.8-108.7000111.6L287 L290 V293 K335 Q339 L340L287-F333 HydrophobicContact CB-CE2 4.4Å; L287-F333 HydrophobicContact CD1-CE2 4.48Å; L290-F333 HydrophobicContact CB-CZ 4.31Å; L290-F333 HydrophobicContact CD2-CD2 4.49Å; L290-F333 HydrophobicContact CD2-CE1 4.21Å; L290-F333 HydrophobicContact CD2-CE2 3.83Å; L290-F333 HydrophobicContact CD2-CZ 3.66Å; L290-F333 WeakPolarHBondContact O-CZ 3.34Å; V293-F333 HydrophobicContact CG2-CB 3.35Å; V293-F333 HydrophobicContact CG2-CD1 3.11Å; V293-F333 HydrophobicContact CG2-CD2 4.12Å; V293-F333 HydrophobicContact CG2-CE1 3.86Å; V293-F333 HydrophobicContact CG2-CG 3.25Å; F333-K335 HydrophobicContact CD1-CG 3.85Å; F333-K335 HydrophobicContact CE1-CB 4.32Å; F333-K335 HydrophobicContact CE1-CG 3.81Å; F333-Q339 WeakPolarHBondContact CA-O 3.23Å; F333-Q339 WeakPolarHBondContact CD2-O 3.41Å; F333-L340 HydrophobicContact CB-CD1 4.06Å; F333-L340 HydrophobicContact CD2-CB 4.08Å; F333-L340 HydrophobicContact CD2-CD1 4.47Å
334N89.4Confident90.5Very high70 Ų7068.2 Ų68.237%0.37435%0.345SS..EExtended strand (participates in β ladder)trans-95.7110.2172.6-173.7-20.4000110Y336 T337 G338 Q339N334-Y336 VanDerWaalsContact C-N 3.3Å; N334-Y336 PolarHBondContact O-N 3.34Å; N334-Y336 WeakPolarHBondContact OD1-CB 3.48Å; N334-Y336 PolarHBondContact OD1-N 2.92Å; N334-T337 WeakPolarHBondContact CB-OG1 3.49Å; N334-T337 VanDerWaalsContact CG-OG1 3.27Å; N334-T337 PolarHBondContact OD1-N 3.33Å; N334-G338 WeakPolarHBondContact O-CA 3.47Å; N334-G338 PolarHBondContact O-N 3.46Å; N334-Q339 PolarHBondContact N-O 3Å; N334-Q339 PolarHBondContact O-N 3.19Å
335K84.9Confident90.6Very high151 Ų15169.8 Ų69.866%0.65736%0.356SS*.THydrogen-bonded Turntrans-66.1-28.3-179.7-62.8-179-1791790113.7F333F333-K335 HydrophobicContact CD1-CG 3.85Å; F333-K335 HydrophobicContact CE1-CB 4.32Å; F333-K335 HydrophobicContact CE1-CG 3.81Å
336Y84.6Confident90.7Very high229 Ų22968.4 Ų68.490%0.89835%0.349SS*.THydrogen-bonded Turntrans-77.4-38.6-177.6-59.6-77.1000111.7N334N334-Y336 VanDerWaalsContact C-N 3.3Å; N334-Y336 PolarHBondContact O-N 3.34Å; N334-Y336 WeakPolarHBondContact OD1-CB 3.48Å; N334-Y336 PolarHBondContact OD1-N 2.92Å
337T84.9Confident90.8Very high74 Ų7469 Ų6945%0.45435%0.347SS..THydrogen-bonded Turntrans-93-13.2178.461.30000112.9N334 Q339N334-T337 WeakPolarHBondContact CB-OG1 3.49Å; N334-T337 VanDerWaalsContact CG-OG1 3.27Å; N334-T337 PolarHBondContact OD1-N 3.33Å; T337-Q339 VanDerWaalsContact C-N 3.33Å
338G87.1Confident90.6Very high5 Ų567.1 Ų67.15%0.05234%0.343CS..THydrogen-bonded Turntrans64.836.1-174.300000112.2L287 N334L287-G338 CarbonylContact C-O 3.57Å; L287-G338 VanDerWaalsContact CA-O 3.29Å; L287-G338 WeakPolarHBondContact CA-O 3.47Å; L287-G338 PolarHBondContact N-O 2.79Å; N334-G338 WeakPolarHBondContact O-CA 3.47Å; N334-G338 PolarHBondContact O-N 3.46Å
339Q91.6Very high90.2Very high59 Ų5963.8 Ų63.828%0.27633%0.334SS..EExtended strand (participates in β ladder)trans-119131.5-175.2-67.9-176.8-26.900112.1T284 I285 D286 F333 N334 T337T284-Q339 HydrophobicContact CG2-CB 4.3Å; I285-Q339 WeakPolarHBondContact O-CA 3.32Å; D286-Q339 VanDerWaalsContact OD1-CG 3.31Å; D286-Q339 WeakPolarHBondContact OD1-CG 3.46Å; D286-Q339 PolarHBondContact OD1-NE2 2.86Å; F333-Q339 WeakPolarHBondContact CA-O 3.23Å; F333-Q339 WeakPolarHBondContact CD2-O 3.41Å; N334-Q339 PolarHBondContact N-O 3Å; N334-Q339 PolarHBondContact O-N 3.19Å; T337-Q339 VanDerWaalsContact C-N 3.33Å
340L92.5Very high89.4Confident8 Ų867.5 Ų67.54%0.04234%0.344CS..EExtended strand (participates in β ladder)trans-97.2118.4169.9-178.463.4000109T284 I285 L287 L307 A331 F333 I342T284-L340 CarbonylContact C-O 3.57Å; T284-L340 WeakPolarHBondContact CA-O 3.46Å; I285-L340 HydrophobicContact CB-CB 4.42Å; I285-L340 PolarHBondContact N-O 3.16Å; I285-L340 PolarHBondContact O-N 3.42Å; L287-L340 HydrophobicContact CD1-CB 3.98Å; L287-L340 HydrophobicContact CD1-CD2 4.38Å; L307-L340 HydrophobicContact CD1-CD2 3.93Å; A331-L340 HydrophobicContact CB-CD1 4.47Å; F333-L340 HydrophobicContact CB-CD1 4.06Å; F333-L340 HydrophobicContact CD2-CB 4.08Å; F333-L340 HydrophobicContact CD2-CD1 4.47Å; L340-I342 HydrophobicContact CD2-CD1 4.01Å; L340-I342 HydrophobicContact CD2-CG1 4.27Å; L340-I342 HydrophobicContact CG-CD1 4.22Å; L340-I342 HydrophobicContact CG-CG1 3.97Å
341T94.4Very high87.8Confident46 Ų4671.2 Ų71.228%0.28236%0.362SS..EExtended strand (participates in β ladder)trans-108121.9176-56.80000109.5V282 I283 A331 K332V282-T341 HydrophobicContact CG1-CG2 3.89Å; I283-T341 CarbonylContact O-C 3.58Å; I283-T341 WeakPolarHBondContact O-CA 3.31Å; A331-T341 CarbonylContact C-O 3.54Å; A331-T341 WeakPolarHBondContact CA-O 3.29Å; K332-T341 PolarHBondContact N-O 2.91Å; K332-T341 PolarHBondContact O-N 3.18Å
