A0A087XAY6_POEFO Loading...

Leucine--tRNA ligase, cytoplasmic

Aminoacyl-tRNA synthetase that catalyzes the specific attachment of leucine to its cognate tRNA (tRNA(Leu)). It performs tRNA aminoacylation in a two-step reaction: Leu is initially activated by ATP to form a leucyl-adenylate (Leu-AMP) intermediate; then the leucyl moiety is transferred to the acceptor 3' end of the tRNA to yield leucyl-tRNA. To improve the fidelity of catalytic reactions, it is also able to hydrolyze misactivated aminoacyl-adenylate intermediates (pre-transfer editing) and mischarged aminoacyl-tRNAs (post-transfer editing).

AlphaFold DB , UniProt , Accession A0A087XAY6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,184 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
1M35.7Very low65.7Low246 Ų246114.1 Ų114.1100%1.21261%0.614SS**  01160-71.5-178.8-172.200107.5
2T36.9Very low68.1Low144 Ų144109.3 Ų109.388%0.88358%0.581SS**PPolyproline II helixtrans-73.6122.5171.3150000108.4R4T2-R4 PolarHBondContact O-N 2.71Å
3E40.3Very low70.1Confident191 Ų191101.1 Ų101.189%0.89354%0.538SS*.PPolyproline II helixtrans-56.5126.3175.8-90.6-177.9146.500110.6K5E3-K5 PolarHBondContact O-N 3.34Å
4R57.6Low71.8Confident84 Ų8497.8 Ų97.832%0.31751%0.514SS..PPolyproline II helixtrans-69.4120.2-179.8-171.5177.9-177.7159.78.2109.3T2 G6 K741 D769T2-R4 PolarHBondContact O-N 2.71Å; R4-G6 PolarHBondContact O-N 3.29Å; R4-G6 VanDerWaalsContact O-N 3.16Å; R4-K741 PolarHBondContact NH1-O 2.96Å; R4-D769 IonicContact CZ-OD1 3.18Å; R4-D769 IonicContact NE-OD1 2.64Å; R4-D769 IonicContact NH1-OD1 3.32Å; R4-D769 PolarHBondContact NH1-OD1 3.25Å; R4-D769 VanDerWaalsContact NH2-CG 3.35Å; R4-D769 IonicContact NH2-OD1 2.81Å; R4-D769 PolarHBondContact NH2-OD1 2.94Å
5K48.4Very low73.5Confident211 Ų21199.9 Ų99.992%0.91752%0.518SS*.SBendtrans-71.5107.4175.8-72.7-175.9176.4-179.40110.5E3E3-K5 PolarHBondContact O-N 3.34Å
6G61.6Low74.9Confident64 Ų6494.1 Ų94.166%0.6649%0.488SS*.  trans85.8101.5172.300000114.6R4R4-G6 PolarHBondContact O-N 3.29Å; R4-G6 VanDerWaalsContact O-N 3.16Å
7T79.7Confident76.2Confident72 Ų7289 Ų8944%0.44246%0.461SS..  trans-95.8-15.1-179.558.40000114.3K9 L10 D11T7-K9 VanDerWaalsContact C-N 3.27Å; T7-K9 PolarHBondContact O-N 2.86Å; T7-L10 WeakPolarHBondContact O-CA 3.49Å; T7-L10 WeakPolarHBondContact O-CB 3.39Å; T7-L10 PolarHBondContact O-N 3.41Å; T7-D11 WeakPolarHBondContact CB-OD2 3.46Å; T7-D11 PolarHBondContact O-N 3.11Å; T7-D11 PolarHBondContact OG1-OD2 3.35Å
8A88.3Confident77.3Confident75 Ų7589.2 Ų89.262%0.6246%0.462SS*.Hα-helixtrans-54.6-36.7-171.200000114.7D11 Y12A8-D11 PolarHBondContact O-N 3.25Å; A8-Y12 WeakPolarHBondContact O-CB 3.43Å; A8-Y12 PolarHBondContact O-N 3.28Å
9K91.9Very high78.3Confident83 Ų8389.4 Ų89.436%0.36146%0.461SS..Hα-helixtrans-68.9-36.6177.8-62.5178.8-179.5174.90112.5T7 L13 L773 Y776T7-K9 VanDerWaalsContact C-N 3.27Å; T7-K9 PolarHBondContact O-N 2.86Å; K9-L13 PolarHBondContact O-N 3.28Å; K9-L773 HydrophobicContact CD-CD1 4.18Å; K9-Y776 HydrophobicContact CB-CD2 3.95Å; K9-Y776 HydrophobicContact CB-CE2 4.43Å; K9-Y776 HydrophobicContact CB-CG 4.13Å; K9-Y776 HydrophobicContact CD-CD1 3.86Å; K9-Y776 HydrophobicContact CD-CE1 4.32Å; K9-Y776 HydrophobicContact CD-CG 3.97Å; K9-Y776 HydrophobicContact CG-CD1 4Å; K9-Y776 HydrophobicContact CG-CD2 3.89Å; K9-Y776 HydrophobicContact CG-CE1 4.19Å; K9-Y776 HydrophobicContact CG-CE2 4.06Å; K9-Y776 HydrophobicContact CG-CG 3.85Å
10L90.9Very high79.3Confident10 Ų1085.7 Ų85.75%0.05244%0.441CS..Hα-helixtrans-68.7-44.4175.9172.466.2000110.4T7 Y12 L13 R14 K741 F742 S743 I772T7-L10 WeakPolarHBondContact O-CA 3.49Å; T7-L10 WeakPolarHBondContact O-CB 3.39Å; T7-L10 PolarHBondContact O-N 3.41Å; L10-Y12 VanDerWaalsContact C-N 3.28Å; L10-Y12 PolarHBondContact O-N 2.93Å; L10-L13 PolarHBondContact O-N 2.95Å; L10-R14 WeakPolarHBondContact O-CG 3.47Å; L10-R14 PolarHBondContact O-N 3.28Å; L10-R14 VanDerWaalsContact O-N 3.08Å; L10-K741 WeakPolarHBondContact CD2-O 3.45Å; L10-F742 VanDerWaalsContact CD1-C 3.46Å; L10-S743 VanDerWaalsContact CD1-N 3.31Å; L10-I772 HydrophobicContact CD1-CD1 4.33Å
11D91.6Very high80.1Confident75 Ų7583 Ų8340%0.40143%0.427SS..Hα-helixtrans-65.1-35.2178.5-60.3-35.5000111.4T7 A8 R14 K15T7-D11 WeakPolarHBondContact CB-OD2 3.46Å; T7-D11 PolarHBondContact O-N 3.11Å; T7-D11 PolarHBondContact OG1-OD2 3.35Å; A8-D11 PolarHBondContact O-N 3.25Å; D11-R14 PolarHBondContact O-N 3.32Å; D11-R14 IonicContact OD1-NH1 3.26Å; D11-K15 PolarHBondContact O-N 3.12Å
12Y93.9Very high83Confident56 Ų5678 Ų7822%0.2240%0.401CS..Hα-helixtrans-59.5-47.4172.2-179.4-91.8000112.6A8 L10 K15 I16 Y776 V779 K783 Y877A8-Y12 WeakPolarHBondContact O-CB 3.43Å; A8-Y12 PolarHBondContact O-N 3.28Å; L10-Y12 VanDerWaalsContact C-N 3.28Å; L10-Y12 PolarHBondContact O-N 2.93Å; Y12-K15 PolarHBondContact O-N 3.36Å; Y12-I16 HydrophobicContact CD1-CD1 3.89Å; Y12-I16 HydrophobicContact CE1-CD1 3.28Å; Y12-I16 HydrophobicContact CE1-CG1 4.46Å; Y12-I16 PolarHBondContact O-N 3.49Å; Y12-Y776 AromaticContact CD1-CD2 4Å; Y12-Y776 HydrophobicContact CD1-CD2 4Å; Y12-Y776 AromaticContact CD1-CE2 3.99Å; Y12-Y776 HydrophobicContact CD1-CE2 3.99Å; Y12-Y776 HydrophobicContact CG-CD2 4.44Å; Y12-Y776 HydrophobicContact CG-CE2 4.08Å; Y12-V779 HydrophobicContact CE1-CG1 4.27Å; Y12-K783 WeakPolarHBondContact OH-CE 3.25Å; Y12-K783 PolarHBondContact OH-NZ 2.96Å; Y12-Y877 WeakPolarHBondContact OH-CE1 3.48Å; Y12-Y877 PolarHBondContact OH-OH 3.01Å
13L94.1Very high85.8Confident3 Ų374.2 Ų74.22%0.01637%0.372CS..Hα-helixtrans-62.8-44177.3-69.7178.8000111.8K9 L10 K15 I16 E17 I772 L874K9-L13 PolarHBondContact O-N 3.28Å; L10-L13 PolarHBondContact O-N 2.95Å; L13-K15 VanDerWaalsContact C-N 3.31Å; L13-K15 PolarHBondContact O-N 3.42Å; L13-I16 WeakPolarHBondContact O-CB 3.25Å; L13-I16 PolarHBondContact O-N 2.78Å; L13-E17 VanDerWaalsContact O-CG 3.28Å; L13-E17 WeakPolarHBondContact O-CG 3.41Å; L13-E17 PolarHBondContact O-N 3.45Å; L13-I772 HydrophobicContact CD1-CB 4.46Å; L13-I772 HydrophobicContact CD1-CG1 4.39Å; L13-I772 HydrophobicContact CD1-CG2 3.89Å; L13-L874 HydrophobicContact CD2-CD1 3.73Å
14R94.5Very high88.5Confident55 Ų5565.5 Ų65.521%0.20833%0.331CS..Hα-helixtrans-61-39.5178.6-75.3178173.6150.712.9113.6L10 D11 I16 E17 L18 I739 S740L10-R14 WeakPolarHBondContact O-CG 3.47Å; L10-R14 PolarHBondContact O-N 3.28Å; L10-R14 VanDerWaalsContact O-N 3.08Å; D11-R14 PolarHBondContact O-N 3.32Å; D11-R14 IonicContact OD1-NH1 3.26Å; R14-I16 VanDerWaalsContact C-N 3.32Å; R14-E17 PolarHBondContact O-N 2.87Å; R14-L18 WeakPolarHBondContact O-CG 3.46Å; R14-L18 PolarHBondContact O-N 2.68Å; R14-I739 PolarHBondContact NH2-O 3.39Å; R14-S740 PolarHBondContact NH2-O 3.43Å
15K96.3Very high90.2Very high130 Ų13066.3 Ų66.357%0.56534%0.338SS*.Hα-helixtrans-59.7-47177.1-177.6179.3172.1-179.10110.6D11 Y12 L13 L18 E19D11-K15 PolarHBondContact O-N 3.12Å; Y12-K15 PolarHBondContact O-N 3.36Å; L13-K15 VanDerWaalsContact C-N 3.31Å; L13-K15 PolarHBondContact O-N 3.42Å; K15-L18 PolarHBondContact O-N 3.34Å; K15-E19 WeakPolarHBondContact CE-OE1 3.12Å; K15-E19 WeakPolarHBondContact O-CG 3.27Å; K15-E19 PolarHBondContact O-N 3.46Å
16I96.3Very high92.4Very high7 Ų765.2 Ų65.24%0.03633%0.333CS..Hα-helixtrans-60.4-46.2175.7-68.4168.3000110.8Y12 L13 R14 L18 E19 I20 Y877Y12-I16 HydrophobicContact CD1-CD1 3.89Å; Y12-I16 HydrophobicContact CE1-CD1 3.28Å; Y12-I16 HydrophobicContact CE1-CG1 4.46Å; Y12-I16 PolarHBondContact O-N 3.49Å; L13-I16 WeakPolarHBondContact O-CB 3.25Å; L13-I16 PolarHBondContact O-N 2.78Å; R14-I16 VanDerWaalsContact C-N 3.32Å; I16-L18 VanDerWaalsContact C-N 3.34Å; I16-L18 PolarHBondContact O-N 3.47Å; I16-E19 PolarHBondContact O-N 3.27Å; I16-I20 HydrophobicContact CG2-CG1 4.08Å; I16-I20 WeakPolarHBondContact O-CB 3.09Å; I16-I20 VanDerWaalsContact O-CG1 3.29Å; I16-I20 WeakPolarHBondContact O-CG1 2.85Å; I16-I20 PolarHBondContact O-N 3.24Å; I16-Y877 HydrophobicContact CD1-CD1 3.67Å; I16-Y877 HydrophobicContact CD1-CD2 4.27Å; I16-Y877 HydrophobicContact CD1-CE1 3.81Å; I16-Y877 HydrophobicContact CD1-CE2 4.4Å; I16-Y877 HydrophobicContact CD1-CG 3.91Å; I16-Y877 HydrophobicContact CG1-CD1 4.4Å; I16-Y877 HydrophobicContact CG1-CD2 4.12Å; I16-Y877 HydrophobicContact CG1-CE2 4.34Å; I16-Y877 HydrophobicContact CG1-CG 4.15Å; I16-Y877 HydrophobicContact CG2-CD2 4.23Å; I16-Y877 HydrophobicContact CG2-CG 3.87Å
17E97.3Very high94Very high7 Ų766.8 Ų66.83%0.03332%0.324CS..Hα-helixtrans-56.5-46.7-179.7-71.5165.3170.800112.1L13 R14 I20 Q21 S743 A744 D745 H873L13-E17 VanDerWaalsContact O-CG 3.28Å; L13-E17 WeakPolarHBondContact O-CG 3.41Å; L13-E17 PolarHBondContact O-N 3.45Å; R14-E17 PolarHBondContact O-N 2.87Å; E17-I20 PolarHBondContact O-N 3.03Å; E17-Q21 VanDerWaalsContact O-CB 3.31Å; E17-Q21 WeakPolarHBondContact O-CB 3.25Å; E17-Q21 VanDerWaalsContact O-CD 3.3Å; E17-Q21 WeakPolarHBondContact O-CG 3.41Å; E17-Q21 PolarHBondContact O-N 3.45Å; E17-S743 VanDerWaalsContact OE1-CB 3.23Å; E17-S743 WeakPolarHBondContact OE1-CB 3.43Å; E17-S743 PolarHBondContact OE1-OG 3.45Å; E17-S743 WeakPolarHBondContact OE2-CB 3.49Å; E17-A744 VanDerWaalsContact CD-N 3.27Å; E17-A744 HydrophobicContact CG-CB 4.35Å; E17-A744 WeakPolarHBondContact OE1-CA 3.21Å; E17-A744 PolarHBondContact OE1-N 3.5Å; E17-A744 PolarHBondContact OE2-N 3.09Å; E17-D745 PolarHBondContact OE1-N 3.17Å; E17-H873 HydrophobicContact CB-CB 4.41Å; E17-H873 HydrophobicContact CG-CB 3.79Å
18L96.5Very high94.8Very high93 Ų9371.3 Ų71.349%0.48733%0.333SS..Hα-helixtrans-62.1-48.9178.3-70170000112R14 K15 I16 I20 Q21 E22R14-L18 WeakPolarHBondContact O-CG 3.46Å; R14-L18 PolarHBondContact O-N 2.68Å; K15-L18 PolarHBondContact O-N 3.34Å; I16-L18 VanDerWaalsContact C-N 3.34Å; I16-L18 PolarHBondContact O-N 3.47Å; L18-I20 VanDerWaalsContact C-N 3.32Å; L18-I20 PolarHBondContact O-N 3.4Å; L18-Q21 PolarHBondContact O-N 2.89Å; L18-E22 WeakPolarHBondContact O-CG 3.42Å; L18-E22 PolarHBondContact O-N 2.89Å
19E96.4Very high95Very high92 Ų9269.4 Ų69.443%0.4332%0.317SS..Hα-helixtrans-60.1-41.7179.6-70.8172.5-173.500111.8K15 I16 K23K15-E19 WeakPolarHBondContact CE-OE1 3.12Å; K15-E19 WeakPolarHBondContact O-CG 3.27Å; K15-E19 PolarHBondContact O-N 3.46Å; I16-E19 PolarHBondContact O-N 3.27Å; E19-K23 PolarHBondContact O-N 3.03Å; E19-K23 VanDerWaalsContact O-N 3.12Å
20I97.7Very high95.2Very high15 Ų1566.9 Ų66.98%0.07731%0.306CS..Hα-helixtrans-72.5-38.3179.3-65.3-51.6000112I16 E17 L18 K23 W24 H873 E876I16-I20 HydrophobicContact CG2-CG1 4.08Å; I16-I20 WeakPolarHBondContact O-CB 3.09Å; I16-I20 VanDerWaalsContact O-CG1 3.29Å; I16-I20 WeakPolarHBondContact O-CG1 2.85Å; I16-I20 PolarHBondContact O-N 3.24Å; E17-I20 PolarHBondContact O-N 3.03Å; L18-I20 VanDerWaalsContact C-N 3.32Å; L18-I20 PolarHBondContact O-N 3.4Å; I20-K23 WeakPolarHBondContact O-CB 3.07Å; I20-K23 PolarHBondContact O-N 2.99Å; I20-W24 HydrophobicContact CG2-CD2 3.81Å; I20-W24 HydrophobicContact CG2-CE3 4.09Å; I20-W24 HydrophobicContact CG2-CH2 3.5Å; I20-W24 VanDerWaalsContact CG2-CH2 3.5Å; I20-W24 HydrophobicContact CG2-CZ2 3.18Å; I20-W24 HydrophobicContact CG2-CZ3 3.96Å; I20-W24 PolarHBondContact O-N 3.46Å; I20-H873 HydrophobicContact CB-CB 4.48Å; I20-H873 HydrophobicContact CG2-CB 4.48Å; I20-E876 HydrophobicContact CD1-CB 4.23Å; I20-E876 HydrophobicContact CD1-CG 3.73Å; I20-E876 HydrophobicContact CG1-CB 4.4Å; I20-E876 HydrophobicContact CG1-CG 4.34Å; I20-E876 HydrophobicContact CG2-CB 3.96Å; I20-E876 HydrophobicContact CG2-CG 3.84Å
21Q96.8Very high95.4Very high31 Ų3169.1 Ų69.115%0.14532%0.317CS..Hα-helixtrans-62.8-43.3175.6-74.8164.113.400111.5E17 L18 K23 W24 E25 Q195 H873E17-Q21 VanDerWaalsContact O-CB 3.31Å; E17-Q21 WeakPolarHBondContact O-CB 3.25Å; E17-Q21 VanDerWaalsContact O-CD 3.3Å; E17-Q21 WeakPolarHBondContact O-CG 3.41Å; E17-Q21 PolarHBondContact O-N 3.45Å; L18-Q21 PolarHBondContact O-N 2.89Å; Q21-K23 VanDerWaalsContact C-N 3.31Å; Q21-K23 PolarHBondContact O-N 2.95Å; Q21-W24 PolarHBondContact O-N 3.44Å; Q21-E25 WeakPolarHBondContact O-CB 3.33Å; Q21-E25 PolarHBondContact O-N 3.03Å; Q21-Q195 PolarHBondContact NE2-O 2.85Å; Q21-H873 PolarHBondContact NE2-NE2 3.31Å
22E96.3Very high95.5Very high139 Ų13968 Ų6865%0.6531%0.31SS*.Hα-helixtrans-60.9-41174.6-73.7177.9-17600111.9L18 K26L18-E22 WeakPolarHBondContact O-CG 3.42Å; L18-E22 PolarHBondContact O-N 2.89Å; E22-K26 WeakPolarHBondContact O-CB 3.49Å; E22-K26 PolarHBondContact O-N 3.44Å
23K95.5Very high95.4Very high65 Ų6568.2 Ų68.228%0.28332%0.315SS..Hα-helixtrans-59.7-51.5174.4-177.8-171.5174.4-168.90111.5E19 I20 Q21 E25 K26 E27 E876E19-K23 PolarHBondContact O-N 3.03Å; E19-K23 VanDerWaalsContact O-N 3.12Å; I20-K23 WeakPolarHBondContact O-CB 3.07Å; I20-K23 PolarHBondContact O-N 2.99Å; Q21-K23 VanDerWaalsContact C-N 3.31Å; Q21-K23 PolarHBondContact O-N 2.95Å; K23-E25 PolarHBondContact O-N 3.15Å; K23-K26 PolarHBondContact O-N 2.95Å; K23-E27 WeakPolarHBondContact CE-OE1 3.48Å; K23-E27 HydrophobicContact CG-CG 4.47Å; K23-E27 WeakPolarHBondContact CG-OE1 3.41Å; K23-E27 WeakPolarHBondContact O-CB 3.24Å; K23-E27 WeakPolarHBondContact O-CG 3.39Å; K23-E27 PolarHBondContact O-N 3.44Å; K23-E876 IonicContact NZ-OE1 3.64Å; K23-E876 PolarHBondContact NZ-OE1 3.21Å
24W96.1Very high95.2Very high9 Ų968.4 Ų68.43%0.03432%0.317CS..Hα-helixtrans-64.5-37.4-178.4-67.8-26.7000113.3I20 Q21 E27 R28 A29 F30 P872 H873 E876 M889I20-W24 HydrophobicContact CG2-CD2 3.81Å; I20-W24 HydrophobicContact CG2-CE3 4.09Å; I20-W24 HydrophobicContact CG2-CH2 3.5Å; I20-W24 VanDerWaalsContact CG2-CH2 3.5Å; I20-W24 HydrophobicContact CG2-CZ2 3.18Å; I20-W24 HydrophobicContact CG2-CZ3 3.96Å; I20-W24 PolarHBondContact O-N 3.46Å; Q21-W24 PolarHBondContact O-N 3.44Å; W24-E27 PolarHBondContact O-N 3.01Å; W24-R28 PolarHBondContact O-N 3.08Å; W24-A29 HydrophobicContact CB-CB 4.08Å; W24-A29 HydrophobicContact CG-CB 4.28Å; W24-A29 PolarHBondContact O-N 3.49Å; W24-F30 HydrophobicContact CB-CE2 4.05Å; W24-F30 HydrophobicContact CB-CZ 4.36Å; W24-F30 HydrophobicContact CD2-CE2 4.06Å; W24-F30 AromaticContact CD2-CZ 3.77Å; W24-F30 HydrophobicContact CD2-CZ 3.77Å; W24-F30 AromaticContact CE3-CE2 3.87Å; W24-F30 HydrophobicContact CE3-CE2 3.87Å; W24-F30 AromaticContact CE3-CZ 3.83Å; W24-F30 HydrophobicContact CE3-CZ 3.83Å; W24-F30 HydrophobicContact CG-CE2 4.17Å; W24-F30 HydrophobicContact CG-CZ 4.02Å; W24-F30 HydrophobicContact CZ3-CZ 4.44Å; W24-P872 HydrophobicContact CH2-CB 3.71Å; W24-P872 HydrophobicContact CH2-CG 4.03Å; W24-P872 HydrophobicContact CZ2-CB 4.29Å; W24-H873 AromaticContact CH2-CD2 3.66Å; W24-H873 AromaticContact CZ3-CD2 3.49Å; W24-H873 VanDerWaalsContact CZ3-CD2 3.49Å; W24-H873 WeakPolarHBondContact CZ3-CD2 3.37Å; W24-H873 AromaticContact CZ3-NE2 3.59Å; W24-E876 HydrophobicContact CZ2-CB 4.02Å; W24-E876 HydrophobicContact CZ2-CG 4.22Å; W24-M889 HydrophobicContact CH2-CE 3.91Å; W24-M889 HydrophobicContact CZ2-CE 3.29Å
25E93.8Very high94.8Very high101 Ų10166.9 Ų66.947%0.47232%0.315SS..Hα-helixtrans-64.5-45.4175.6-172.878.2-163.400110.7Q21 K23 E27 R28 K194Q21-E25 WeakPolarHBondContact O-CB 3.33Å; Q21-E25 PolarHBondContact O-N 3.03Å; K23-E25 PolarHBondContact O-N 3.15Å; E25-E27 VanDerWaalsContact C-N 3.35Å; E25-E27 PolarHBondContact O-N 3.14Å; E25-R28 PolarHBondContact O-N 3.15Å; E25-K194 IonicContact OE1-NZ 2.87Å; E25-K194 PolarHBondContact OE1-NZ 3.02Å; E25-K194 IonicContact OE2-NZ 2.8Å; E25-K194 PolarHBondContact OE2-NZ 3.43Å
26K95.3Very high93.8Very high187 Ų18764.9 Ų64.981%0.81332%0.317SS*.Hα-helixtrans-64.1-39.2177.7-175.3179.4178.5-178.80112.5E22 K23 R28E22-K26 WeakPolarHBondContact O-CB 3.49Å; E22-K26 PolarHBondContact O-N 3.44Å; K23-K26 PolarHBondContact O-N 2.95Å; K26-R28 VanDerWaalsContact C-N 3.26Å; K26-R28 PolarHBondContact O-N 2.9Å
27E95Very high92.2Very high98 Ų9867.9 Ų67.946%0.45834%0.336SS..Hα-helixtrans-78.5-8.8177.8-70.8178.6-176.200113.2K23 W24 E25 A29K23-E27 WeakPolarHBondContact CE-OE1 3.48Å; K23-E27 HydrophobicContact CG-CG 4.47Å; K23-E27 WeakPolarHBondContact CG-OE1 3.41Å; K23-E27 WeakPolarHBondContact O-CB 3.24Å; K23-E27 WeakPolarHBondContact O-CG 3.39Å; K23-E27 PolarHBondContact O-N 3.44Å; W24-E27 PolarHBondContact O-N 3.01Å; E25-E27 VanDerWaalsContact C-N 3.35Å; E25-E27 PolarHBondContact O-N 3.14Å; E27-A29 PolarHBondContact O-N 2.97Å
28R95.9Very high90Very high166 Ų16673.9 Ų73.963%0.62637%0.372SS*.THydrogen-bonded Turntrans50.343.4-172.2-62.6177.9175.7-174.90.2111.7W24 E25 K26 F30 E31W24-R28 PolarHBondContact O-N 3.08Å; E25-R28 PolarHBondContact O-N 3.15Å; K26-R28 VanDerWaalsContact C-N 3.26Å; K26-R28 PolarHBondContact O-N 2.9Å; R28-F30 PolarHBondContact O-N 2.82Å; R28-E31 HydrophobicContact CB-CB 4.33Å; R28-E31 HydrophobicContact CB-CG 4.06Å; R28-E31 WeakPolarHBondContact CD-OE2 3.4Å; R28-E31 IonicContact NE-OE1 2.63Å; R28-E31 PolarHBondContact O-N 3.17Å; R28-E31 VanDerWaalsContact O-N 3.15Å
29A92.5Very high87.6Confident36 Ų3672.7 Ų72.730%0.29838%0.383SS..THydrogen-bonded Turntrans-61.4-18.9-164.900000114.9W24 E27W24-A29 HydrophobicContact CB-CB 4.08Å; W24-A29 HydrophobicContact CG-CB 4.28Å; W24-A29 PolarHBondContact O-N 3.49Å; E27-A29 PolarHBondContact O-N 2.97Å
30F95.9Very high85.3Confident29 Ų2974.2 Ų74.213%0.12739%0.39CS..THydrogen-bonded Turntrans-116.16.3-175.6-48.9-51.2000113.8W24 R28 N32 K199 M889W24-F30 HydrophobicContact CB-CE2 4.05Å; W24-F30 HydrophobicContact CB-CZ 4.36Å; W24-F30 HydrophobicContact CD2-CE2 4.06Å; W24-F30 AromaticContact CD2-CZ 3.77Å; W24-F30 HydrophobicContact CD2-CZ 3.77Å; W24-F30 AromaticContact CE3-CE2 3.87Å; W24-F30 HydrophobicContact CE3-CE2 3.87Å; W24-F30 AromaticContact CE3-CZ 3.83Å; W24-F30 HydrophobicContact CE3-CZ 3.83Å; W24-F30 HydrophobicContact CG-CE2 4.17Å; W24-F30 HydrophobicContact CG-CZ 4.02Å; W24-F30 HydrophobicContact CZ3-CZ 4.44Å; R28-F30 PolarHBondContact O-N 2.82Å; F30-N32 PolarHBondContact O-N 2.53Å; F30-K199 HydrophobicContact CD1-CB 3.88Å; F30-K199 HydrophobicContact CD1-CG 4.03Å; F30-K199 HydrophobicContact CE1-CB 4.05Å; F30-K199 HydrophobicContact CE1-CD 4.17Å; F30-K199 HydrophobicContact CE1-CG 3.66Å; F30-K199 HydrophobicContact CE2-CG 4.43Å; F30-K199 HydrophobicContact CG-CB 4.15Å; F30-K199 HydrophobicContact CZ-CB 4.44Å; F30-K199 HydrophobicContact CZ-CG 3.88Å; F30-M889 HydrophobicContact CE1-CG 3.94Å; F30-M889 HydrophobicContact CE1-SD 3.96Å; F30-M889 HydrophobicContact CZ-CG 4.32Å; F30-M889 HydrophobicContact CZ-SD 4.34Å
31E96Very high82.9Confident58 Ų5876.5 Ų76.527%0.27141%0.405SS..  trans-81.7108174.8-68.4-174.4-165.600110.2R28 R203R28-E31 HydrophobicContact CB-CB 4.33Å; R28-E31 HydrophobicContact CB-CG 4.06Å; R28-E31 WeakPolarHBondContact CD-OE2 3.4Å; R28-E31 IonicContact NE-OE1 2.63Å; R28-E31 PolarHBondContact O-N 3.17Å; R28-E31 VanDerWaalsContact O-N 3.15Å; E31-R203 VanDerWaalsContact CD-CD 3.42Å; E31-R203 HydrophobicContact CG-CG 4.46Å; E31-R203 VanDerWaalsContact OE2-CD 3.28Å; E31-R203 WeakPolarHBondContact OE2-CD 3.37Å; E31-R203 IonicContact OE2-CZ 2.77Å; E31-R203 IonicContact OE2-NE 2.81Å; E31-R203 PolarHBondContact OE2-NE 3.11Å; E31-R203 IonicContact OE2-NH1 3.59Å
32N92.5Very high80.7Confident50 Ų5079.1 Ų79.127%0.26743%0.427SS..  trans-117.7125.2-178.4-69.9-49.3000111.2F30 C85 R204 W673F30-N32 PolarHBondContact O-N 2.53Å; N32-C85 PolarHBondContact ND2-O 3.07Å; N32-R204 PolarHBondContact O-NH2 3.01Å; N32-W673 HydrophobicContact CB-CH2 4.16Å; N32-W673 HydrophobicContact CB-CZ2 4.03Å
33D92.5Very high78.7Confident61 Ų6177.4 Ų77.433%0.32642%0.422SS..PPolyproline II helixtrans-102.8156.9172.7-69.60.8000109.8R203 H616 R665D33-R203 IonicContact OD1-CZ 3.29Å; D33-R203 IonicContact OD1-NH1 2.67Å; D33-R203 PolarHBondContact OD1-NH1 2.88Å; D33-R203 IonicContact OD1-NH2 2.65Å; D33-R203 PolarHBondContact OD1-NH2 3.08Å; D33-H616 IonicContact OD1-CD2 3.32Å; D33-H616 IonicContact OD1-NE2 3.95Å; D33-R665 IonicContact OD2-NH2 2.82Å; D33-R665 PolarHBondContact OD2-NH2 3.49Å