342I94.9Very high85.9Confident2 Ų272.2 Ų72.21%0.0137%0.365CS..EExtended strand (participates in β ladder)trans-117.9126.6-176.7-49.9167.5000107.2V282 I283 I285 L298 L305 E330 A331 L340 L344V282-I342 CarbonylContact C-O 3.12Å; V282-I342 WeakPolarHBondContact CA-O 3.45Å; I283-I342 HydrophobicContact CB-CB 4.33Å; I283-I342 PolarHBondContact N-O 3.31Å; I283-I342 PolarHBondContact O-N 3.38Å; I285-I342 HydrophobicContact CD1-CD1 3.82Å; L298-I342 HydrophobicContact CD1-CD1 3.68Å; L298-I342 HydrophobicContact CD2-CD1 3.67Å; L298-I342 HydrophobicContact CD2-CG1 4.05Å; L298-I342 HydrophobicContact CD2-CG2 4.31Å; L298-I342 HydrophobicContact CG-CD1 4.34Å; L305-I342 HydrophobicContact CD1-CD1 3.8Å; L305-I342 HydrophobicContact CD1-CG2 4.35Å; L305-I342 HydrophobicContact CD2-CD1 4.49Å; E330-I342 CarbonylContact O-C 3.52Å; E330-I342 WeakPolarHBondContact O-CA 3.34Å; A331-I342 HydrophobicContact CB-CG1 4.35Å; L340-I342 HydrophobicContact CD2-CD1 4.01Å; L340-I342 HydrophobicContact CD2-CG1 4.27Å; L340-I342 HydrophobicContact CG-CD1 4.22Å; L340-I342 HydrophobicContact CG-CG1 3.97Å; I342-L344 HydrophobicContact CG2-CD1 4.3Å; I342-L344 HydrophobicContact CG2-CD2 3.88Å; I342-L344 HydrophobicContact CG2-CG 3.9Å
343T95.3Very high83.7Confident27 Ų2773.2 Ų73.217%0.16638%0.376CS..EExtended strand (participates in β ladder)trans-115.7116.3178.5-540000107.8I281 V282 G329 E330I281-T343 CarbonylContact O-C 3.56Å; I281-T343 WeakPolarHBondContact O-CA 3.25Å; V282-T343 HydrophobicContact CG2-CG2 4.2Å; G329-T343 CarbonylContact C-O 3.5Å; G329-T343 WeakPolarHBondContact CA-O 3.32Å; E330-T343 PolarHBondContact N-O 3Å; E330-T343 PolarHBondContact O-N 3.07Å
344L94.9Very high81.5Confident2 Ų279.6 Ų79.61%0.0141%0.406CS..EExtended strand (participates in β ladder)trans-119.5121.6-176.3-60.6175.6000109.6E280 I281 I283 V300 L305 L320 V324 I342E280-L344 CarbonylContact C-O 3.57Å; E280-L344 WeakPolarHBondContact CA-O 3.45Å; I281-L344 PolarHBondContact N-O 2.91Å; I281-L344 PolarHBondContact O-N 3.48Å; I283-L344 HydrophobicContact CD1-CD1 4.02Å; V300-L344 HydrophobicContact CG1-CD1 3.76Å; V300-L344 HydrophobicContact CG1-CD2 3.97Å; V300-L344 HydrophobicContact CG2-CD1 4.43Å; V300-L344 HydrophobicContact CG2-CD2 4.22Å; L305-L344 HydrophobicContact CD1-CD1 4.14Å; L320-L344 HydrophobicContact CD1-CD1 4.04Å; V324-L344 HydrophobicContact CB-CB 4.14Å; V324-L344 HydrophobicContact CG1-CB 3.94Å; V324-L344 HydrophobicContact CG1-CD1 4.44Å; V324-L344 HydrophobicContact CG2-CD1 4.31Å; I342-L344 HydrophobicContact CG2-CD1 4.3Å; I342-L344 HydrophobicContact CG2-CD2 3.88Å; I342-L344 HydrophobicContact CG2-CG 3.9Å
345P94.3Very high79.1Confident33 Ų3385.1 Ų85.121%0.21443%0.429CS..EExtended strand (participates in β ladder)trans-69.6140.817320.8-21000110.9V324 D325 Q328V324-P345 CarbonylContact C-O 3.56Å; V324-P345 VanDerWaalsContact CA-O 3.27Å; V324-P345 WeakPolarHBondContact CA-O 3.43Å; V324-P345 WeakPolarHBondContact CB-O 3.33Å; D325-P345 HydrophobicContact CB-CG 4.21Å; D325-P345 PolarHBondContact N-O 2.91Å; Q328-P345 HydrophobicContact CB-CG 3.49Å; Q328-P345 VanDerWaalsContact CB-CG 3.49Å; Q328-P345 WeakPolarHBondContact O-CD 3.39Å
346V93.7Very high77.1Confident16 Ų1683 Ų8310%0.09743%0.434CS..BIsolated β-bridgetrans-92.8130.3179.9178.80000108.6R277 P278 K279 I281 Y322R277-V346 HydrophobicContact CG-CG1 3.84Å; P278-V346 WeakPolarHBondContact O-CB 3.45Å; P278-V346 WeakPolarHBondContact O-CG1 3.35Å; K279-V346 PolarHBondContact O-N 3.44Å; I281-V346 HydrophobicContact CD1-CG2 3.83Å; I281-V346 HydrophobicContact CG1-CG2 3.49Å; I281-V346 VanDerWaalsContact CG1-CG2 3.49Å; Y322-V346 HydrophobicContact CG-CG1 4.2Å
347R90.4Very high74.7Confident98 Ų9879 Ų7937%0.3743%0.433SS..PPolyproline II helixtrans-62.4146.3175.9-66.4-176.2172169.71.5110.3R277 P323 V324 D325R277-R347 PolarHBondContact NE-O 3.01Å; R277-R347 PolarHBondContact NH1-O 3.38Å; R277-R347 PolarHBondContact NH2-O 3.45Å; P323-R347 HydrophobicContact CB-CB 4.32Å; P323-R347 PolarHBondContact O-N 3.49Å; V324-R347 PolarHBondContact O-NE 3.24Å; D325-R347 HydrophobicContact CB-CG 4.21Å; D325-R347 IonicContact OD1-NH2 3.91Å
348P84.1Confident72.3Confident106 Ų10678.6 Ų78.669%0.68844%0.443SS*.PPolyproline II helixtrans-62.4161.9170.924.9-31.7000111.3R277R277-P348 PolarHBondContact NH1-O 2.9Å; R277-P348 VanDerWaalsContact NH1-O 3.16Å
349P79.4Confident69.6Low67 Ų6784.2 Ų84.244%0.43548%0.481SS..PPolyproline II helixtrans-55.1141.1165.6-14.627.7000109.7E351P349-E351 PolarHBondContact O-N 2.68Å
350D72.3Confident66.6Low114 Ų11486.8 Ų86.861%0.6151%0.505SS*.  trans-71.8114.2175.4-163.8-24000108.6S352 L353D350-S352 PolarHBondContact O-N 3.49Å; D350-S352 VanDerWaalsContact O-N 3.13Å; D350-S352 WeakPolarHBondContact OD1-CB 3.4Å; D350-S352 PolarHBondContact OD1-N 2.82Å; D350-S352 PolarHBondContact OD1-OG 3.19Å; D350-S352 PolarHBondContact OD2-OG 2.98Å; D350-L353 PolarHBondContact O-N 3.44Å
351E59.1Low63.8Low174 Ų17492.3 Ų92.381%0.81354%0.541SS*.G310 helixtrans-66.6-9.4-178.7-67.1-167.6161.600112.9P349 L353 H354P349-E351 PolarHBondContact O-N 2.68Å; E351-L353 PolarHBondContact O-N 2.9Å; E351-L353 VanDerWaalsContact O-N 3.16Å; E351-H354 PolarHBondContact O-N 2.92Å
352S51.8Low60.9Low76 Ų7698 Ų9853%0.53157%0.569SS.*G310 helixtrans-66.8-11.6177.759.80000114.5D350D350-S352 PolarHBondContact O-N 3.49Å; D350-S352 VanDerWaalsContact O-N 3.13Å; D350-S352 WeakPolarHBondContact OD1-CB 3.4Å; D350-S352 PolarHBondContact OD1-N 2.82Å; D350-S352 PolarHBondContact OD1-OG 3.19Å; D350-S352 PolarHBondContact OD2-OG 2.98Å
353L46.3Very low58Low141 Ų141104.3 Ų104.374%0.73861%0.607SS**G310 helixtrans-94.43.9177.2-65.9175.4000114.5D350 E351D350-L353 PolarHBondContact O-N 3.44Å; E351-L353 PolarHBondContact O-N 2.9Å; E351-L353 VanDerWaalsContact O-N 3.16Å
354H46.1Very low55Low174 Ų174107.9 Ų107.981%0.80663%0.633SS**SBendtrans-97.627.2176.4-82.8-106.9000113.9E351E351-H354 PolarHBondContact O-N 2.92Å
355Q39.8Very low51.9Low186 Ų186114.1 Ų114.187%0.86967%0.667SS**SBendtrans-122.446.6173.9-93.7175.6-6.800112.3
356S41.3Very low48.7Very low107 Ų107120.5 Ų120.575%0.74869%0.691SS**  trans-156.734.9168.482.80000116
357V35Very low45.7Very low144 Ų144127.4 Ų127.487%0.87372%0.723SS**SBendtrans-125104.9162.1-147.20000107.2
358G34.2Very low42.7Very low65 Ų65126.4 Ų126.467%0.6774%0.742SS**  trans-58143.5-172.200000112.2C360G358-C360 PolarHBondContact O-N 3.49Å
359S30.8Very low40.1Very low123 Ų123128.9 Ų128.986%0.8675%0.745SS**  trans-49.1110.3164.6-43.30000109.2
360C28.9Very low37.6Very low113 Ų113132.3 Ų132.376%0.76476%0.76SS**PPolyproline II helixtrans-66.1126.7164.7-71.60000108G358 L362G358-C360 PolarHBondContact O-N 3.49Å; C360-L362 PolarHBondContact O-N 2.96Å
361P33.2Very low35.6Very low124 Ų124134.8 Ų134.881%0.80577%0.767SS**PPolyproline II helixtrans-68.1118175.1-1125.5000108.7V363P361-V363 PolarHBondContact O-N 3.19Å
362L33Very low34.2Very low167 Ų167132.2 Ų132.287%0.87476%0.764SS**PPolyproline II helixtrans-74.9120.6164.5-71177.3000107.9C360 S364C360-L362 PolarHBondContact O-N 2.96Å; L362-S364 PolarHBondContact O-N 3.03Å
363V33.5Very low33Very low133 Ų133137.4 Ų137.481%0.80678%0.779SS**PPolyproline II helixtrans-57.6117.1172.7-174.50000108.2P361P361-V363 PolarHBondContact O-N 3.19Å
364S32.5Very low32.2Very low103 Ų103139.1 Ų139.172%0.7278%0.784SS**PPolyproline II helixtrans-87.8121167.742.40000109.1L362L362-S364 PolarHBondContact O-N 3.03Å
365D29.9Very low31.3Very low133 Ų133140.2 Ų140.271%0.71179%0.789SS**  trans-127.4110.7156-85.1-30.4000109
366F27.7Very low30.6Very low166 Ų166140 Ų14073%0.72879%0.788SS**  trans47.7138133.8-67.4-80000119.8
367Q30Very low29.8Very low162 Ų162138.2 Ų138.276%0.75779%0.787SS**  cis-172.6149.27.7-142.9158.412.200107.1
368G27.6Very low29.4Very low76 Ų76139.3 Ų139.378%0.78478%0.783SS**  trans171.257.1173.900000114
369E29.2Very low29.2Very low158 Ų158145.2 Ų145.274%0.73879%0.79SS**  trans26.8134.7148.8-68.4172.6179.900122.4
370D28.7Very low29.3Very low140 Ų140142.5 Ų142.575%0.74978%0.781SS**  trans78.9137.7147.2-57.5-14.6000119.7
371E28.9Very low29.3Very low165 Ų165144.2 Ų144.277%0.77178%0.781SS**  cis-178.1132.3-25.5-128.3-164.5-171.500103.9
372V29.2Very low29.2Very low121 Ų121144.3 Ų144.373%0.73378%0.784SS**  trans54.5139.2151.9-1250000118.5
373E28.5Very low29.3Very low184 Ų184145 Ų14586%0.8678%0.782SS**  cis-156.4158.140.2-78.2-178.5154.500113.2
374E28.3Very low29.4Very low178 Ų178146.7 Ų146.783%0.83278%0.779SS**  trans-64.3150.4170.8-59.1-179.7140.800112.9
375E27.3Very low29.4Very low196 Ų196147.3 Ų147.392%0.91678%0.778SS**  -162.4154.4120.8-114.4-168.2-173.500113.8
376Q25.3Very low29.6Very low181 Ų181150 Ų15085%0.84678%0.784SS**  trans-82.8165.6-170.1-58.9167.10.900112.2
377G24.9Very low30Very low71 Ų71149.3 Ų149.373%0.73278%0.783SS**  trans124.291.2142.600000118.4
378E27Very low30.2Very low167 Ų167149 Ų14978%0.7878%0.782SS**  trans58.7119.6132.7-65-158.7118.900123.1
379K29.4Very low30.7Very low189 Ų189151 Ų15182%0.82278%0.778SS**  43.8106.8129.2-67.3175.6-178.2157.70118.1