34A90.4Very high77.1Confident7 Ų783.3 Ų83.36%0.05845%0.448CS..PPolyproline II helixtrans-69.7138.4172.500000110.8E669 Y672A34-E669 HydrophobicContact CB-CG 4.31Å; A34-E669 WeakPolarHBondContact CB-OE1 3.36Å; A34-E669 PolarHBondContact N-OE1 3.45Å; A34-E669 PolarHBondContact N-OE2 3.32Å; A34-Y672 HydrophobicContact CB-CD1 3.71Å; A34-Y672 HydrophobicContact CB-CG 3.86Å
35P85.2Confident76.4Confident24 Ų2487.2 Ų87.216%0.15647%0.469CS..PPolyproline II helixtrans-54144.4179.9-25.833.5000113.5E40 R668 Y672P35-E40 HydrophobicContact CB-CB 3.93Å; P35-E40 HydrophobicContact CG-CB 4.48Å; P35-R668 WeakPolarHBondContact O-CD 3.29Å; P35-R668 PolarHBondContact O-NE 3.07Å; P35-Y672 VanDerWaalsContact CD-CE2 3.48Å; P35-Y672 VanDerWaalsContact CD-CZ 3.48Å; P35-Y672 HydrophobicContact CG-CD2 4.4Å; P35-Y672 HydrophobicContact CG-CE2 3.81Å
36S75.8Confident76.4Confident88 Ų8883.1 Ų83.162%0.61545%0.45SS*.  trans-92.4-14.7-176.858.20000114.4
37T62.2Low76.5Confident70 Ų7074.9 Ų74.943%0.42941%0.414SS..SBendtrans-104.2138.3-175.370.10000113.2G39 E40 T41T37-G39 VanDerWaalsContact C-N 3.25Å; T37-G39 PolarHBondContact O-N 3.46Å; T37-E40 PolarHBondContact O-N 3.32Å; T37-E40 WeakPolarHBondContact OG1-CG 3.36Å; T37-E40 PolarHBondContact OG1-OE2 3.06Å; T37-T41 WeakPolarHBondContact O-CG2 3.31Å
38V51.1Low76.6Confident132 Ų13270.2 Ų70.280%0.839%0.392SS*.THydrogen-bonded Turntrans-63.5-25.4-172.5-175.80000113.1T41V38-T41 PolarHBondContact O-OG1 2.87Å
39G47.7Very low76.7Confident69 Ų6962.3 Ų62.371%0.71136%0.362SS*.THydrogen-bonded Turntrans-75.2-27.7177.500000114.8T37T37-G39 VanDerWaalsContact C-N 3.25Å; T37-G39 PolarHBondContact O-N 3.46Å
40E47.5Very low77Confident123 Ų12360.6 Ų60.658%0.57535%0.348SS*.THydrogen-bonded Turntrans-85.8-11.1177.8-68.1173.3154.400112.6P35 T37 S42P35-E40 HydrophobicContact CB-CB 3.93Å; P35-E40 HydrophobicContact CG-CB 4.48Å; T37-E40 PolarHBondContact O-N 3.32Å; T37-E40 WeakPolarHBondContact OG1-CG 3.36Å; T37-E40 PolarHBondContact OG1-OE2 3.06Å; E40-S42 PolarHBondContact O-N 3.04Å
41T46.8Very low77.1Confident63 Ų6359.7 Ų59.739%0.38734%0.344SS..THydrogen-bonded Turntrans-77.27.2-178.759.70000114.9T37 V38 N43T37-T41 WeakPolarHBondContact O-CG2 3.31Å; V38-T41 PolarHBondContact O-OG1 2.87Å; T41-N43 PolarHBondContact O-N 3.22Å
42S50.1Low77.2Confident87 Ų8757.4 Ų57.461%0.60833%0.334SS*.SBendtrans-75.76817671.90000112E40 K44E40-S42 PolarHBondContact O-N 3.04Å; S42-K44 WeakPolarHBondContact O-CB 3.33Å; S42-K44 PolarHBondContact O-N 3.47Å
43N54.2Low77.4Confident103 Ų10355.5 Ų55.555%0.55132%0.323SS*.SBendtrans31.66.2153-137.610.1000122.6T41T41-N43 PolarHBondContact O-N 3.22Å
44K61.9Low77.5Confident189 Ų18953 Ų5382%0.82231%0.31SS*.SBendtrans-112.2-12.7-162.7-69.8-170.1178.8-176.90115.2S42S42-K44 WeakPolarHBondContact O-CB 3.33Å; S42-K44 PolarHBondContact O-N 3.47Å
45N82.1Confident77.6Confident91 Ų9155.8 Ų55.849%0.48732%0.32SS..SBendtrans-122.220.2-171.5-152.729.3000114.8G82 K83 N84N45-G82 PolarHBondContact ND2-O 3.26Å; N45-G82 PolarHBondContact OD1-O 2.94Å; N45-K83 CarbonylContact O-C 3.56Å; N45-K83 WeakPolarHBondContact O-CA 3.45Å; N45-N84 PolarHBondContact O-N 3Å
46K93.3Very high78Confident14 Ų1454.7 Ų54.76%0.06131%0.313CS..EExtended strand (participates in β ladder)trans-95.9156.2174.171.592-179.1173.30111.7F48 N84 Y672 W673 P675 D677K46-F48 HydrophobicContact CD-CB 4.46Å; K46-N84 CarbonylContact C-O 3.52Å; K46-N84 WeakPolarHBondContact CA-O 3.45Å; K46-Y672 HydrophobicContact CB-CE1 3.95Å; K46-Y672 HydrophobicContact CB-CE2 4.42Å; K46-W673 HydrophobicContact CB-CE3 4.21Å; K46-W673 HydrophobicContact CB-CZ3 4.14Å; K46-W673 HydrophobicContact CD-CE3 4.49Å; K46-W673 WeakPolarHBondContact CD-O 3.41Å; K46-W673 VanDerWaalsContact CE-O 3.26Å; K46-W673 WeakPolarHBondContact CE-O 3.44Å; K46-W673 PolarHBondContact NZ-O 2.83Å; K46-P675 PolarHBondContact NZ-O 2.97Å; K46-D677 WeakPolarHBondContact CD-OD2 3.27Å; K46-D677 WeakPolarHBondContact CE-OD2 3.32Å; K46-D677 IonicContact NZ-OD1 2.72Å; K46-D677 PolarHBondContact NZ-OD1 2.97Å; K46-D677 IonicContact NZ-OD2 3.65Å; K46-D677 PolarHBondContact NZ-OD2 3.3Å
47Y97.1Very high78.4Confident14 Ų1454 Ų546%0.05530%0.302CS..EExtended strand (participates in β ladder)trans-144.799.7172.5-165-112.2000111.5V49 A74 V75 Q78 K83 N84 C85 L86 D677 V678 M823Y47-V49 HydrophobicContact CD1-CG1 3.64Å; Y47-V49 HydrophobicContact CE1-CG1 3.15Å; Y47-A74 HydrophobicContact CE1-CB 4Å; Y47-V75 HydrophobicContact CD1-CG1 4.17Å; Y47-V75 HydrophobicContact CE1-CG1 4.38Å; Y47-Q78 HydrophobicContact CD1-CB 3.72Å; Y47-Q78 HydrophobicContact CD1-CG 3.7Å; Y47-Q78 HydrophobicContact CD2-CG 4.23Å; Y47-Q78 HydrophobicContact CE1-CB 4.07Å; Y47-Q78 HydrophobicContact CE1-CG 3.54Å; Y47-Q78 HydrophobicContact CE2-CG 4.09Å; Y47-Q78 HydrophobicContact CG-CB 4.04Å; Y47-Q78 HydrophobicContact CG-CG 4.03Å; Y47-K83 HydrophobicContact CD2-CD 4.19Å; Y47-K83 HydrophobicContact CG-CD 4.28Å; Y47-N84 PolarHBondContact N-O 2.88Å; Y47-C85 CarbonylContact O-C 3.56Å; Y47-C85 VanDerWaalsContact O-CA 3.32Å; Y47-C85 WeakPolarHBondContact O-CA 3.11Å; Y47-L86 PolarHBondContact O-N 3.29Å; Y47-D677 VanDerWaalsContact CA-OD2 3.29Å; Y47-D677 WeakPolarHBondContact CA-OD2 3.28Å; Y47-D677 HydrophobicContact CD2-CB 4.1Å; Y47-D677 HydrophobicContact CE2-CB 4.12Å; Y47-V678 HydrophobicContact CE2-CG2 4.14Å; Y47-V678 VanDerWaalsContact OH-CG2 3.27Å; Y47-V678 WeakPolarHBondContact OH-CG2 3.47Å; Y47-M823 WeakPolarHBondContact OH-CE 3.36Å
48F98.3Very high79.6Confident0 Ų051.5 Ų51.50%029%0.29CS..EExtended strand (participates in β ladder)trans-102.5109.9-177.8-178.4-157.6000110.7K46 T50 L86 P88 M609 Y612 T613 W673 Y674 V676 D677 V678K46-F48 HydrophobicContact CD-CB 4.46Å; F48-T50 HydrophobicContact CD2-CG2 4.22Å; F48-T50 HydrophobicContact CE2-CG2 3.49Å; F48-T50 VanDerWaalsContact CE2-CG2 3.49Å; F48-T50 HydrophobicContact CZ-CG2 3.69Å; F48-L86 HydrophobicContact CD2-CB 4.09Å; F48-L86 HydrophobicContact CD2-CD2 3.82Å; F48-L86 HydrophobicContact CD2-CG 3.81Å; F48-L86 HydrophobicContact CE2-CD2 3.91Å; F48-L86 HydrophobicContact CE2-CG 4.07Å; F48-L86 HydrophobicContact CG-CD2 4.35Å; F48-L86 HydrophobicContact CZ-CD2 4.45Å; F48-P88 HydrophobicContact CE2-CG 3.62Å; F48-P88 HydrophobicContact CZ-CG 4.36Å; F48-M609 HydrophobicContact CE1-CB 4.37Å; F48-M609 HydrophobicContact CZ-CB 4.16Å; F48-M609 WeakPolarHBondContact CZ-O 3.45Å; F48-Y612 HydrophobicContact CZ-CD2 4.23Å; F48-T613 HydrophobicContact CE1-CG2 4.15Å; F48-T613 HydrophobicContact CZ-CG2 4.5Å; F48-W673 HydrophobicContact CB-CE3 4.4Å; F48-W673 HydrophobicContact CD1-CB 4.3Å; F48-W673 WeakPolarHBondContact CD1-O 3.41Å; F48-Y674 HydrophobicContact CD1-CD2 4.25Å; F48-Y674 AromaticContact CE1-CD2 3.83Å; F48-Y674 HydrophobicContact CE1-CD2 3.83Å; F48-Y674 AromaticContact CE1-CE2 3.77Å; F48-Y674 HydrophobicContact CE1-CE2 3.77Å; F48-V676 HydrophobicContact CD1-CG2 4.2Å; F48-V676 HydrophobicContact CE1-CG2 3.94Å; F48-D677 PolarHBondContact N-OD2 2.94Å; F48-D677 WeakPolarHBondContact O-CB 3.22Å; F48-D677 PolarHBondContact O-N 3.35Å; F48-V678 PolarHBondContact O-N 2.8Å
49V98.3Very high81.5Confident0 Ų048.7 Ų48.70%027%0.265CS..EExtended strand (participates in β ladder)trans-112149.9177.2-550000111.7Y47 C71 V75 L86 F87 P88 V678Y47-V49 HydrophobicContact CD1-CG1 3.64Å; Y47-V49 HydrophobicContact CE1-CG1 3.15Å; V49-C71 HydrophobicContact CB-CB 4.48Å; V49-C71 HydrophobicContact CG2-CB 3.99Å; V49-V75 HydrophobicContact CB-CG1 4.46Å; V49-V75 HydrophobicContact CG1-CG1 4.19Å; V49-V75 HydrophobicContact CG2-CG1 3.42Å; V49-V75 VanDerWaalsContact CG2-CG1 3.42Å; V49-L86 PolarHBondContact N-O 3.46Å; V49-F87 HydrophobicContact CG2-CB 3.83Å; V49-F87 HydrophobicContact CG2-CD2 3.78Å; V49-F87 HydrophobicContact CG2-CG 3.88Å; V49-P88 WeakPolarHBondContact O-CD 3.45Å; V49-V678 CarbonylContact C-O 3.5Å; V49-V678 VanDerWaalsContact CA-O 3.27Å; V49-V678 WeakPolarHBondContact CA-O 3.24Å; V49-V678 HydrophobicContact CG1-CB 4.1Å
50T98.6Very high83.8Confident0 Ų045.4 Ų45.40%023%0.231CC..EExtended strand (participates in β ladder)trans-137.3141.9176.762.90000112.5F48 M609 Y612 V676 V678 R679 V680F48-T50 HydrophobicContact CD2-CG2 4.22Å; F48-T50 HydrophobicContact CE2-CG2 3.49Å; F48-T50 VanDerWaalsContact CE2-CG2 3.49Å; F48-T50 HydrophobicContact CZ-CG2 3.69Å; T50-M609 HydrophobicContact CG2-CB 4.11Å; T50-M609 HydrophobicContact CG2-CG 3.95Å; T50-Y612 HydrophobicContact CG2-CD2 4.08Å; T50-Y612 HydrophobicContact CG2-CE2 4.06Å; T50-V676 HydrophobicContact CG2-CG1 4.26Å; T50-V678 PolarHBondContact N-O 3.3Å; T50-R679 WeakPolarHBondContact O-CA 3.34Å; T50-R679 WeakPolarHBondContact OG1-CG 3.37Å; T50-R679 PolarHBondContact OG1-NH1 3.02Å; T50-V680 PolarHBondContact O-N 3.08Å
51F98.5Very high86Confident11 Ų1142.1 Ų42.15%0.04822%0.216CC..  trans-102.6139.5164.3176.8-111.4000108.7Y53 P54 L68 F87 F89 Y608F51-Y53 PolarHBondContact O-N 2.81Å; F51-P54 HydrophobicContact CE1-CB 4.49Å; F51-P54 HydrophobicContact CE1-CG 4.31Å; F51-L68 HydrophobicContact CB-CB 4.35Å; F51-L68 HydrophobicContact CD1-CB 4.04Å; F51-L68 HydrophobicContact CD2-CB 3.8Å; F51-L68 HydrophobicContact CE1-CB 4.27Å; F51-L68 HydrophobicContact CE2-CB 4.07Å; F51-L68 HydrophobicContact CG-CB 3.79Å; F51-L68 HydrophobicContact CZ-CB 4.29Å; F51-F87 HydrophobicContact CB-CE2 4.26Å; F51-F89 HydrophobicContact CB-CE2 4.33Å; F51-F89 HydrophobicContact CD1-CD2 4.45Å; F51-F89 AromaticContact CD1-CE2 3.44Å; F51-F89 HydrophobicContact CD1-CE2 3.44Å; F51-F89 VanDerWaalsContact CD1-CE2 3.44Å; F51-F89 AromaticContact CD1-CZ 3.55Å; F51-F89 HydrophobicContact CD1-CZ 3.55Å; F51-F89 HydrophobicContact CE1-CE2 4.15Å; F51-F89 AromaticContact CE1-CZ 3.87Å; F51-F89 HydrophobicContact CE1-CZ 3.87Å; F51-F89 HydrophobicContact CG-CE2 4.25Å; F51-Y608 PolarHBondContact O-OH 3.28Å; F51-Y608 VanDerWaalsContact O-OH 3.11Å