380G32.8Very low31Very low66 Ų66151 Ų15168%0.6878%0.778SS**  trans160.1135.8147.400000111.8
381I29.5Very low31.1Very low148 Ų148153.3 Ų153.376%0.75978%0.776SS**  trans92.471.2169.4-43.1158.5000114.5K384I381-K384 HydrophobicContact CG2-CB 4.39Å
382C30.8Very low31.5Very low127 Ų127151.6 Ų151.686%0.85877%0.772SS**  trans-119.156.2142.6-165.70000108.9
383E35.3Very low31.8Very low181 Ų181153.7 Ų153.785%0.84677%0.774SS**  trans-125.622.5172-99.2-169.916400111.8
384K34.3Very low32.1Very low169 Ų169152.7 Ų152.774%0.73577%0.769SS**SBendtrans-120.73.8-178.6-95.1-174.4176.1-1790117.7I381I381-K384 HydrophobicContact CG2-CB 4.39Å
385T33.6Very low32.3Very low116 Ų116152.4 Ų152.471%0.71277%0.765SS**SBendtrans-118.619176.21.40000114.3
386K34.1Very low32.7Very low189 Ų189152.3 Ų152.382%0.82277%0.765SS**SBendtrans-1075.6167.6-88.2-176175.4179.10114.4
387Q35.4Very low33.1Very low151 Ų151152.3 Ų152.371%0.70676%0.762SS**SBendtrans-110-2179.9-94.7-175.33.200116.1
388E33.7Very low33.4Very low157 Ų157155.9 Ų155.973%0.73476%0.764SS**SBendtrans-103.2-13.9175.4-78.8-172.515300114.8
389V37.9Very low33.6Very low116 Ų116156.7 Ų156.770%0.70377%0.768SS**THydrogen-bonded Turntrans-94.9-12.2-179.3-173.30000113.2
390Q35.3Very low34.1Very low159 Ų159154 Ų15474%0.74377%0.767SS**THydrogen-bonded Turntrans-917.8173.8-74.4-172.12.500114.2
391R32.3Very low34Very low189 Ų189159.1 Ų159.171%0.71377%0.774SS**SBendtrans-99.7-11.4-177.8-143.2179.3-83.3-172.7-2.7114.5
392D36.8Very low33.9Very low128 Ų128160.5 Ų160.568%0.68478%0.782SS**SBendtrans-105.4-15.2-179.8-75.2-30.5000114.8Q394D392-Q394 VanDerWaalsContact C-N 3.34Å; D392-Q394 PolarHBondContact O-N 3.23Å
393E35Very low33.6Very low165 Ų165157.9 Ų157.977%0.77178%0.777SS**THydrogen-bonded Turntrans-84.1-2.4177.4-69.7-168.8142.400114.7
394Q35.4Very low33.2Very low163 Ų163156.9 Ų156.976%0.76278%0.778SS**THydrogen-bonded Turntrans-105.12.6177.9-81.1-174.8-1600114.8D392D392-Q394 VanDerWaalsContact C-N 3.34Å; D392-Q394 PolarHBondContact O-N 3.23Å
395K32.9Very low32.9Very low173 Ų173157.3 Ų157.375%0.75278%0.782SS**SBendtrans-96-15.2178.4-94.1-178.5176.2177.60115.9
396E35Very low32.6Very low194 Ų194159.1 Ų159.191%0.90778%0.783SS**SBendtrans-101.34178.7-89.5-169.3150.700115.1
397K33.5Very low32.3Very low180 Ų180157.2 Ų157.278%0.78378%0.777SS**SBendtrans-108.62.7178-82.1-175.8176.9175.60116
398N31.7Very low31.9Very low146 Ų146158.8 Ų158.878%0.78178%0.781SS**SBendtrans-12241.5-179-82.6-16.9000113.8
399Q31.3Very low31.5Very low185 Ų185156.9 Ų156.986%0.86479%0.785SS**SBendtrans-136.844.4161-76-168.73800111.3
400V38.6Very low30.9Very low132 Ų132155.1 Ų155.180%0.879%0.791SS**SBendtrans-141.589158-176.70000105.9
401E31.9Very low30.4Very low174 Ų174151.3 Ų151.381%0.81379%0.794SS**  trans167.1137.5143.4-92.9175.9-178.900111.2
402N26.6Very low30.1Very low176 Ų176151.4 Ų151.494%0.94180%0.802SS**  trans86118.1-169.7-51-49.5000113.8
403G24.4Very low29.8Very low72 Ų72154 Ų15474%0.74281%0.81SS**  cis151.8109.97.900000108.5
404D27.6Very low29.6Very low161 Ų161153.6 Ų153.686%0.86181%0.813SS**  trans30.9147.9150.4-69.8-44.3000126.2
405E27.3Very low29.1Very low178 Ų178155.5 Ų155.583%0.83282%0.819SS**  trans79.7132.6158.3-70.6173.2-171.500118.8
406E28.4Very low28.9Very low154 Ų154153.5 Ų153.572%0.7283%0.826SS**  cis-162.3148.412.4-116.1-167.2144.800112
407Q28.1Very low28.6Very low149 Ų149153.1 Ų153.170%0.69682%0.824SS**  trans44.8123.2148.5-60.7-172.313.700123.7
408K25.8Very low28.1Very low183 Ų183153.4 Ų153.480%0.79683%0.828SS**  167.4143.883.7-124172.7-170.3174.90114.2
409S26.1Very low28Very low117 Ų117154.4 Ų154.482%0.81883%0.832SS**  trans67.712014966.20000123.6
410G24.6Very low27.9Very low80 Ų80155.1 Ų155.183%0.82583%0.832SS**  116.3111.3116.300000119.2
411G25.2Very low27.3Very low78 Ų78159.6 Ų159.680%0.80483%0.834SS**  trans59.6155.8148.700000118.8
412E26.4Very low27.1Very low191 Ų191158.4 Ų158.489%0.89383%0.833SS**  cis-170.1149.5-1-131.9167.8-170.900105.7
413E30.8Very low27Very low182 Ų182158.9 Ų158.985%0.8583%0.83SS**  trans-63.2130168.2-61.5168.5147.800109.4
414D29.5Very low27.2Very low157 Ų157163.4 Ų163.484%0.8483%0.832SS**  trans169.5116.6143.4-96.9-26.1000112.4
415K25.9Very low27.1Very low203 Ų203165.2 Ų165.288%0.88383%0.832SS**  trans173.381.5136.4-98.3173.1179.9-179.80111.2
416C27.6Very low27Very low132 Ų132166.2 Ų166.289%0.89284%0.836SS**SBendtrans-143.347.4155.6-105.60000110.7
417Q28.8Very low27Very low185 Ų185167.3 Ų167.386%0.86484%0.842SS**  trans-151.199.6163.8-70.1-165.80.200110.7
418E23.8Very low27Very low187 Ų187169.8 Ų169.887%0.87485%0.853SS**  trans168.7100.3152.1-101.6178.3162.700103.8
419I30Very low27.3Very low167 Ų167169.9 Ų169.986%0.85685%0.854SS**  -148.7104.487.4-72139.6000108.7
420K28.3Very low27.5Very low199 Ų199170.7 Ų170.787%0.86586%0.856SS**  trans-136.589.9150.5-88.1-169.4178.1-179.10107.6
421R26.8Very low27.6Very low226 Ų226170.2 Ų170.285%0.85385%0.851SS**  trans-174.5145140-115.5170.9-90.5174.5-7112.6
422N26.9Very low28.3Very low149 Ų149171.6 Ų171.680%0.79784%0.844SS**  trans84.4114.5179.3-48.1-13.3000111.9
423H24.6Very low28.4Very low186 Ų186170.6 Ų170.686%0.86184%0.839SS**  cis-156.1138.630-137.6-62.9000110.6
424E28.2Very low28.6Very low168 Ų168169.4 Ų169.479%0.78584%0.838SS**  trans-76.4157.5166-75.6175.914500112.2
425K26.3Very low28.6Very low199 Ų199168.9 Ų168.987%0.86583%0.831SS**  trans94.8121.3169.5-57.1-178.5-179.4-178.20113.6
426E25Very low28.8Very low198 Ų198164.7 Ų164.793%0.92582%0.818SS**  cis-140.1139.423.3-69.7172.313700110.7
427E28Very low29Very low178 Ų178166.8 Ų166.883%0.83281%0.807SS**  trans-109.8124.4165.3-85.8-166.816200109.5
428E28.1Very low29.4Very low201 Ų201163.1 Ų163.194%0.93979%0.793SS**  trans-108.6131.2145.6-83.6-165.8148.700108.6
429K32.7Very low29.8Very low185 Ų185159.1 Ų159.180%0.80478%0.777SS**  trans-73.4154.9176.1-83.6-176.2179.3-179.80111.6
430P30.7Very low30.2Very low133 Ų133155.5 Ų155.586%0.86476%0.759SS**  -137.1170.166.230.3-9.1000112.4
431G26.6Very low31.1Very low70 Ų70152 Ų15272%0.72275%0.745SS**  cis168.6123.511.800000106
432T38.5Very low31.6Very low107 Ų107144.4 Ų144.466%0.65672%0.718SS**  trans-69.3121.5-172.9-41.90000112.8
433E29.5Very low32Very low171 Ų171142.8 Ų142.880%0.79971%0.706SS**  trans-138.2-21170.2-129173.7-169.300114.9
434L34.2Very low32.7Very low156 Ų156138.8 Ų138.882%0.81769%0.688SS**Hα-helixtrans-83.2-22.6-175.5-85.4138.2000115.6N436L434-N436 VanDerWaalsContact C-N 3.35Å
435Q29.7Very low33.2Very low147 Ų147138.1 Ų138.169%0.68768%0.678SS**Hα-helixtrans-78.6-18.4-179.7-77.5174.1-14.300113.7
436N30.3Very low33.6Very low114 Ų114134.4 Ų134.461%0.6167%0.667SS**Hα-helixtrans-79.1-28.7178.6-72.9-17.8000112.2L434 D440L434-N436 VanDerWaalsContact C-N 3.35Å; N436-D440 WeakPolarHBondContact O-CB 3.49Å; N436-D440 PolarHBondContact O-N 2.83Å; N436-D440 VanDerWaalsContact O-N 3.14Å
437W31.6Very low34.1Very low177 Ų177130.6 Ų130.667%0.6765%0.649SS**Hα-helixtrans-68.2-39.9-176.2-173.6-88.5000113.5K441W437-K441 PolarHBondContact O-N 3.12Å
438D37.9Very low34.8Very low108 Ų108125.1 Ų125.158%0.57863%0.628SS**Hα-helixtrans-79-32.2-178.1-81.2-26.1000113.2Q442D438-Q442 PolarHBondContact O-N 3.17Å
439L31.3Very low35.2Very low103 Ų103118.1 Ų118.154%0.53960%0.601SS.*Hα-helixtrans-67.8-39.4172.2-113.882.9000111.3Q442 Q443L439-Q442 PolarHBondContact O-N 2.95Å; L439-Q443 WeakPolarHBondContact O-CG 3.45Å; L439-Q443 PolarHBondContact O-N 2.83Å
440D38.9Very low35.4Very low90 Ų90116.5 Ų116.548%0.48159%0.594SS.*Hα-helixtrans-66.6-41.8180-15136.7000110.9N436 Q442 Q443 Q444N436-D440 WeakPolarHBondContact O-CB 3.49Å; N436-D440 PolarHBondContact O-N 2.83Å; N436-D440 VanDerWaalsContact O-N 3.14Å; D440-Q442 VanDerWaalsContact C-N 3.27Å; D440-Q442 PolarHBondContact O-N 3.18Å; D440-Q443 PolarHBondContact O-N 2.92Å; D440-Q444 VanDerWaalsContact O-CB 3.3Å; D440-Q444 WeakPolarHBondContact O-CB 3.49Å; D440-Q444 PolarHBondContact O-N 3.28Å
441K47.2Very low35.9Very low127 Ų127114.3 Ų114.355%0.55257%0.572SS**Hα-helixtrans-57.9-37.1171.5-86.3-168.9178.9-179.30113.4W437 R445W437-K441 PolarHBondContact O-N 3.12Å; K441-R445 WeakPolarHBondContact O-CB 3.26Å; K441-R445 PolarHBondContact O-N 3.07Å; K441-R445 VanDerWaalsContact O-N 3.14Å
442Q37.6Very low36.8Very low65 Ų65113.6 Ų113.630%0.30455%0.55SS.*Hα-helixtrans-77.6-37.9-177.1-141.1174.213.400111.8M1 D438 L439 D440 L446M1-Q442 PolarHBondContact SD-NE2 3.25Å; D438-Q442 PolarHBondContact O-N 3.17Å; L439-Q442 PolarHBondContact O-N 2.95Å; D440-Q442 VanDerWaalsContact C-N 3.27Å; D440-Q442 PolarHBondContact O-N 3.18Å; Q442-L446 WeakPolarHBondContact O-CG 3.37Å; Q442-L446 PolarHBondContact O-N 2.82Å
443Q35.1Very low36.7Very low116 Ų116113.4 Ų113.454%0.54255%0.545SS..Hα-helixtrans-67.7-38.9173.6-70.4-176.89.800111.8L439 D440 L446 Q447L439-Q443 WeakPolarHBondContact O-CG 3.45Å; L439-Q443 PolarHBondContact O-N 2.83Å; D440-Q443 PolarHBondContact O-N 2.92Å; Q443-L446 PolarHBondContact O-N 3.41Å; Q443-Q447 PolarHBondContact O-N 3.15Å