52P97.9Very high88.3Confident10 Ų1039.1 Ų39.17%0.06520%0.197CC..  trans-54.3106.2165-27.236.2000110Y608 V680 L685P52-Y608 WeakPolarHBondContact CA-OH 3.22Å; P52-V680 WeakPolarHBondContact CD-O 3.05Å; P52-L685 HydrophobicContact CB-CD1 3.9Å; P52-L685 HydrophobicContact CG-CD1 4.03Å
53Y96.9Very high90.4Very high9 Ų935.4 Ų35.44%0.03517%0.173CC..  trans-43.1122.717260.1-40.9000111.5F51 G90 H92 T208 S605 Y608F51-Y53 PolarHBondContact O-N 2.81Å; Y53-G90 WeakPolarHBondContact CB-O 3.38Å; Y53-H92 VanDerWaalsContact CD2-CA 3.46Å; Y53-H92 HydrophobicContact CD2-CB 3.33Å; Y53-H92 AromaticContact CD2-CG 3.7Å; Y53-H92 AromaticContact CE1-ND1 3.92Å; Y53-H92 HydrophobicContact CE2-CB 3.44Å; Y53-H92 VanDerWaalsContact CE2-CB 3.44Å; Y53-H92 AromaticContact CE2-CD2 3.44Å; Y53-H92 VanDerWaalsContact CE2-CD2 3.44Å; Y53-H92 WeakPolarHBondContact CE2-CD2 3.35Å; Y53-H92 AromaticContact CE2-CG 3.23Å; Y53-H92 AromaticContact CE2-ND1 3.65Å; Y53-H92 AromaticContact CE2-NE2 3.95Å; Y53-H92 HydrophobicContact CG-CB 3.92Å; Y53-H92 AromaticContact CZ-CD2 3.86Å; Y53-H92 AromaticContact CZ-CE1 3.7Å; Y53-H92 AromaticContact CZ-CG 3.66Å; Y53-H92 AromaticContact CZ-ND1 3.57Å; Y53-H92 AromaticContact CZ-NE2 3.88Å; Y53-H92 PolarHBondContact OH-CE1 3.04Å; Y53-H92 PolarHBondContact OH-NE2 3.24Å; Y53-T208 HydrophobicContact CD2-CG2 3.69Å; Y53-T208 HydrophobicContact CE2-CG2 3.21Å; Y53-S605 WeakPolarHBondContact OH-CA 3.36Å; Y53-S605 WeakPolarHBondContact OH-CB 3.43Å; Y53-Y608 HydrophobicContact CD1-CD1 4.19Å; Y53-Y608 HydrophobicContact CD1-CD2 4.41Å; Y53-Y608 AromaticContact CD1-CE1 3.45Å; Y53-Y608 HydrophobicContact CD1-CE1 3.45Å; Y53-Y608 VanDerWaalsContact CD1-CE1 3.45Å; Y53-Y608 AromaticContact CD1-CE2 3.69Å; Y53-Y608 HydrophobicContact CD1-CE2 3.69Å; Y53-Y608 AromaticContact CD1-CZ 3.16Å; Y53-Y608 WeakPolarHBondContact CD1-OH 3.48Å; Y53-Y608 AromaticContact CE1-CD1 3.52Å; Y53-Y608 HydrophobicContact CE1-CD1 3.52Å; Y53-Y608 HydrophobicContact CE1-CD2 4.36Å; Y53-Y608 AromaticContact CE1-CE1 3.09Å; Y53-Y608 HydrophobicContact CE1-CE1 3.09Å; Y53-Y608 AromaticContact CE1-CE2 4Å; Y53-Y608 HydrophobicContact CE1-CE2 4Å; Y53-Y608 HydrophobicContact CE1-CG 4.14Å; Y53-Y608 AromaticContact CE1-CZ 3.38Å; Y53-Y608 HydrophobicContact CG-CE2 4.1Å; Y53-Y608 PolarHBondContact N-OH 2.95Å
54P94.7Very high92.4Very high8 Ų832.8 Ų32.85%0.05216%0.157CC..  trans-78.3155.6-17328.8-31.3000111.6F51 M56 L60 F89 H92F51-P54 HydrophobicContact CE1-CB 4.49Å; F51-P54 HydrophobicContact CE1-CG 4.31Å; P54-M56 HydrophobicContact CB-CE 4.25Å; P54-M56 HydrophobicContact CG-CE 3.72Å; P54-M56 WeakPolarHBondContact O-CE 3.37Å; P54-L60 HydrophobicContact CB-CD2 3.68Å; P54-L60 HydrophobicContact CG-CD2 3.43Å; P54-L60 VanDerWaalsContact CG-CD2 3.43Å; P54-F89 VanDerWaalsContact CD-CE1 3.46Å; P54-F89 HydrophobicContact CG-CE1 3.86Å; P54-F89 HydrophobicContact CG-CZ 3.98Å; P54-H92 VanDerWaalsContact O-CB 3.32Å; P54-H92 WeakPolarHBondContact O-CB 3.42Å; P54-H92 PolarHBondContact O-N 2.83Å
55Y91.1Very high94.1Very high67 Ų6723.8 Ų23.826%0.26312%0.118SC..BIsolated β-bridgetrans-67.1137.8173.9-73.4-72.4000112.2N57 H92 T94 S601Y55-N57 VanDerWaalsContact C-N 3.33Å; Y55-N57 PolarHBondContact O-N 3.33Å; Y55-H92 CarbonylContact C-O 3.54Å; Y55-H92 WeakPolarHBondContact CA-O 3.49Å; Y55-H92 HydrophobicContact CD1-CB 4.21Å; Y55-H92 AromaticContact CE1-CE1 3.82Å; Y55-H92 AromaticContact CE1-CG 3.92Å; Y55-H92 AromaticContact CE1-ND1 3.66Å; Y55-H92 AromaticContact CZ-ND1 3.93Å; Y55-T94 WeakPolarHBondContact CE1-O 3.37Å; Y55-S601 VanDerWaalsContact OH-CB 3.25Å; Y55-S601 WeakPolarHBondContact OH-CB 3.18Å; Y55-S601 PolarHBondContact OH-OG 3.49Å
56M93.6Very high94.9Very high1 Ų119.4 Ų19.41%0.00510%0.095CC..SBendtrans-93.435.8-176.3-64.9-66.6110.300113.9P54 G58 L60 L91 H92 I98 F185 P186 A189P54-M56 HydrophobicContact CB-CE 4.25Å; P54-M56 HydrophobicContact CG-CE 3.72Å; P54-M56 WeakPolarHBondContact O-CE 3.37Å; M56-G58 VanDerWaalsContact C-N 3.29Å; M56-L60 HydrophobicContact CE-CD2 4.37Å; M56-L91 HydrophobicContact CE-CB 4.26Å; M56-L91 HydrophobicContact CE-CD2 3.65Å; M56-L91 HydrophobicContact CG-CB 3.87Å; M56-L91 HydrophobicContact SD-CB 3.93Å; M56-L91 HydrophobicContact SD-CD2 3.82Å; M56-L91 HydrophobicContact SD-CG 4.32Å; M56-H92 PolarHBondContact N-O 2.79Å; M56-I98 HydrophobicContact CB-CD1 4.32Å; M56-F185 HydrophobicContact CB-CB 4.45Å; M56-P186 HydrophobicContact CB-CG 4.2Å; M56-P186 HydrophobicContact CG-CG 3.92Å; M56-P186 HydrophobicContact SD-CB 4.37Å; M56-P186 HydrophobicContact SD-CG 4.1Å; M56-A189 HydrophobicContact CE-CB 4.27Å; M56-A189 HydrophobicContact SD-CB 4.07Å
57N84.4Confident95.1Very high74 Ų7419.5 Ų19.540%0.39610%0.097SC..SBendtrans-91.815.3175.768.1-39.4000113.2Y55 P97 I98Y55-N57 VanDerWaalsContact C-N 3.33Å; Y55-N57 PolarHBondContact O-N 3.33Å; N57-P97 HydrophobicContact CB-CB 4.45Å; N57-I98 HydrophobicContact CB-CG1 3.95Å
58G88.3Confident95.1Very high17 Ų1718.9 Ų18.918%0.17510%0.095CC..SBendtrans169.1178.6-17900000112.1M56M56-G58 VanDerWaalsContact C-N 3.29Å
59R91.2Very high95.1Very high72 Ų7218.9 Ų18.927%0.27210%0.095SC..  trans-70.4151.5172.2-74.1-173175.5-1118.6111.9F185 D192R59-F185 HydrophobicContact CG-CD1 4.42Å; R59-F185 HydrophobicContact CG-CE1 4.4Å; R59-D192 IonicContact CZ-OD2 3.39Å; R59-D192 IonicContact NH1-OD1 3.51Å; R59-D192 PolarHBondContact NH1-OD1 3.49Å; R59-D192 IonicContact NH1-OD2 2.75Å; R59-D192 PolarHBondContact NH1-OD2 3.04Å
60L94.9Very high95.1Very high1 Ų118.9 Ų18.91%0.00510%0.095CC..  trans-64.5137.6174.7-58.6-179.5000110.9P54 M56 H64 A189 L193 L735P54-L60 HydrophobicContact CB-CD2 3.68Å; P54-L60 HydrophobicContact CG-CD2 3.43Å; P54-L60 VanDerWaalsContact CG-CD2 3.43Å; M56-L60 HydrophobicContact CE-CD2 4.37Å; L60-H64 HydrophobicContact CB-CB 4.47Å; L60-H64 HydrophobicContact CD2-CB 4.43Å; L60-A189 HydrophobicContact CD1-CB 4.34Å; L60-A189 HydrophobicContact CG-CB 4.42Å; L60-L193 HydrophobicContact CD1-CD1 4.07Å; L60-L193 HydrophobicContact CD1-CD2 4.03Å; L60-L193 HydrophobicContact CD1-CG 3.98Å; L60-L735 HydrophobicContact CB-CB 4.36Å; L60-L735 PolarHBondContact O-N 3.32Å
61H93.3Very high95.1Very high53 Ų5318.9 Ų18.925%0.24510%0.095CC..BIsolated β-bridgetrans-107.1168.8175.262.554.2000112.3G63 H64 T65 F732H61-G63 WeakPolarHBondContact ND1-CA 3.23Å; H61-G63 PolarHBondContact ND1-N 3.36Å; H61-G63 VanDerWaalsContact ND1-N 3.13Å; H61-G63 PolarHBondContact O-N 2.81Å; H61-G63 VanDerWaalsContact O-N 3.08Å; H61-H64 AromaticContact CD2-CE1 3.51Å; H61-H64 AromaticContact CD2-ND1 3.84Å; H61-H64 AromaticContact CE1-CD2 3.67Å; H61-H64 AromaticContact CE1-CE1 3.53Å; H61-H64 AromaticContact CE1-CG 3.74Å; H61-H64 AromaticContact CE1-ND1 3.67Å; H61-H64 AromaticContact CE1-NE2 3.53Å; H61-H64 AromaticContact CG-CE1 3.95Å; H61-H64 AromaticContact CG-ND1 3.8Å; H61-H64 PolarHBondContact N-ND1 3.28Å; H61-H64 AromaticContact ND1-CE1 3.95Å; H61-H64 AromaticContact ND1-CG 3.87Å; H61-H64 PolarHBondContact ND1-N 2.98Å; H61-H64 AromaticContact ND1-ND1 3.69Å; H61-H64 AromaticContact NE2-CE1 3.25Å; H61-H64 PolarHBondContact NE2-CE1 3.38Å; H61-H64 VanDerWaalsContact NE2-CE1 3.25Å; H61-H64 AromaticContact NE2-ND1 3.79Å; H61-H64 AromaticContact NE2-NE2 3.43Å; H61-H64 PolarHBondContact NE2-NE2 2.98Å; H61-H64 WeakPolarHBondContact O-CB 3.35Å; H61-H64 PolarHBondContact O-N 2.83Å; H61-T65 PolarHBondContact O-N 3.46Å; H61-F732 HydrophobicContact CB-CE1 4.02Å; H61-F732 HydrophobicContact CB-CE2 3.94Å; H61-F732 HydrophobicContact CB-CZ 3.39Å; H61-F732 AromaticContact CD2-CZ 3.93Å; H61-F732 AromaticContact CG-CZ 3.96Å
62L95Very high95Very high0 Ų018.4 Ų18.40%09%0.093CC..Hα-helixtrans-57.4-29.4-174.5-157.269.8000113.9H64 T65 F66 L718 L720 M725 L733 A738 M747 L751 F763L62-H64 VanDerWaalsContact C-N 3.34Å; L62-H64 PolarHBondContact O-N 2.87Å; L62-T65 WeakPolarHBondContact CA-OG1 3.39Å; L62-T65 WeakPolarHBondContact CD1-OG1 3.02Å; L62-T65 PolarHBondContact O-N 3.22Å; L62-T65 PolarHBondContact O-OG1 3.44Å; L62-F66 PolarHBondContact O-N 2.88Å; L62-L718 HydrophobicContact CB-CD2 3.89Å; L62-L718 HydrophobicContact CD2-CD2 3.82Å; L62-L718 HydrophobicContact CG-CD2 3.58Å; L62-L718 WeakPolarHBondContact O-CD2 3.5Å; L62-L720 HydrophobicContact CD2-CD1 4.48Å; L62-M725 HydrophobicContact CB-SD 4.11Å; L62-L733 PolarHBondContact N-O 3.31Å; L62-A738 HydrophobicContact CD1-CB 3.66Å; L62-M747 HydrophobicContact CD1-CG 4.16Å; L62-M747 HydrophobicContact CD1-SD 3.97Å; L62-L751 HydrophobicContact CD1-CD2 4.38Å; L62-L751 HydrophobicContact CG-CD2 4.32Å; L62-F763 HydrophobicContact CD2-CB 3.93Å; L62-F763 HydrophobicContact CD2-CD1 3.76Å; L62-F763 HydrophobicContact CD2-CD2 3.8Å; L62-F763 HydrophobicContact CD2-CE1 4.19Å; L62-F763 HydrophobicContact CD2-CE2 4.21Å; L62-F763 HydrophobicContact CD2-CG 3.55Å; L62-F763 HydrophobicContact CD2-CZ 4.39Å
63G94.4Very high95.1Very high9 Ų917.9 Ų17.99%0.0939%0.09CC..Hα-helixtrans-62.4-35.1172.500000114.5H61 S67H61-G63 WeakPolarHBondContact ND1-CA 3.23Å; H61-G63 PolarHBondContact ND1-N 3.36Å; H61-G63 VanDerWaalsContact ND1-N 3.13Å; H61-G63 PolarHBondContact O-N 2.81Å; H61-G63 VanDerWaalsContact O-N 3.08Å; G63-S67 PolarHBondContact O-N 3.48Å; G63-S67 PolarHBondContact O-OG 3.06Å