444Q40.1Very low37Very low101 Ų101111 Ų11147%0.47254%0.538SS..Hα-helixtrans-69-35.9178.5-142.6141.55500112.2D440 V448D440-Q444 VanDerWaalsContact O-CB 3.3Å; D440-Q444 WeakPolarHBondContact O-CB 3.49Å; D440-Q444 PolarHBondContact O-N 3.28Å; Q444-V448 VanDerWaalsContact O-CG2 3.26Å; Q444-V448 WeakPolarHBondContact O-CG2 3.28Å; Q444-V448 PolarHBondContact O-N 2.86Å; Q444-V448 VanDerWaalsContact O-N 3.17Å
445R37.9Very low37.5Very low155 Ų155110.6 Ų110.659%0.58553%0.532SS*.Hα-helixtrans-65.8-39.8172.9-170.8-177.6-68.7-136.9-2.4112.2E9 K441 S449E9-R445 IonicContact OE2-NH1 2.66Å; E9-R445 PolarHBondContact OE2-NH1 2.96Å; K441-R445 WeakPolarHBondContact O-CB 3.26Å; K441-R445 PolarHBondContact O-N 3.07Å; K441-R445 VanDerWaalsContact O-N 3.14Å; R445-S449 PolarHBondContact O-N 3.05Å; R445-S449 PolarHBondContact O-OG 3.42Å
446L35.6Very low38.1Very low121 Ų121111.1 Ų111.163%0.63453%0.534SS*.Hα-helixtrans-72.5-33178.6-73165.7000112.9Q442 Q443 K450Q442-L446 WeakPolarHBondContact O-CG 3.37Å; Q442-L446 PolarHBondContact O-N 2.82Å; Q443-L446 PolarHBondContact O-N 3.41Å; L446-K450 PolarHBondContact O-N 3.23Å
447Q34.7Very low38.2Very low117 Ų117109.2 Ų109.255%0.54754%0.541SS..Hα-helixtrans-66.3-42.3172.4-99.2172-20.200112.1Q443 S449 K450 E451Q443-Q447 PolarHBondContact O-N 3.15Å; Q447-S449 VanDerWaalsContact C-N 3.35Å; Q447-S449 PolarHBondContact O-N 2.75Å; Q447-K450 PolarHBondContact O-N 2.81Å; Q447-E451 WeakPolarHBondContact O-CG 3.15Å; Q447-E451 PolarHBondContact O-N 2.84Å
448V42Very low38.1Very low63 Ų63104 Ų10438%0.38254%0.542SS..Hα-helixtrans-60.5-42.5177.7170.70000111.7T185 Q444 K450 E452T185-V448 HydrophobicContact CG2-CG2 4.44Å; Q444-V448 VanDerWaalsContact O-CG2 3.26Å; Q444-V448 WeakPolarHBondContact O-CG2 3.28Å; Q444-V448 PolarHBondContact O-N 2.86Å; Q444-V448 VanDerWaalsContact O-N 3.17Å; V448-K450 VanDerWaalsContact C-N 3.32Å; V448-K450 PolarHBondContact O-N 2.97Å; V448-E452 PolarHBondContact O-N 2.92Å
449S37.8Very low37.9Very low55 Ų55106.4 Ų106.439%0.38556%0.555SS.*Hα-helixtrans-69-28.5179.3-48.90000113.7R445 Q447 N453R445-S449 PolarHBondContact O-N 3.05Å; R445-S449 PolarHBondContact O-OG 3.42Å; Q447-S449 VanDerWaalsContact C-N 3.35Å; Q447-S449 PolarHBondContact O-N 2.75Å; S449-N453 PolarHBondContact O-ND2 3.21Å
450K35.3Very low37.8Very low151 Ų151109.7 Ų109.766%0.65757%0.569SS**Hα-helixtrans-80.5-40179.7-159.5173.1-178.1179.70111.3L446 Q447 V448 E452 N453L446-K450 PolarHBondContact O-N 3.23Å; Q447-K450 PolarHBondContact O-N 2.81Å; V448-K450 VanDerWaalsContact C-N 3.32Å; V448-K450 PolarHBondContact O-N 2.97Å; K450-E452 PolarHBondContact O-N 2.92Å; K450-N453 PolarHBondContact O-N 3.09Å
451E42.5Very low37.3Very low86 Ų86111.3 Ų111.340%0.40258%0.582SS.*Hα-helixtrans-70.1-30179.9-69.8-173.217100113.2K184 Q447 N453 D454 E455K184-E451 IonicContact NZ-OE1 3.97Å; K184-E451 PolarHBondContact NZ-OE1 3.5Å; K184-E451 IonicContact NZ-OE2 3.59Å; K184-E451 PolarHBondContact NZ-OE2 2.92Å; Q447-E451 WeakPolarHBondContact O-CG 3.15Å; Q447-E451 PolarHBondContact O-N 2.84Å; E451-N453 PolarHBondContact O-N 3.37Å; E451-D454 PolarHBondContact O-N 2.75Å; E451-E455 PolarHBondContact O-N 2.91Å
452E44.2Very low36.3Very low56 Ų56113.9 Ų113.926%0.26260%0.599SS.*Hα-helixtrans-66.8-15.6173.8-79.1-160.9152.600114.1K130 V448 K450K130-E452 VanDerWaalsContact CE-OE2 3.26Å; K130-E452 WeakPolarHBondContact CE-OE2 3.35Å; K130-E452 PolarHBondContact NZ-O 3.26Å; V448-E452 PolarHBondContact O-N 2.92Å; K450-E452 PolarHBondContact O-N 2.92Å
453N36.7Very low35.7Very low102 Ų102117.8 Ų117.855%0.54562%0.622SS.*Hα-helixtrans-96-24.3178-68.6-23.9000112.6K130 S449 K450 E451K130-N453 PolarHBondContact NZ-OD1 2.69Å; S449-N453 PolarHBondContact O-ND2 3.21Å; K450-N453 PolarHBondContact O-N 3.09Å; E451-N453 PolarHBondContact O-N 3.37Å
454D36.4Very low35.3Very low120 Ų120119.9 Ų119.964%0.64263%0.632SS**Hα-helixtrans-83.3-25.6-178.9-67.2-26.4000112.6E451E451-D454 PolarHBondContact O-N 2.75Å
455E45.7Very low34.7Very low148 Ų148121.7 Ų121.769%0.69265%0.645SS**SBendtrans-82.9-12.8178.7-72.5-164170.100114.7E451E451-E455 PolarHBondContact O-N 2.91Å
456E41.9Very low34.2Very low158 Ų158123.3 Ų123.374%0.73866%0.659SS**SBendtrans-88.8-13.4-179.9-143.9166.6-156.100112.8
457G31.5Very low33.8Very low74 Ų74125.2 Ų125.276%0.76367%0.669SS**SBendtrans-86.8-6177.200000115.6
458G30.5Very low33.4Very low67 Ų67128.7 Ų128.769%0.69169%0.686SS**  trans-106.657.2-172.500000114.2
459L33.4Very low32.7Very low160 Ų160133.4 Ų133.484%0.83871%0.709SS**  trans-131.777.6169.8-164.487.2000110.6
460M28.8Very low32.2Very low172 Ų172136.4 Ų136.485%0.84773%0.73SS**  trans-163.1131.1157.9-93.6-51.2171.600111.1
461T28Very low31.8Very low123 Ų123138.4 Ų138.476%0.75574%0.741SS**  trans76.2137.7167.479.40000116
462M26.1Very low31.1Very low181 Ų181143.8 Ų143.889%0.89277%0.766SS**  cis-148.6166.715.9-80.6-151.8177.700112.8
463N26.3Very low30.3Very low148 Ų148145.3 Ų145.379%0.79180%0.798SS**  trans-89.9165.3175.9-138.121.9000111.7
464E26.6Very low29.8Very low160 Ų160145.5 Ų145.575%0.74881%0.807SS**  trans89.8117.6154.7-70.4-178.1161.900122.9
465N26.3Very low29.5Very low139 Ų139145.5 Ų145.574%0.74382%0.816SS**  trans64.1118.2137.9-66.4-19.4000121.5
466Q28.7Very low28.6Very low188 Ų188144.9 Ų144.988%0.87982%0.817SS**  -171.9134.3102.2-97171.224.200112.2
467N26.3Very low27.8Very low161 Ų161143.9 Ų143.986%0.86182%0.817SS**  trans-70141.1162.8-79.3-26.4000110.1
468Q27Very low27.5Very low191 Ų191147 Ų14789%0.89381%0.809SS**  trans-160.7126.2138-122.3166.3-4.100112
469D26.8Very low27.6Very low162 Ų162149.5 Ų149.587%0.86680%0.799SS**  trans-65.6142.8169.2-63.7-57.1000111.6
470S27.9Very low27.3Very low117 Ų117146 Ų14682%0.81878%0.775SS**  trans-158.1104.7146.753.80000108.9
471E26.9Very low27.9Very low194 Ų194145.1 Ų145.191%0.90776%0.763SS**  trans-61.5130.6160.9-65.1178.6142.700109.3
472E27.1Very low28.1Very low198 Ų198143 Ų14393%0.92575%0.745SS**  trans-155.7123.9145.5-113.6176.2-157.500109.4
473G27.5Very low28.4Very low89 Ų89142.8 Ų142.892%0.91874%0.739SS**  trans-70.5135.3-171.100000113
474S26.4Very low28.5Very low106 Ų106138.2 Ų138.274%0.74173%0.727SS**  trans-135.9123.4157.6178.20000107.9L476S474-L476 PolarHBondContact O-N 2.84Å
475S28.8Very low28.8Very low120 Ų120138.9 Ų138.984%0.83974%0.735SS**  trans-53.696.7-175.3-175.20000111.2
476L26.9Very low29.3Very low135 Ų135136.9 Ų136.971%0.70772%0.724SS**  trans-88.8108.3177.1-133.6111.9000108.2S474 K478S474-L476 PolarHBondContact O-N 2.84Å; L476-K478 HydrophobicContact CD2-CG 4.34Å; L476-K478 PolarHBondContact O-N 3.23Å
477D25.7Very low29.6Very low136 Ų136131.5 Ų131.573%0.72771%0.706SS**  trans-60.893.5162.1-87.4-25.7000107.9Y479D477-Y479 PolarHBondContact O-N 3.36Å
478K26.7Very low29.9Very low139 Ų139132.4 Ų132.460%0.60471%0.705SS**  trans-75106.1174-71.3179.4-178.9179.90107.4L476 Y480L476-K478 HydrophobicContact CD2-CG 4.34Å; L476-K478 PolarHBondContact O-N 3.23Å; K478-Y480 HydrophobicContact CB-CD2 4.2Å; K478-Y480 HydrophobicContact CB-CE2 3.63Å; K478-Y480 HydrophobicContact CD-CE2 4.45Å; K478-Y480 VanDerWaalsContact O-CD2 3.28Å; K478-Y480 WeakPolarHBondContact O-CD2 3.44Å; K478-Y480 PolarHBondContact O-N 3.04Å
479Y31.1Very low30.4Very low121 Ų121126 Ų12648%0.47568%0.678SS.*  trans-66.4119.9166-65.2-84.9000108.5D477D477-Y479 PolarHBondContact O-N 3.36Å
480Y27.4Very low31Very low86 Ų86124.1 Ų124.134%0.33766%0.66SS.*  trans-95.5136173-80.9-100.1000109.3R109 K478R109-Y480 VanDerWaalsContact CZ-CE2 3.45Å; R109-Y480 VanDerWaalsContact CZ-CZ 3.45Å; R109-Y480 PolarHBondContact NH1-OH 2.91Å; R109-Y480 VanDerWaalsContact NH1-OH 3.1Å; R109-Y480 PolarHBondContact NH2-OH 3.15Å; K478-Y480 HydrophobicContact CB-CD2 4.2Å; K478-Y480 HydrophobicContact CB-CE2 3.63Å; K478-Y480 HydrophobicContact CD-CE2 4.45Å; K478-Y480 VanDerWaalsContact O-CD2 3.28Å; K478-Y480 WeakPolarHBondContact O-CD2 3.44Å; K478-Y480 PolarHBondContact O-N 3.04Å
481Y41.7Very low31.2Very low154 Ų154121.2 Ų121.260%0.60464%0.64SS**  trans-104.2127.1-176.1-61.1-80.5000109.6M158M158-Y481 HydrophobicContact CE-CE1 4.01Å
482Q32.8Very low31.8Very low78 Ų78117.8 Ų117.836%0.36462%0.624SS.*  trans-135.8130.5167-160.6158.1200109D106 Y113 G484D106-Q482 VanDerWaalsContact CG-NE2 3.26Å; D106-Q482 VanDerWaalsContact CG-OE1 3.31Å; D106-Q482 PolarHBondContact OD2-NE2 2.9Å; Y113-Q482 HydrophobicContact CE1-CB 4.39Å; Q482-G484 PolarHBondContact O-N 2.85Å
483K31.9Very low31.9Very low177 Ų177116 Ų11677%0.7762%0.616SS**  trans-72.6106.2-168.9-155.3173.6-172.9176.20108.7
484G29.2Very low31.9Very low52 Ų52116.5 Ų116.554%0.53660%0.601SS.*PPolyproline II helixtrans-80.2150.916900000110.7Q482Q482-G484 PolarHBondContact O-N 2.85Å
485D32.6Very low32Very low173 Ų173117 Ų11793%0.92561%0.605SS**PPolyproline II helixtrans-58.3137.6-179.3-67.6-50.5000112.8
486D36.3Very low31.9Very low97 Ų97117.7 Ų117.752%0.51960%0.604SS.*PPolyproline II helixtrans-72.2143-164.3-69.3-39.5000113.5K169K169-D486 IonicContact NZ-OD2 3.53Å; K169-D486 PolarHBondContact NZ-OD2 3.22Å
487P34Very low31.9Very low75 Ų75115.5 Ų115.549%0.48761%0.605SS.*PPolyproline II helixtrans-72.7152.8154.333.2-33.2000110.5T115 V489T115-P487 HydrophobicContact CG2-CG 3.69Å; P487-V489 PolarHBondContact O-N 2.68Å; P487-V489 VanDerWaalsContact O-N 3.1Å