64H96.6Very high95.1Very high48 Ų4817.6 Ų17.622%0.2229%0.089CC..Hα-helixtrans-68.3-43.6172.9-58.8137.6000110.2L60 H61 L62 F66 S67 L68L60-H64 HydrophobicContact CB-CB 4.47Å; L60-H64 HydrophobicContact CD2-CB 4.43Å; H61-H64 AromaticContact CD2-CE1 3.51Å; H61-H64 AromaticContact CD2-ND1 3.84Å; H61-H64 AromaticContact CE1-CD2 3.67Å; H61-H64 AromaticContact CE1-CE1 3.53Å; H61-H64 AromaticContact CE1-CG 3.74Å; H61-H64 AromaticContact CE1-ND1 3.67Å; H61-H64 AromaticContact CE1-NE2 3.53Å; H61-H64 AromaticContact CG-CE1 3.95Å; H61-H64 AromaticContact CG-ND1 3.8Å; H61-H64 PolarHBondContact N-ND1 3.28Å; H61-H64 AromaticContact ND1-CE1 3.95Å; H61-H64 AromaticContact ND1-CG 3.87Å; H61-H64 PolarHBondContact ND1-N 2.98Å; H61-H64 AromaticContact ND1-ND1 3.69Å; H61-H64 AromaticContact NE2-CE1 3.25Å; H61-H64 PolarHBondContact NE2-CE1 3.38Å; H61-H64 VanDerWaalsContact NE2-CE1 3.25Å; H61-H64 AromaticContact NE2-ND1 3.79Å; H61-H64 AromaticContact NE2-NE2 3.43Å; H61-H64 PolarHBondContact NE2-NE2 2.98Å; H61-H64 WeakPolarHBondContact O-CB 3.35Å; H61-H64 PolarHBondContact O-N 2.83Å; L62-H64 VanDerWaalsContact C-N 3.34Å; L62-H64 PolarHBondContact O-N 2.87Å; H64-F66 PolarHBondContact O-N 3.09Å; H64-S67 PolarHBondContact O-N 3.42Å; H64-L68 WeakPolarHBondContact O-CD2 3.46Å; H64-L68 WeakPolarHBondContact O-CG 3.45Å; H64-L68 PolarHBondContact O-N 3.04Å
65T97.3Very high95.3Very high0 Ų017.3 Ų17.30%09%0.087CC..Hα-helixtrans-65.9-39.2-17772.50000111.5H61 L62 S69 L735H61-T65 PolarHBondContact O-N 3.46Å; L62-T65 WeakPolarHBondContact CA-OG1 3.39Å; L62-T65 WeakPolarHBondContact CD1-OG1 3.02Å; L62-T65 PolarHBondContact O-N 3.22Å; L62-T65 PolarHBondContact O-OG1 3.44Å; T65-S69 WeakPolarHBondContact O-CB 3.49Å; T65-S69 PolarHBondContact O-N 2.98Å; T65-L735 HydrophobicContact CG2-CB 3.62Å; T65-L735 HydrophobicContact CG2-CD1 3.44Å; T65-L735 VanDerWaalsContact CG2-CD1 3.44Å; T65-L735 HydrophobicContact CG2-CD2 3.95Å; T65-L735 HydrophobicContact CG2-CG 3.83Å
66F98.3Very high95.6Very high0 Ų014.3 Ų14.30%08%0.077CC..Hα-helixtrans-59.5-49.2172.1172.9-110.2000112.1L62 H64 S69 N715 L718 L751 A754 G755 A761L62-F66 PolarHBondContact O-N 2.88Å; H64-F66 PolarHBondContact O-N 3.09Å; F66-S69 WeakPolarHBondContact O-CB 3.32Å; F66-S69 PolarHBondContact O-N 2.9Å; F66-S69 PolarHBondContact O-OG 3.09Å; F66-N715 HydrophobicContact CE1-CB 3.93Å; F66-N715 WeakPolarHBondContact CE1-ND2 3.47Å; F66-N715 HydrophobicContact CZ-CB 4.44Å; F66-L718 HydrophobicContact CB-CB 4.29Å; F66-L718 HydrophobicContact CB-CD1 4.01Å; F66-L718 HydrophobicContact CB-CD2 3.88Å; F66-L718 HydrophobicContact CB-CG 4.28Å; F66-L718 HydrophobicContact CD1-CB 4.28Å; F66-L718 HydrophobicContact CD1-CD1 4.17Å; F66-L718 HydrophobicContact CD2-CD1 3.98Å; F66-L718 HydrophobicContact CG-CB 4.43Å; F66-L718 HydrophobicContact CG-CD1 3.78Å; F66-L718 HydrophobicContact CG-CG 4.48Å; F66-L751 HydrophobicContact CB-CD2 3.83Å; F66-L751 HydrophobicContact CD2-CD2 4.22Å; F66-A754 HydrophobicContact CD2-CB 4.09Å; F66-A754 HydrophobicContact CE2-CB 3.89Å; F66-G755 WeakPolarHBondContact CE2-O 3.49Å; F66-G755 VanDerWaalsContact CZ-O 3.29Å; F66-G755 WeakPolarHBondContact CZ-O 3.37Å; F66-A761 HydrophobicContact CD1-CB 4.36Å; F66-A761 HydrophobicContact CE1-CB 3.54Å; F66-A761 HydrophobicContact CE2-CB 3.74Å; F66-A761 HydrophobicContact CZ-CB 3.18Å
67S97.8Very high95.8Very high16 Ų1614.4 Ų14.411%0.1128%0.077CC..Hα-helixtrans-66-44.1-177.7-55.60000111.6G63 H64 S69 V680 N715G63-S67 PolarHBondContact O-N 3.48Å; G63-S67 PolarHBondContact O-OG 3.06Å; H64-S67 PolarHBondContact O-N 3.42Å; S67-S69 VanDerWaalsContact C-N 3.33Å; S67-S69 PolarHBondContact O-N 3.39Å; S67-V680 WeakPolarHBondContact O-CG1 3.08Å; S67-N715 PolarHBondContact OG-ND2 3.46Å
68L97.9Very high96.4Very high0 Ų012 Ų120%06%0.063CC..Hα-helixtrans-71.9-24.317773.688.1000113.2F51 H64 K70 C71 E72 F89 L193 M196 V198F51-L68 HydrophobicContact CB-CB 4.35Å; F51-L68 HydrophobicContact CD1-CB 4.04Å; F51-L68 HydrophobicContact CD2-CB 3.8Å; F51-L68 HydrophobicContact CE1-CB 4.27Å; F51-L68 HydrophobicContact CE2-CB 4.07Å; F51-L68 HydrophobicContact CG-CB 3.79Å; F51-L68 HydrophobicContact CZ-CB 4.29Å; H64-L68 WeakPolarHBondContact O-CD2 3.46Å; H64-L68 WeakPolarHBondContact O-CG 3.45Å; H64-L68 PolarHBondContact O-N 3.04Å; L68-K70 PolarHBondContact O-N 2.86Å; L68-K70 VanDerWaalsContact O-N 3.15Å; L68-C71 WeakPolarHBondContact O-CB 3.43Å; L68-C71 PolarHBondContact O-N 2.9Å; L68-E72 PolarHBondContact O-N 3.07Å; L68-E72 VanDerWaalsContact O-N 3.16Å; L68-F89 HydrophobicContact CD2-CE2 4.16Å; L68-F89 HydrophobicContact CD2-CZ 4.39Å; L68-L193 HydrophobicContact CD1-CD2 4.47Å; L68-L193 HydrophobicContact CD2-CD2 3.82Å; L68-M196 HydrophobicContact CD1-CE 4.1Å; L68-M196 HydrophobicContact CD1-SD 4.18Å; L68-V198 HydrophobicContact CD1-CG1 4.14Å
69S98.5Very high96.7Very high0 Ų013 Ų130%07%0.068CC..Hα-helixtrans-57.9-30.7-179.472.30000112.5T65 F66 S67 C71 E72 F73T65-S69 WeakPolarHBondContact O-CB 3.49Å; T65-S69 PolarHBondContact O-N 2.98Å; F66-S69 WeakPolarHBondContact O-CB 3.32Å; F66-S69 PolarHBondContact O-N 2.9Å; F66-S69 PolarHBondContact O-OG 3.09Å; S67-S69 VanDerWaalsContact C-N 3.33Å; S67-S69 PolarHBondContact O-N 3.39Å; S69-C71 PolarHBondContact O-N 3.36Å; S69-E72 WeakPolarHBondContact O-CB 3.32Å; S69-E72 PolarHBondContact O-N 2.75Å; S69-F73 WeakPolarHBondContact O-CB 3Å; S69-F73 WeakPolarHBondContact O-CD1 3.41Å; S69-F73 WeakPolarHBondContact O-CD2 3.38Å; S69-F73 WeakPolarHBondContact O-CG 3.47Å; S69-F73 PolarHBondContact O-N 2.67Å
70K98.3Very high96.9Very high0 Ų010 Ų100%06%0.057CC..Hα-helixtrans-65.5-40.2178-48.6-62.5178.4-1780111.3L68 A74 V680 G755 D756 Y825L68-K70 PolarHBondContact O-N 2.86Å; L68-K70 VanDerWaalsContact O-N 3.15Å; K70-A74 VanDerWaalsContact O-CB 3.28Å; K70-A74 WeakPolarHBondContact O-CB 3.48Å; K70-A74 PolarHBondContact O-N 3.44Å; K70-V680 HydrophobicContact CB-CB 4.48Å; K70-V680 HydrophobicContact CB-CG1 3.83Å; K70-V680 HydrophobicContact CB-CG2 4.09Å; K70-V680 HydrophobicContact CG-CG1 4.08Å; K70-G755 PolarHBondContact NZ-O 3.19Å; K70-D756 IonicContact NZ-OD1 3.48Å; K70-D756 PolarHBondContact NZ-OD1 2.91Å; K70-Y825 HydrophobicContact CB-CE2 3.85Å; K70-Y825 HydrophobicContact CD-CD2 3.42Å; K70-Y825 VanDerWaalsContact CD-CD2 3.42Å; K70-Y825 HydrophobicContact CD-CE2 3.57Å; K70-Y825 HydrophobicContact CG-CE2 4.32Å; K70-Y825 PolarHBondContact O-OH 3.44Å
71C97.6Very high96.9Very high1 Ų113.8 Ų13.81%0.0077%0.074CC..Hα-helixtrans-63.7-47.2171.9-66.70000110.9V49 L68 S69 F73 A74 V75 F87 V680V49-C71 HydrophobicContact CB-CB 4.48Å; V49-C71 HydrophobicContact CG2-CB 3.99Å; L68-C71 WeakPolarHBondContact O-CB 3.43Å; L68-C71 PolarHBondContact O-N 2.9Å; S69-C71 PolarHBondContact O-N 3.36Å; C71-F73 PolarHBondContact O-N 2.71Å; C71-A74 WeakPolarHBondContact O-CB 2.88Å; C71-A74 PolarHBondContact O-N 3.27Å; C71-V75 WeakPolarHBondContact O-CG2 3.31Å; C71-V75 PolarHBondContact O-N 3.19Å; C71-F87 HydrophobicContact CB-CD2 4.43Å; C71-F87 HydrophobicContact CB-CE1 4.23Å; C71-F87 HydrophobicContact CB-CE2 3.9Å; C71-F87 HydrophobicContact CB-CZ 3.79Å; C71-V680 VanDerWaalsContact SG-CB 3.59Å; C71-V680 WeakPolarHBondContact SG-CG2 3.45Å
72E98.2Very high96.9Very high0 Ų013.3 Ų13.30%08%0.083CC..Hα-helixtrans-58.9-44.9-17916954.4-153.700112.4L68 S69 V75 G76 F87 V198 K199 R748L68-E72 PolarHBondContact O-N 3.07Å; L68-E72 VanDerWaalsContact O-N 3.16Å; S69-E72 WeakPolarHBondContact O-CB 3.32Å; S69-E72 PolarHBondContact O-N 2.75Å; E72-V75 VanDerWaalsContact O-CG2 3.24Å; E72-V75 WeakPolarHBondContact O-CG2 3.13Å; E72-G76 PolarHBondContact O-N 3.21Å; E72-F87 HydrophobicContact CB-CE1 4.31Å; E72-V198 WeakPolarHBondContact OE2-CA 3.36Å; E72-K199 IonicContact OE1-NZ 3.31Å; E72-K199 PolarHBondContact OE1-NZ 2.98Å; E72-K199 PolarHBondContact OE2-N 3.01Å; E72-R748 VanDerWaalsContact CG-NH2 3.28Å; E72-R748 IonicContact OE1-CZ 2.76Å; E72-R748 IonicContact OE1-NH1 2.64Å; E72-R748 PolarHBondContact OE1-NH1 2.98Å; E72-R748 IonicContact OE1-NH2 3.88Å; E72-R748 PolarHBondContact OE1-NH2 3.05Å
73F98.6Very high96.8Very high0 Ų016.4 Ų16.40%010%0.096CC..Hα-helixtrans-69.9-37.6176.9-57.3-23.6000111.4S69 C71 G76 Y77 R748 A752 Y825 P869 I870S69-F73 WeakPolarHBondContact O-CB 3Å; S69-F73 WeakPolarHBondContact O-CD1 3.41Å; S69-F73 WeakPolarHBondContact O-CD2 3.38Å; S69-F73 WeakPolarHBondContact O-CG 3.47Å; S69-F73 PolarHBondContact O-N 2.67Å; C71-F73 PolarHBondContact O-N 2.71Å; F73-G76 PolarHBondContact O-N 3.17Å; F73-Y77 WeakPolarHBondContact O-CB 3.39Å; F73-Y77 PolarHBondContact O-N 2.8Å; F73-R748 HydrophobicContact CE1-CB 4.33Å; F73-R748 HydrophobicContact CZ-CB 4.43Å; F73-A752 HydrophobicContact CE2-CB 3.8Å; F73-A752 HydrophobicContact CZ-CB 4.15Å; F73-Y825 HydrophobicContact CB-CD1 3.56Å; F73-Y825 HydrophobicContact CB-CE1 3.28Å; F73-Y825 HydrophobicContact CB-CE2 4.43Å; F73-Y825 HydrophobicContact CB-CG 4.24Å; F73-Y825 AromaticContact CD2-CD1 3.85Å; F73-Y825 HydrophobicContact CD2-CD1 3.85Å; F73-Y825 HydrophobicContact CD2-CD2 4.06Å; F73-Y825 HydrophobicContact CD2-CE1 4.3Å; F73-Y825 HydrophobicContact CD2-CE2 4.48Å; F73-Y825 AromaticContact CD2-CG 3.71Å; F73-Y825 HydrophobicContact CD2-CG 3.71Å; F73-Y825 HydrophobicContact CG-CD1 4.14Å; F73-Y825 HydrophobicContact CG-CE1 4.29Å; F73-Y825 HydrophobicContact CG-CG 4.45Å; F73-P869 VanDerWaalsContact CD1-O 3.31Å; F73-P869 WeakPolarHBondContact CD1-O 3.39Å; F73-I870 HydrophobicContact CD1-CG1 4.37Å; F73-I870 HydrophobicContact CE1-CB 4.5Å; F73-I870 HydrophobicContact CE1-CG1 4.46Å; F73-I870 HydrophobicContact CE1-CG2 4.44Å; F73-I870 HydrophobicContact CZ-CG2 4.48Å
74A98.3Very high96.8Very high3 Ų317.8 Ų17.83%0.02510%0.102CC..Hα-helixtrans-59.3-47.9174.400000111.8Y47 K70 C71 Y77 Q78 M823 Y825Y47-A74 HydrophobicContact CE1-CB 4Å; K70-A74 VanDerWaalsContact O-CB 3.28Å; K70-A74 WeakPolarHBondContact O-CB 3.48Å; K70-A74 PolarHBondContact O-N 3.44Å; C71-A74 WeakPolarHBondContact O-CB 2.88Å; C71-A74 PolarHBondContact O-N 3.27Å; A74-Y77 PolarHBondContact O-N 3.03Å; A74-Q78 WeakPolarHBondContact O-CB 3.4Å; A74-Q78 WeakPolarHBondContact O-CG 3.3Å; A74-Q78 PolarHBondContact O-N 3.15Å; A74-M823 HydrophobicContact CB-CE 3.73Å; A74-Y825 WeakPolarHBondContact CB-OH 3.32Å; A74-Y825 PolarHBondContact N-OH 2.65Å
75V97.7Very high96.7Very high1 Ų116 Ų161%0.0069%0.094CC..Hα-helixtrans-70.4-34.6179.8-66.30000112.9Y47 V49 C71 E72 Y77 S79 C85 F87 K199Y47-V75 HydrophobicContact CD1-CG1 4.17Å; Y47-V75 HydrophobicContact CE1-CG1 4.38Å; V49-V75 HydrophobicContact CB-CG1 4.46Å; V49-V75 HydrophobicContact CG1-CG1 4.19Å; V49-V75 HydrophobicContact CG2-CG1 3.42Å; V49-V75 VanDerWaalsContact CG2-CG1 3.42Å; C71-V75 WeakPolarHBondContact O-CG2 3.31Å; C71-V75 PolarHBondContact O-N 3.19Å; E72-V75 VanDerWaalsContact O-CG2 3.24Å; E72-V75 WeakPolarHBondContact O-CG2 3.13Å; V75-Y77 VanDerWaalsContact C-N 3.32Å; V75-Y77 PolarHBondContact O-N 2.69Å; V75-S79 VanDerWaalsContact O-CB 3.26Å; V75-S79 WeakPolarHBondContact O-CB 3.16Å; V75-S79 PolarHBondContact O-N 3.07Å; V75-S79 PolarHBondContact O-OG 3.12Å; V75-C85 HydrophobicContact CB-CB 4.12Å; V75-C85 HydrophobicContact CG1-CB 4.11Å; V75-F87 HydrophobicContact CG1-CB 4.09Å; V75-F87 HydrophobicContact CG2-CB 4.39Å; V75-F87 HydrophobicContact CG2-CD1 4.2Å; V75-K199 HydrophobicContact CG2-CB 4.02Å; V75-K199 HydrophobicContact CG2-CD 4.21Å
76G97.2Very high96.7Very high5 Ų516 Ų165%0.05210%0.095CC..Hα-helixtrans-58.4-45.417200000112E72 F73 L80E72-G76 PolarHBondContact O-N 3.21Å; F73-G76 PolarHBondContact O-N 3.17Å; G76-L80 PolarHBondContact O-N 3.36Å
77Y98.2Very high96.8Very high3 Ų316.2 Ų16.21%0.01210%0.095CC..Hα-helixtrans-68.6-49.3177.1168-109.4000112.7F73 A74 V75 S79 L80 K81 E817 Y820 E821 W893F73-Y77 WeakPolarHBondContact O-CB 3.39Å; F73-Y77 PolarHBondContact O-N 2.8Å; A74-Y77 PolarHBondContact O-N 3.03Å; V75-Y77 VanDerWaalsContact C-N 3.32Å; V75-Y77 PolarHBondContact O-N 2.69Å; Y77-S79 VanDerWaalsContact C-N 3.28Å; Y77-S79 PolarHBondContact O-N 2.96Å; Y77-L80 WeakPolarHBondContact O-CB 3.34Å; Y77-L80 PolarHBondContact O-N 3.14Å; Y77-L80 VanDerWaalsContact O-N 3.11Å; Y77-K81 HydrophobicContact CD2-CG 4.35Å; Y77-K81 HydrophobicContact CE1-CG 3.97Å; Y77-K81 HydrophobicContact CE2-CD 4Å; Y77-K81 HydrophobicContact CE2-CG 3.78Å; Y77-K81 PolarHBondContact O-N 3.36Å; Y77-E817 WeakPolarHBondContact OH-CG 2.98Å; Y77-Y820 HydrophobicContact CD2-CD1 4.39Å; Y77-Y820 AromaticContact CD2-CD2 3.97Å; Y77-Y820 HydrophobicContact CD2-CD2 3.97Å; Y77-Y820 AromaticContact CD2-CG 3.74Å; Y77-Y820 HydrophobicContact CD2-CG 3.74Å; Y77-Y820 HydrophobicContact CE2-CD2 4.44Å; Y77-Y820 HydrophobicContact CE2-CG 4.29Å; Y77-Y820 HydrophobicContact CG-CD1 4.15Å; Y77-Y820 AromaticContact CG-CG 3.88Å; Y77-Y820 HydrophobicContact CG-CG 3.88Å; Y77-E821 HydrophobicContact CE1-CG 4.03Å; Y77-E821 WeakPolarHBondContact OH-CG 3.47Å; Y77-W893 HydrophobicContact CD2-CD2 4.4Å; Y77-W893 AromaticContact CD2-CE3 3.75Å; Y77-W893 HydrophobicContact CD2-CE3 3.75Å; Y77-W893 AromaticContact CD2-CH2 3.92Å; Y77-W893 HydrophobicContact CD2-CH2 3.92Å; Y77-W893 AromaticContact CD2-CZ3 3.5Å; Y77-W893 HydrophobicContact CD2-CZ3 3.5Å; Y77-W893 VanDerWaalsContact CD2-CZ3 3.5Å; Y77-W893 AromaticContact CE2-CD2 3.99Å; Y77-W893 HydrophobicContact CE2-CD2 3.99Å; Y77-W893 AromaticContact CE2-CE3 3.81Å; Y77-W893 HydrophobicContact CE2-CE3 3.81Å; Y77-W893 AromaticContact CE2-CH2 3.92Å; Y77-W893 HydrophobicContact CE2-CH2 3.92Å; Y77-W893 HydrophobicContact CE2-CZ2 4.08Å; Y77-W893 AromaticContact CE2-CZ3 3.8Å; Y77-W893 HydrophobicContact CE2-CZ3 3.8Å
78Q97.3Very high96.8Very high22 Ų2215.5 Ų15.510%0.1039%0.09CC..Hα-helixtrans-68.2-28.4-175.5-66-72.3-22.300112.4Y47 A74 K81 G82 K83Y47-Q78 HydrophobicContact CD1-CB 3.72Å; Y47-Q78 HydrophobicContact CD1-CG 3.7Å; Y47-Q78 HydrophobicContact CD2-CG 4.23Å; Y47-Q78 HydrophobicContact CE1-CB 4.07Å; Y47-Q78 HydrophobicContact CE1-CG 3.54Å; Y47-Q78 HydrophobicContact CE2-CG 4.09Å; Y47-Q78 HydrophobicContact CG-CB 4.04Å; Y47-Q78 HydrophobicContact CG-CG 4.03Å; A74-Q78 WeakPolarHBondContact O-CB 3.4Å; A74-Q78 WeakPolarHBondContact O-CG 3.3Å; A74-Q78 PolarHBondContact O-N 3.15Å; Q78-K81 CarbonylContact O-C 3.58Å; Q78-K81 WeakPolarHBondContact O-CB 3.38Å; Q78-K81 PolarHBondContact O-N 3.47Å; Q78-G82 PolarHBondContact O-N 2.92Å; Q78-K83 HydrophobicContact CB-CB 4.39Å; Q78-K83 HydrophobicContact CB-CD 4.38Å; Q78-K83 WeakPolarHBondContact O-CB 3.21Å; Q78-K83 PolarHBondContact O-N 3.26Å
79S94.9Very high96.8Very high40 Ų4015.6 Ų15.628%0.289%0.09SC..Hα-helixtrans-63.5-43.9171.1-58.20000111.3V75 Y77 K81 G82 C85V75-S79 VanDerWaalsContact O-CB 3.26Å; V75-S79 WeakPolarHBondContact O-CB 3.16Å; V75-S79 PolarHBondContact O-N 3.07Å; V75-S79 PolarHBondContact O-OG 3.12Å; Y77-S79 VanDerWaalsContact C-N 3.28Å; Y77-S79 PolarHBondContact O-N 2.96Å; S79-K81 PolarHBondContact O-N 3.38Å; S79-G82 WeakPolarHBondContact O-CA 3.09Å; S79-G82 PolarHBondContact O-N 2.92Å; S79-C85 PolarHBondContact OG-SG 3.45Å; S79-C85 VanDerWaalsContact OG-SG 3.35Å
80L95.7Very high96.8Very high7 Ų715.6 Ų15.64%0.0379%0.09CC..Hα-helixtrans-63.2-31.7173.5-67.2173000111.9G76 Y77 G82 L865 A868 P869 A891 S892 W893G76-L80 PolarHBondContact O-N 3.36Å; Y77-L80 WeakPolarHBondContact O-CB 3.34Å; Y77-L80 PolarHBondContact O-N 3.14Å; Y77-L80 VanDerWaalsContact O-N 3.11Å; L80-G82 PolarHBondContact O-N 3.33Å; L80-L865 WeakPolarHBondContact CD1-O 3.35Å; L80-L865 HydrophobicContact CD2-CD2 4.2Å; L80-A868 HydrophobicContact CD1-CB 4.47Å; L80-P869 HydrophobicContact CD1-CG 4.17Å; L80-A891 HydrophobicContact CD2-CB 4.1Å; L80-A891 WeakPolarHBondContact CD2-O 3.24Å; L80-S892 CarbonylContact O-C 3.35Å; L80-S892 WeakPolarHBondContact O-CA 3.26Å; L80-W893 HydrophobicContact CB-CB 4.22Å; L80-W893 HydrophobicContact CB-CE3 4.02Å; L80-W893 HydrophobicContact CD1-CE3 3.87Å; L80-W893 HydrophobicContact CD1-CZ3 4.11Å; L80-W893 PolarHBondContact O-N 3.22Å
81K95Very high96.8Very high82 Ų8215.6 Ų15.636%0.3579%0.09SC..THydrogen-bonded Turntrans-72.70.6172.3-66.1-66.1-64-179.40113.8Y77 Q78 S79 E817 W893Y77-K81 HydrophobicContact CD2-CG 4.35Å; Y77-K81 HydrophobicContact CE1-CG 3.97Å; Y77-K81 HydrophobicContact CE2-CD 4Å; Y77-K81 HydrophobicContact CE2-CG 3.78Å; Y77-K81 PolarHBondContact O-N 3.36Å; Q78-K81 CarbonylContact O-C 3.58Å; Q78-K81 WeakPolarHBondContact O-CB 3.38Å; Q78-K81 PolarHBondContact O-N 3.47Å; S79-K81 PolarHBondContact O-N 3.38Å; K81-E817 IonicContact NZ-OE1 3.14Å; K81-E817 PolarHBondContact NZ-OE1 3.06Å; K81-W893 HydrophobicContact CD-CB 3.85Å; K81-W893 HydrophobicContact CD-CD2 4.41Å; K81-W893 HydrophobicContact CD-CG 3.88Å
82G92.1Very high96.7Very high42 Ų4215.8 Ų15.843%0.4339%0.091SC..THydrogen-bonded Turntrans86.48.4176.300000114.5N45 Q78 S79 L80N45-G82 PolarHBondContact ND2-O 3.26Å; N45-G82 PolarHBondContact OD1-O 2.94Å; Q78-G82 PolarHBondContact O-N 2.92Å; S79-G82 WeakPolarHBondContact O-CA 3.09Å; S79-G82 PolarHBondContact O-N 2.92Å; L80-G82 PolarHBondContact O-N 3.33Å
83K93.4Very high96.6Very high65 Ų6515.9 Ų15.928%0.2839%0.092SC..  trans-77.9139.5175.4-63.8-166.7-176163.10111.1N45 Y47 Q78 C85N45-K83 CarbonylContact O-C 3.56Å; N45-K83 WeakPolarHBondContact O-CA 3.45Å; Y47-K83 HydrophobicContact CD2-CD 4.19Å; Y47-K83 HydrophobicContact CG-CD 4.28Å; Q78-K83 HydrophobicContact CB-CB 4.39Å; Q78-K83 HydrophobicContact CB-CD 4.38Å; Q78-K83 WeakPolarHBondContact O-CB 3.21Å; Q78-K83 PolarHBondContact O-N 3.26Å; K83-C85 PolarHBondContact O-N 3.17Å; K83-C85 PolarHBondContact O-SG 2.66Å; K83-C85 VanDerWaalsContact O-SG 3.38Å
84N93.4Very high96.1Very high39 Ų3916 Ų1621%0.2099%0.092CC..EExtended strand (participates in β ladder)trans-74.1108.2168.5-173.13.8000109.1N45 K46 Y47 Y672 W673N45-N84 PolarHBondContact O-N 3Å; K46-N84 CarbonylContact C-O 3.52Å; K46-N84 WeakPolarHBondContact CA-O 3.45Å; Y47-N84 PolarHBondContact N-O 2.88Å; N84-Y672 WeakPolarHBondContact CB-OH 3.35Å; N84-Y672 PolarHBondContact ND2-OH 3.43Å; N84-Y672 VanDerWaalsContact ND2-OH 3.15Å; N84-W673 HydrophobicContact CB-CH2 4.5Å; N84-W673 WeakPolarHBondContact O-CZ3 3.31Å
85C95.9Very high95.2Very high10 Ų1016.2 Ų16.27%0.06810%0.095CC..EExtended strand (participates in β ladder)trans-97.8134.4-170.8-66.10000112N32 Y47 V75 S79 K83N32-C85 PolarHBondContact ND2-O 3.07Å; Y47-C85 CarbonylContact O-C 3.56Å; Y47-C85 VanDerWaalsContact O-CA 3.32Å; Y47-C85 WeakPolarHBondContact O-CA 3.11Å; V75-C85 HydrophobicContact CB-CB 4.12Å; V75-C85 HydrophobicContact CG1-CB 4.11Å; S79-C85 PolarHBondContact OG-SG 3.45Å; S79-C85 VanDerWaalsContact OG-SG 3.35Å; K83-C85 PolarHBondContact O-N 3.17Å; K83-C85 PolarHBondContact O-SG 2.66Å; K83-C85 VanDerWaalsContact O-SG 3.38Å
86L97.8Very high94.1Very high1 Ų117 Ų171%0.00510%0.099CC..EExtended strand (participates in β ladder)trans-117.1116168.4174.859.3000109.2Y47 F48 V49 P88 D201 R204 W673Y47-L86 PolarHBondContact O-N 3.29Å; F48-L86 HydrophobicContact CD2-CB 4.09Å; F48-L86 HydrophobicContact CD2-CD2 3.82Å; F48-L86 HydrophobicContact CD2-CG 3.81Å; F48-L86 HydrophobicContact CE2-CD2 3.91Å; F48-L86 HydrophobicContact CE2-CG 4.07Å; F48-L86 HydrophobicContact CG-CD2 4.35Å; F48-L86 HydrophobicContact CZ-CD2 4.45Å; V49-L86 PolarHBondContact N-O 3.46Å; L86-P88 HydrophobicContact CD1-CB 4.4Å; L86-P88 HydrophobicContact CD1-CG 4.4Å; L86-P88 HydrophobicContact CG-CG 4.31Å; L86-D201 HydrophobicContact CD1-CB 4.38Å; L86-R204 VanDerWaalsContact CD1-CD 3.48Å; L86-W673 HydrophobicContact CB-CD2 3.83Å; L86-W673 HydrophobicContact CB-CE3 3.44Å; L86-W673 VanDerWaalsContact CB-CE3 3.44Å; L86-W673 HydrophobicContact CB-CH2 3.58Å; L86-W673 HydrophobicContact CB-CZ2 3.96Å; L86-W673 HydrophobicContact CB-CZ3 3.31Å; L86-W673 HydrophobicContact CD2-CB 4.12Å; L86-W673 HydrophobicContact CD2-CD2 3.49Å; L86-W673 VanDerWaalsContact CD2-CD2 3.49Å; L86-W673 HydrophobicContact CD2-CE3 3.94Å; L86-W673 HydrophobicContact CD2-CG 3.56Å; L86-W673 HydrophobicContact CD2-CZ2 4.43Å; L86-W673 HydrophobicContact CG-CD2 4.26Å; L86-W673 HydrophobicContact CG-CE3 4.31Å