488E33.6Very low32.1Very low181 Ų181114.6 Ų114.685%0.84661%0.61SS**  trans-49.7114-176.2-72-177.915700112.9Y490E488-Y490 PolarHBondContact O-N 3.25Å; E488-Y490 VanDerWaalsContact O-N 3.14Å
489V38.4Very low32.6Very low55 Ų55113.4 Ų113.433%0.33362%0.616SS.*  trans-70.2105.4169.3-1800000107.3P487 S491P487-V489 PolarHBondContact O-N 2.68Å; P487-V489 VanDerWaalsContact O-N 3.1Å; V489-S491 PolarHBondContact O-N 3.26Å
490Y38.9Very low32.3Very low123 Ų123112.5 Ų112.548%0.48263%0.634SS.*  trans-71.580.5171.5-124.4-93.6000109.2R197 E488R197-Y490 WeakPolarHBondContact O-CE1 3.37Å; E488-Y490 PolarHBondContact O-N 3.25Å; E488-Y490 VanDerWaalsContact O-N 3.14Å
491S32.5Very low32.4Very low57 Ų57115.1 Ų115.140%0.39966%0.659SS.*  trans-78133.3164.2-51.10000106.8V489 E493V489-S491 PolarHBondContact O-N 3.26Å; S491-E493 PolarHBondContact O-N 3.31Å
492Q38.9Very low31.8Very low121 Ų121115.8 Ų115.857%0.56567%0.668SS**  trans-68.287.8165.3-73.5-177.8-19.400107.6I195I195-Q492 PolarHBondContact O-NE2 3.39Å
493E28.4Very low31.6Very low161 Ų161120 Ų12075%0.75269%0.693SS**  trans-129.5146.1163.7-73.6-165.417500110.7S491S491-E493 PolarHBondContact O-N 3.31Å
494T28.2Very low31.6Very low99 Ų99119.6 Ų119.661%0.60769%0.693SS**  trans-64.3146.3-163.246.50000114.2T496T494-T496 PolarHBondContact O-N 3.25Å
495S28.9Very low31.6Very low118 Ų118125.2 Ų125.283%0.82571%0.711SS**  trans-47.4117.2166.2-175.20000112.1
496T26.5Very low31.5Very low133 Ų133121.2 Ų121.282%0.81670%0.702SS**  trans-137.489.7150.953.30000108.7T494T494-T496 PolarHBondContact O-N 3.25Å
497A26.1Very low31.2Very low89 Ų89124.4 Ų124.474%0.73672%0.719SS**  trans-84.5133.5152.500000107.9
498S29.5Very low31Very low117 Ų117128.8 Ų128.882%0.81874%0.735SS**  trans-141.2149.2156.5-82.30000109.5
499P37.3Very low30.9Very low114 Ų114125.4 Ų125.474%0.7473%0.731SS**  trans-94.7158.4-151.635.9-32.6000113
500A25.4Very low30.5Very low103 Ų103130.6 Ų130.685%0.85176%0.757SS**  trans-61.1137.2162.500000110.3
501T29.6Very low30.1Very low141 Ų141128.5 Ų128.587%0.86577%0.772SS**  trans-112121.6157.214.30000108.4
502E28.1Very low30Very low167 Ų167134.5 Ų134.578%0.7879%0.794SS**  trans-70.3134.8167.7-171.6175.9-165.500109.1
503N29.9Very low29.7Very low168 Ų168136.2 Ų136.290%0.89881%0.805SS**  trans-147.2129.5153.4-103.8-27.9000109.4
504Q30.5Very low29.8Very low167 Ų167133.1 Ų133.178%0.7880%0.802SS**  trans-68.9146.6180-63.6172.4-19.400111.1
505D29.8Very low29.9Very low170 Ų170133.2 Ų133.291%0.90981%0.807SS**  trans-156.6135.4134.1-105.9-26.8000111.3
506A30Very low30Very low89 Ų89132 Ų13274%0.73680%0.798SS**  trans-75.1157.2-174.600000112.7
507L30.8Very low30.5Very low165 Ų165133 Ų13386%0.86479%0.793SS**  trans-173.3105.1135.8-97.5165.2000111.3
508M30.1Very low30.9Very low167 Ų167135.9 Ų135.982%0.82379%0.789SS**  trans17.3126138.2-54.7-71.9-88.800119.3
509S31.6Very low31.3Very low109 Ų109136 Ų13676%0.76278%0.781SS**  178.8116.2111.859.40000112.9
510D29.7Very low31.3Very low164 Ų164139.2 Ų139.288%0.87778%0.783SS**  trans41.6126.8135.5-60-28.6000122.6
511G30.5Very low31.9Very low79 Ų79143.1 Ų143.181%0.81478%0.784SS**  trans-17974.1163.400000112.1
512Q30.1Very low32.7Very low184 Ų184140.5 Ų140.586%0.8678%0.777SS**  trans-57.8163.1175.7-72174.2-7400114.6
513I32.6Very low33.5Very low156 Ų156142.1 Ų142.180%0.878%0.781SS**  trans129.384.3146-62.9156.7000109
514S29.7Very low34.2Very low96 Ų96145.4 Ų145.467%0.67180%0.797SS**  58.8107.984.6106.70000113.6
515S31.6Very low34.4Very low102 Ų102144.4 Ų144.471%0.71380%0.798SS**  79.4130.1106.870.80000112.5
516S31.3Very low34.7Very low92 Ų92143 Ų14364%0.64379%0.792SS**  cis174.7152.549.243.80000110
517E36Very low34.9Very low153 Ų153146 Ų14672%0.71580%0.796SS**  trans65.1150.9139.4-74.7-174.3138.100119.3
518K35.3Very low35.2Very low150 Ų150144.9 Ų144.965%0.65279%0.792SS**  cis-175.9152-14.7-120175.5-171.7153.10104.6
519D36.7Very low35.5Very low121 Ų121143.5 Ų143.565%0.64779%0.79SS**  trans66.6132.8140.2-70.3-20.1000123.7
520K37.9Very low35.7Very low181 Ų181145.8 Ų145.879%0.78779%0.791SS**  trans76.8143.5146.4-67.1164.6-172.9-177.60115.7
521E37.7Very low36.2Very low185 Ų185144.5 Ų144.586%0.86479%0.785SS**  cis-16416922.7-142.3169.516700110.3
522A46.2Very low36.6Very low86 Ų86149.5 Ų149.571%0.71178%0.783SS**  trans-77.1-178.7-172.100000116.5
523K45.1Very low37.1Very low200 Ų200146.7 Ų146.787%0.8778%0.777SS**  trans104.3123.5170.4-65.3172.4177.1173.40111.6
524L45.7Very low37.6Very low238 Ų238145.8 Ų145.8100%1.24678%0.775SS**  cis-157.6022.3-148.4134.2000109.3

Retrieved 524 of 524 residues in 373.6 ms (Link to these results)

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