87F98.4Very high93.2Very high4 Ų417.3 Ų17.32%0.01810%0.1CC..  trans-123.3100167.3-178.6-156.3000109.2V49 F51 C71 E72 V75 F89 V200 D201V49-F87 HydrophobicContact CG2-CB 3.83Å; V49-F87 HydrophobicContact CG2-CD2 3.78Å; V49-F87 HydrophobicContact CG2-CG 3.88Å; F51-F87 HydrophobicContact CB-CE2 4.26Å; C71-F87 HydrophobicContact CB-CD2 4.43Å; C71-F87 HydrophobicContact CB-CE1 4.23Å; C71-F87 HydrophobicContact CB-CE2 3.9Å; C71-F87 HydrophobicContact CB-CZ 3.79Å; E72-F87 HydrophobicContact CB-CE1 4.31Å; V75-F87 HydrophobicContact CG1-CB 4.09Å; V75-F87 HydrophobicContact CG2-CB 4.39Å; V75-F87 HydrophobicContact CG2-CD1 4.2Å; F87-F89 HydrophobicContact CE2-CD2 4.35Å; F87-F89 HydrophobicContact CZ-CD2 4.26Å; F87-V200 HydrophobicContact CD1-CG2 3.65Å; F87-V200 HydrophobicContact CE1-CG2 3.81Å; F87-V200 HydrophobicContact CG-CG2 4.06Å; F87-V200 HydrophobicContact CZ-CG2 4.33Å; F87-V200 WeakPolarHBondContact O-CA 3.23Å; F87-D201 PolarHBondContact O-N 3.15Å
88P98.3Very high92.5Very high0 Ų017.4 Ų17.40%010%0.101CC..  trans-99.1160.8176.136-27.6000110.8F48 V49 L86 R204 Y612F48-P88 HydrophobicContact CE2-CG 3.62Å; F48-P88 HydrophobicContact CZ-CG 4.36Å; V49-P88 WeakPolarHBondContact O-CD 3.45Å; L86-P88 HydrophobicContact CD1-CB 4.4Å; L86-P88 HydrophobicContact CD1-CG 4.4Å; L86-P88 HydrophobicContact CG-CG 4.31Å; P88-R204 HydrophobicContact CB-CB 3.93Å; P88-Y612 HydrophobicContact CB-CD1 3.55Å; P88-Y612 HydrophobicContact CB-CD2 4.22Å; P88-Y612 HydrophobicContact CB-CE1 3.98Å; P88-Y612 HydrophobicContact CB-CG 3.72Å; P88-Y612 HydrophobicContact CG-CD1 3.75Å; P88-Y612 HydrophobicContact CG-CD2 3.45Å; P88-Y612 VanDerWaalsContact CG-CD2 3.45Å; P88-Y612 HydrophobicContact CG-CE1 4.22Å; P88-Y612 HydrophobicContact CG-CE2 3.92Å; P88-Y612 HydrophobicContact CG-CG 3.37Å
89F98.6Very high91.8Very high2 Ų219.1 Ų19.11%0.00911%0.108CC..  trans-140.8112.4-177-153-76.7000112F51 P54 L68 F87 L91 L193 V200 W202 S205F51-F89 HydrophobicContact CB-CE2 4.33Å; F51-F89 HydrophobicContact CD1-CD2 4.45Å; F51-F89 AromaticContact CD1-CE2 3.44Å; F51-F89 HydrophobicContact CD1-CE2 3.44Å; F51-F89 VanDerWaalsContact CD1-CE2 3.44Å; F51-F89 AromaticContact CD1-CZ 3.55Å; F51-F89 HydrophobicContact CD1-CZ 3.55Å; F51-F89 HydrophobicContact CE1-CE2 4.15Å; F51-F89 AromaticContact CE1-CZ 3.87Å; F51-F89 HydrophobicContact CE1-CZ 3.87Å; F51-F89 HydrophobicContact CG-CE2 4.25Å; P54-F89 VanDerWaalsContact CD-CE1 3.46Å; P54-F89 HydrophobicContact CG-CE1 3.86Å; P54-F89 HydrophobicContact CG-CZ 3.98Å; L68-F89 HydrophobicContact CD2-CE2 4.16Å; L68-F89 HydrophobicContact CD2-CZ 4.39Å; F87-F89 HydrophobicContact CE2-CD2 4.35Å; F87-F89 HydrophobicContact CZ-CD2 4.26Å; F89-L91 HydrophobicContact CD1-CD2 4.05Å; F89-L91 HydrophobicContact CE1-CD2 3.99Å; F89-L193 HydrophobicContact CD1-CD1 3.78Å; F89-L193 HydrophobicContact CD2-CD1 4.24Å; F89-L193 HydrophobicContact CE1-CD1 3.61Å; F89-L193 HydrophobicContact CE2-CD1 4.08Å; F89-L193 HydrophobicContact CG-CD1 4.1Å; F89-L193 HydrophobicContact CZ-CD1 3.76Å; F89-V200 HydrophobicContact CB-CG1 3.84Å; F89-V200 HydrophobicContact CB-CG2 4.31Å; F89-W202 HydrophobicContact CB-CZ3 4.43Å; F89-S205 VanDerWaalsContact O-CA 3.31Å; F89-S205 WeakPolarHBondContact O-CA 3.5Å; F89-S205 WeakPolarHBondContact O-CB 3.43Å; F89-S205 PolarHBondContact O-OG 3.42Å
90G97.8Very high90.9Very high0 Ų017.6 Ų17.60%010%0.098CC..  trans-98.1171.5174.600000111.2Y53 Y612Y53-G90 WeakPolarHBondContact CB-O 3.38Å; G90-Y612 VanDerWaalsContact N-CE1 3.33Å; G90-Y612 PolarHBondContact N-OH 3.42Å
91L98.1Very high90.2Very high0 Ų017.9 Ų17.90%010%0.1CC..BIsolated β-bridgetrans-135.1116.3-171-58.9168000109.3M56 F89 C93 P186 A189 I190 F206 I207 L623M56-L91 HydrophobicContact CE-CB 4.26Å; M56-L91 HydrophobicContact CE-CD2 3.65Å; M56-L91 HydrophobicContact CG-CB 3.87Å; M56-L91 HydrophobicContact SD-CB 3.93Å; M56-L91 HydrophobicContact SD-CD2 3.82Å; M56-L91 HydrophobicContact SD-CG 4.32Å; F89-L91 HydrophobicContact CD1-CD2 4.05Å; F89-L91 HydrophobicContact CE1-CD2 3.99Å; L91-C93 PolarHBondContact O-N 3.14Å; L91-P186 HydrophobicContact CD1-CB 3.6Å; L91-A189 HydrophobicContact CD2-CB 3.95Å; L91-I190 HydrophobicContact CD1-CD1 4.36Å; L91-I190 HydrophobicContact CD1-CG1 4.1Å; L91-F206 PolarHBondContact N-O 3.48Å; L91-I207 HydrophobicContact CB-CG2 4.42Å; L91-I207 WeakPolarHBondContact O-CA 3.47Å; L91-L623 HydrophobicContact CD1-CD1 4.14Å; L91-L623 HydrophobicContact CD1-CD2 3.83Å
92H96.8Very high89.8Confident6 Ų614 Ų143%0.0288%0.083CC..BIsolated β-bridgetrans-86112.5-168.2-158.6169.4000110.7Y53 P54 Y55 M56 T94 T208 S601 D604Y53-H92 VanDerWaalsContact CD2-CA 3.46Å; Y53-H92 HydrophobicContact CD2-CB 3.33Å; Y53-H92 AromaticContact CD2-CG 3.7Å; Y53-H92 AromaticContact CE1-ND1 3.92Å; Y53-H92 HydrophobicContact CE2-CB 3.44Å; Y53-H92 VanDerWaalsContact CE2-CB 3.44Å; Y53-H92 AromaticContact CE2-CD2 3.44Å; Y53-H92 VanDerWaalsContact CE2-CD2 3.44Å; Y53-H92 WeakPolarHBondContact CE2-CD2 3.35Å; Y53-H92 AromaticContact CE2-CG 3.23Å; Y53-H92 AromaticContact CE2-ND1 3.65Å; Y53-H92 AromaticContact CE2-NE2 3.95Å; Y53-H92 HydrophobicContact CG-CB 3.92Å; Y53-H92 AromaticContact CZ-CD2 3.86Å; Y53-H92 AromaticContact CZ-CE1 3.7Å; Y53-H92 AromaticContact CZ-CG 3.66Å; Y53-H92 AromaticContact CZ-ND1 3.57Å; Y53-H92 AromaticContact CZ-NE2 3.88Å; Y53-H92 PolarHBondContact OH-CE1 3.04Å; Y53-H92 PolarHBondContact OH-NE2 3.24Å; P54-H92 VanDerWaalsContact O-CB 3.32Å; P54-H92 WeakPolarHBondContact O-CB 3.42Å; P54-H92 PolarHBondContact O-N 2.83Å; Y55-H92 CarbonylContact C-O 3.54Å; Y55-H92 WeakPolarHBondContact CA-O 3.49Å; Y55-H92 HydrophobicContact CD1-CB 4.21Å; Y55-H92 AromaticContact CE1-CE1 3.82Å; Y55-H92 AromaticContact CE1-CG 3.92Å; Y55-H92 AromaticContact CE1-ND1 3.66Å; Y55-H92 AromaticContact CZ-ND1 3.93Å; M56-H92 PolarHBondContact N-O 2.79Å; H92-T94 WeakPolarHBondContact NE2-CB 3.23Å; H92-T208 PolarHBondContact CD2-OG1 3Å; H92-S601 PolarHBondContact CE1-O 3.41Å; H92-D604 IonicContact NE2-OD1 2.73Å
93C94.9Very high89.3Confident1 Ų114.3 Ų14.31%0.0078%0.075CC..  trans-112.1-15.8178.4-62.30000112.8L91 I98 L182 T208 T209L91-C93 PolarHBondContact O-N 3.14Å; C93-I98 HydrophobicContact CB-CD1 4.33Å; C93-L182 HydrophobicContact CB-CD1 4.04Å; C93-L182 HydrophobicContact CB-CD2 4.22Å; C93-L182 HydrophobicContact CB-CG 3.89Å; C93-T208 PolarHBondContact N-OG1 3.21Å; C93-T209 VanDerWaalsContact C-CG2 3.5Å; C93-T209 HydrophobicContact CB-CG2 3.7Å
94T89.1Confident88.7Confident2 Ų214.5 Ų14.51%0.0128%0.076CC..  trans-59.7140.7173-48.70000110.6Y55 H92 T208 S601 D604Y55-T94 WeakPolarHBondContact CE1-O 3.37Å; H92-T94 WeakPolarHBondContact NE2-CB 3.23Å; T94-T208 PolarHBondContact N-OG1 2.5Å; T94-T208 PolarHBondContact OG1-O 3.25Å; T94-T208 VanDerWaalsContact OG1-O 3.08Å; T94-T208 PolarHBondContact OG1-OG1 2.84Å; T94-S601 WeakPolarHBondContact O-CB 3.45Å; T94-D604 VanDerWaalsContact CB-OD2 3.25Å; T94-D604 WeakPolarHBondContact CB-OD2 3.46Å; T94-D604 WeakPolarHBondContact CG2-OD2 3.47Å; T94-D604 PolarHBondContact OG1-OD2 3.41Å
95G79.1Confident88.4Confident8 Ų812.6 Ų12.68%0.0827%0.066CC..BIsolated β-bridgetrans118.2-176.5175.200000113.7L587G95-L587 PolarHBondContact N-O 3.13Å; G95-L587 PolarHBondContact O-N 2.97Å
96M75Confident88Confident18 Ų1816.6 Ų16.69%0.0898%0.082CC..SBendtrans-94.2-27.5-170.6-59.6171.6-54.900114.9I98 K99 A100 M250 D253 Y585M96-I98 VanDerWaalsContact C-N 3.32Å; M96-I98 PolarHBondContact O-N 2.99Å; M96-K99 PolarHBondContact O-N 3.22Å; M96-A100 VanDerWaalsContact O-CB 3.31Å; M96-A100 WeakPolarHBondContact O-CB 3.38Å; M96-A100 PolarHBondContact O-N 3.5Å; M96-M250 HydrophobicContact CE-CB 4.14Å; M96-D253 WeakPolarHBondContact CB-OD1 3.34Å; M96-D253 VanDerWaalsContact CE-CG 3.48Å; M96-D253 VanDerWaalsContact CE-OD1 3.25Å; M96-D253 WeakPolarHBondContact CE-OD1 3.49Å; M96-D253 WeakPolarHBondContact CE-OD2 3.38Å; M96-D253 VanDerWaalsContact SD-CG 3.59Å; M96-Y585 HydrophobicContact CG-CD1 4.38Å; M96-Y585 WeakPolarHBondContact CG-O 3.47Å
97P77.1Confident87.2Confident12 Ų1222.3 Ų22.38%0.07810%0.104CC..Hα-helixtrans-54.6-41.4-174.3-29.935.4000115.2N57 C101 H252N57-P97 HydrophobicContact CB-CB 4.45Å; P97-C101 WeakPolarHBondContact O-CB 3.34Å; P97-C101 PolarHBondContact O-N 2.75Å; P97-C101 PolarHBondContact O-SG 3.09Å; P97-C101 VanDerWaalsContact O-SG 3.42Å; P97-H252 HydrophobicContact CG-CB 4.03Å
98I84.6Confident86.7Confident4 Ų422.5 Ų22.52%0.02111%0.105CC..Hα-helixtrans-64.2-53.5-179.7-62.1175.6000109.7M56 N57 C93 M96 A100 C101 A102 A178 W181 L182 L587M56-I98 HydrophobicContact CB-CD1 4.32Å; N57-I98 HydrophobicContact CB-CG1 3.95Å; C93-I98 HydrophobicContact CB-CD1 4.33Å; M96-I98 VanDerWaalsContact C-N 3.32Å; M96-I98 PolarHBondContact O-N 2.99Å; I98-A100 VanDerWaalsContact C-N 3.34Å; I98-A100 PolarHBondContact O-N 2.88Å; I98-C101 PolarHBondContact O-N 3.3Å; I98-A102 PolarHBondContact O-N 2.89Å; I98-A178 HydrophobicContact CG2-CB 4.32Å; I98-W181 HydrophobicContact CG2-CB 3.53Å; I98-W181 HydrophobicContact CG2-CD2 3.9Å; I98-W181 HydrophobicContact CG2-CE3 4.27Å; I98-W181 HydrophobicContact CG2-CG 3.58Å; I98-L182 HydrophobicContact CD1-CD1 4.12Å; I98-L182 HydrophobicContact CG2-CD1 4.29Å; I98-L587 HydrophobicContact CB-CD1 4.07Å; I98-L587 HydrophobicContact CD1-CD1 4.48Å; I98-L587 HydrophobicContact CG2-CD1 3.95Å
99K81.9Confident86.2Confident58 Ų5823.8 Ų23.825%0.25211%0.111SC..Hα-helixtrans-62-40.7-179.6-174.654.9177.2156.10112.2M96 C101 A102 D103 A178 Y585 L587M96-K99 PolarHBondContact O-N 3.22Å; K99-C101 PolarHBondContact O-N 3.38Å; K99-A102 PolarHBondContact O-N 3.14Å; K99-D103 WeakPolarHBondContact CE-OD1 3.46Å; K99-D103 WeakPolarHBondContact CE-OD2 3.14Å; K99-D103 IonicContact NZ-OD1 2.84Å; K99-D103 PolarHBondContact NZ-OD1 2.85Å; K99-D103 IonicContact NZ-OD2 3.36Å; K99-D103 WeakPolarHBondContact O-CB 3.44Å; K99-D103 VanDerWaalsContact O-CG 3.32Å; K99-D103 PolarHBondContact O-N 2.94Å; K99-A178 HydrophobicContact CD-CB 3.93Å; K99-Y585 HydrophobicContact CG-CE1 4.27Å; K99-Y585 HydrophobicContact CG-CE2 3.84Å; K99-L587 HydrophobicContact CB-CG 4.4Å
100A77.1Confident85.7Confident8 Ų830.2 Ų30.27%0.06614%0.141CC..Hα-helixtrans-65.2-36.4176.500000113M96 I98 K104M96-A100 VanDerWaalsContact O-CB 3.31Å; M96-A100 WeakPolarHBondContact O-CB 3.38Å; M96-A100 PolarHBondContact O-N 3.5Å; I98-A100 VanDerWaalsContact C-N 3.34Å; I98-A100 PolarHBondContact O-N 2.88Å; A100-K104 WeakPolarHBondContact O-CB 3.35Å; A100-K104 PolarHBondContact O-N 2.78Å; A100-K104 VanDerWaalsContact O-N 3.08Å
101C80.6Confident85Confident14 Ų1435 Ų3510%0.09517%0.166CC..Hα-helixtrans-70.8-40.6173.8-790000111.9P97 I98 K99 K104 L105 W181P97-C101 WeakPolarHBondContact O-CB 3.34Å; P97-C101 PolarHBondContact O-N 2.75Å; P97-C101 PolarHBondContact O-SG 3.09Å; P97-C101 VanDerWaalsContact O-SG 3.42Å; I98-C101 PolarHBondContact O-N 3.3Å; K99-C101 PolarHBondContact O-N 3.38Å; C101-K104 PolarHBondContact O-N 2.84Å; C101-L105 WeakPolarHBondContact O-CB 3.4Å; C101-L105 PolarHBondContact O-N 3.36Å; C101-W181 HydrophobicContact CB-CH2 3.57Å; C101-W181 HydrophobicContact CB-CZ2 3.77Å; C101-W181 HydrophobicContact CB-CZ3 4.29Å
102A86.6Confident84.5Confident0 Ų038.7 Ų38.70%018%0.18CC..Hα-helixtrans-61.5-47.1175.700000111.8I98 K99 K104 L105 K106 F175 A178I98-A102 PolarHBondContact O-N 2.89Å; K99-A102 PolarHBondContact O-N 3.14Å; A102-K104 PolarHBondContact O-N 3.39Å; A102-L105 PolarHBondContact O-N 2.89Å; A102-K106 WeakPolarHBondContact O-CB 3.24Å; A102-K106 PolarHBondContact O-N 2.76Å; A102-F175 WeakPolarHBondContact CA-O 3.48Å; A102-F175 WeakPolarHBondContact CB-O 3.13Å; A102-A178 HydrophobicContact CB-CB 4.29Å
103D81Confident83.9Confident48 Ų4839.9 Ų39.926%0.25720%0.195SC..Hα-helixtrans-68.4-33.8179.1-68-11.3000111.9K99 K106 R107 Y585K99-D103 WeakPolarHBondContact CE-OD1 3.46Å; K99-D103 WeakPolarHBondContact CE-OD2 3.14Å; K99-D103 IonicContact NZ-OD1 2.84Å; K99-D103 PolarHBondContact NZ-OD1 2.85Å; K99-D103 IonicContact NZ-OD2 3.36Å; K99-D103 WeakPolarHBondContact O-CB 3.44Å; K99-D103 VanDerWaalsContact O-CG 3.32Å; K99-D103 PolarHBondContact O-N 2.94Å; D103-K106 PolarHBondContact O-N 2.87Å; D103-R107 WeakPolarHBondContact O-CB 3.35Å; D103-R107 PolarHBondContact O-N 3.41Å; D103-Y585 PolarHBondContact OD2-OH 3.05Å
104K81.1Confident83.4Confident69 Ų6944 Ų4430%0.322%0.217SC..Hα-helixtrans-62.5-45.4172-174.4177.2-178.5-141.80111.3A100 C101 A102 R107 E108 T156 Q158A100-K104 WeakPolarHBondContact O-CB 3.35Å; A100-K104 PolarHBondContact O-N 2.78Å; A100-K104 VanDerWaalsContact O-N 3.08Å; C101-K104 PolarHBondContact O-N 2.84Å; A102-K104 PolarHBondContact O-N 3.39Å; K104-R107 PolarHBondContact O-N 2.93Å; K104-E108 WeakPolarHBondContact CE-OE1 3.38Å; K104-E108 IonicContact NZ-OE1 3.4Å; K104-E108 PolarHBondContact NZ-OE1 3.35Å; K104-E108 WeakPolarHBondContact O-CG 3.46Å; K104-E108 PolarHBondContact O-N 2.88Å; K104-T156 PolarHBondContact NZ-O 3.34Å; K104-Q158 HydrophobicContact CD-CB 3.95Å; K104-Q158 HydrophobicContact CG-CB 4.1Å
105L86Confident83.1Confident0 Ų047.1 Ų47.10%024%0.237CC..Hα-helixtrans-64.8-42.6178.6-164.3157.9000111C101 A102 R107 E108 M109 Q158 W159 M162 I172 F175 A176C101-L105 WeakPolarHBondContact O-CB 3.4Å; C101-L105 PolarHBondContact O-N 3.36Å; A102-L105 PolarHBondContact O-N 2.89Å; L105-R107 VanDerWaalsContact C-N 3.34Å; L105-R107 PolarHBondContact O-N 3.19Å; L105-E108 PolarHBondContact O-N 2.93Å; L105-M109 HydrophobicContact CD2-CE 3.7Å; L105-M109 HydrophobicContact CD2-CG 4.2Å; L105-M109 HydrophobicContact CD2-SD 3.87Å; L105-M109 WeakPolarHBondContact O-CG 3.29Å; L105-M109 PolarHBondContact O-N 3.42Å; L105-Q158 HydrophobicContact CB-CG 4.21Å; L105-Q158 HydrophobicContact CD1-CG 4.38Å; L105-W159 HydrophobicContact CD2-CE3 4.19Å; L105-W159 HydrophobicContact CD2-CZ3 4.24Å; L105-W159 HydrophobicContact CG-CE3 4.45Å; L105-M162 HydrophobicContact CD1-CG 3.76Å; L105-I172 HydrophobicContact CD1-CG2 3.8Å; L105-I172 HydrophobicContact CD2-CG2 4.23Å; L105-I172 HydrophobicContact CG-CG2 4.32Å; L105-F175 HydrophobicContact CD1-CB 3.85Å; L105-A176 HydrophobicContact CD2-CB 4.49Å
106K87.5Confident83.3Confident94 Ų9447.4 Ų47.441%0.40924%0.237SC..Hα-helixtrans-56.4-47.8172.9-174175.6175.4179.10111.7A102 D103 M109 E110 A176A102-K106 WeakPolarHBondContact O-CB 3.24Å; A102-K106 PolarHBondContact O-N 2.76Å; D103-K106 PolarHBondContact O-N 2.87Å; K106-M109 PolarHBondContact O-N 3.28Å; K106-E110 WeakPolarHBondContact CE-OE1 3.39Å; K106-E110 WeakPolarHBondContact O-CG 3.31Å; K106-E110 PolarHBondContact O-N 2.65Å; K106-A176 HydrophobicContact CB-CB 4.12Å
107R82.8Confident83.7Confident121 Ų12153.5 Ų53.546%0.45727%0.269SS..Hα-helixtrans-63.7-41.5177.7-178.2176.9178-178.2-1.6112.8D103 K104 L105 M109 E110 L111D103-R107 WeakPolarHBondContact O-CB 3.35Å; D103-R107 PolarHBondContact O-N 3.41Å; K104-R107 PolarHBondContact O-N 2.93Å; L105-R107 VanDerWaalsContact C-N 3.34Å; L105-R107 PolarHBondContact O-N 3.19Å; R107-M109 VanDerWaalsContact C-N 3.31Å; R107-M109 PolarHBondContact O-N 3.17Å; R107-E110 PolarHBondContact O-N 2.81Å; R107-L111 HydrophobicContact CG-CD1 3.74Å; R107-L111 HydrophobicContact CG-CG 4.25Å; R107-L111 WeakPolarHBondContact O-CB 3.49Å; R107-L111 WeakPolarHBondContact O-CG 3.27Å; R107-L111 PolarHBondContact O-N 2.88Å
108E86.4Confident84Confident8 Ų855 Ų554%0.03728%0.275CS..Hα-helixtrans-61-41.8176.5-75.3171.1-172.200111.1K104 L105 L111 Y112 F118 Y157 Q158 W159K104-E108 WeakPolarHBondContact CE-OE1 3.38Å; K104-E108 IonicContact NZ-OE1 3.4Å; K104-E108 PolarHBondContact NZ-OE1 3.35Å; K104-E108 WeakPolarHBondContact O-CG 3.46Å; K104-E108 PolarHBondContact O-N 2.88Å; L105-E108 PolarHBondContact O-N 2.93Å; E108-L111 PolarHBondContact O-N 2.86Å; E108-Y112 HydrophobicContact CB-CD2 4.39Å; E108-Y112 WeakPolarHBondContact O-CB 3.3Å; E108-Y112 VanDerWaalsContact O-CD2 3.3Å; E108-Y112 WeakPolarHBondContact O-CD2 3.43Å; E108-Y112 PolarHBondContact O-N 3.29Å; E108-F118 HydrophobicContact CB-CE1 4.38Å; E108-F118 HydrophobicContact CG-CE1 4.35Å; E108-Y157 HydrophobicContact CG-CD1 4.29Å; E108-Y157 WeakPolarHBondContact OE1-CA 3.42Å; E108-Q158 VanDerWaalsContact CD-N 3.31Å; E108-Q158 PolarHBondContact OE1-N 3.36Å; E108-Q158 WeakPolarHBondContact OE2-CA 3.43Å; E108-Q158 WeakPolarHBondContact OE2-CB 3.42Å; E108-Q158 PolarHBondContact OE2-N 3.48Å; E108-W159 PolarHBondContact OE2-N 3.37Å
109M87.8Confident83.8Confident27 Ų2758.6 Ų58.613%0.13330%0.299CS..Hα-helixtrans-66.7-40.1175.5-66.7-173-6100113.1L105 K106 R107 L111 G113 W159 V173 A176L105-M109 HydrophobicContact CD2-CE 3.7Å; L105-M109 HydrophobicContact CD2-CG 4.2Å; L105-M109 HydrophobicContact CD2-SD 3.87Å; L105-M109 WeakPolarHBondContact O-CG 3.29Å; L105-M109 PolarHBondContact O-N 3.42Å; K106-M109 PolarHBondContact O-N 3.28Å; R107-M109 VanDerWaalsContact C-N 3.31Å; R107-M109 PolarHBondContact O-N 3.17Å; M109-L111 VanDerWaalsContact C-N 3.34Å; M109-G113 WeakPolarHBondContact CA-O 3.46Å; M109-G113 CarbonylContact O-C 3.49Å; M109-G113 WeakPolarHBondContact O-CA 3.29Å; M109-G113 PolarHBondContact O-N 3.14Å; M109-W159 HydrophobicContact CG-CE3 4.04Å; M109-W159 HydrophobicContact CG-CZ3 3.68Å; M109-W159 HydrophobicContact SD-CE3 4.5Å; M109-W159 HydrophobicContact SD-CZ3 3.67Å; M109-V173 HydrophobicContact CE-CG1 4.48Å; M109-V173 HydrophobicContact SD-CB 4.3Å; M109-V173 HydrophobicContact SD-CG1 4.05Å; M109-V173 HydrophobicContact SD-CG2 4.25Å; M109-A176 HydrophobicContact CE-CB 3.48Å; M109-A176 VanDerWaalsContact CE-CB 3.48Å
110E87.4Confident82.5Confident136 Ų13663.3 Ų63.364%0.63633%0.327SS*.Hα-helixtrans-66.5-35.1178.4-74.6171-179.900112.4K106 R107K106-E110 WeakPolarHBondContact CE-OE1 3.39Å; K106-E110 WeakPolarHBondContact O-CG 3.31Å; K106-E110 PolarHBondContact O-N 2.65Å; R107-E110 PolarHBondContact O-N 2.81Å
111L84.6Confident81.1Confident101 Ų10168.2 Ų68.253%0.52935%0.348SS..Hα-helixtrans-86.8-38.4-177.4-70176.6000113.8R107 E108 M109R107-L111 HydrophobicContact CG-CD1 3.74Å; R107-L111 HydrophobicContact CG-CG 4.25Å; R107-L111 WeakPolarHBondContact O-CB 3.49Å; R107-L111 WeakPolarHBondContact O-CG 3.27Å; R107-L111 PolarHBondContact O-N 2.88Å; E108-L111 PolarHBondContact O-N 2.86Å; M109-L111 VanDerWaalsContact C-N 3.34Å
112Y87.1Confident78.9Confident77 Ų7774.5 Ų74.530%0.30238%0.381SS..Hα-helixtrans-116.2-2.6-168.1-54.3-69.7000113.7E108 P116 L117 F118 P119 Y157E108-Y112 HydrophobicContact CB-CD2 4.39Å; E108-Y112 WeakPolarHBondContact O-CB 3.3Å; E108-Y112 VanDerWaalsContact O-CD2 3.3Å; E108-Y112 WeakPolarHBondContact O-CD2 3.43Å; E108-Y112 PolarHBondContact O-N 3.29Å; Y112-P116 WeakPolarHBondContact O-CA 3.43Å; Y112-L117 PolarHBondContact O-N 3.36Å; Y112-F118 HydrophobicContact CD1-CD1 4.26Å; Y112-F118 AromaticContact CD2-CD1 3.63Å; Y112-F118 HydrophobicContact CD2-CD1 3.63Å; Y112-F118 AromaticContact CD2-CE1 3.53Å; Y112-F118 HydrophobicContact CD2-CE1 3.53Å; Y112-F118 HydrophobicContact CE2-CD1 4.01Å; Y112-F118 HydrophobicContact CE2-CE1 4.05Å; Y112-F118 AromaticContact CG-CD1 3.77Å; Y112-F118 HydrophobicContact CG-CD1 3.77Å; Y112-F118 HydrophobicContact CG-CE1 4.02Å; Y112-P119 HydrophobicContact CE1-CG 4.37Å; Y112-Y157 HydrophobicContact CE2-CE1 4.1Å
113G85.1Confident76.4Confident32 Ų3283.9 Ų83.933%0.3342%0.424SS..THydrogen-bonded Turntrans94.8-178.6-178.300000114M109 P115 P116M109-G113 WeakPolarHBondContact CA-O 3.46Å; M109-G113 CarbonylContact O-C 3.49Å; M109-G113 WeakPolarHBondContact O-CA 3.29Å; M109-G113 PolarHBondContact O-N 3.14Å; G113-P115 CarbonylContact C-O 3.31Å; G113-P115 CarbonylContact O-C 3.4Å; G113-P116 WeakPolarHBondContact O-CA 3.36Å; G113-P116 VanDerWaalsContact O-N 3.14Å
114N83.6Confident73.9Confident87 Ų8789.7 Ų89.747%0.46545%0.45SS..THydrogen-bonded Turntrans-138.199.1-178.3-178.910.5000110.2W159 V173N114-W159 WeakPolarHBondContact OD1-CH2 3.46Å; N114-V173 WeakPolarHBondContact ND2-CG2 3.35Å; N114-V173 VanDerWaalsContact OD1-CG2 3.29Å; N114-V173 WeakPolarHBondContact OD1-CG2 3.43Å
115P81.7Confident71.5Confident67 Ų6795.2 Ų95.244%0.43548%0.477SS..THydrogen-bonded Turncis-68.9149.73.729.4-35.2000112.8G113 W159G113-P115 CarbonylContact C-O 3.31Å; G113-P115 CarbonylContact O-C 3.4Å; P115-W159 HydrophobicContact CB-CZ2 4.07Å
116P84.5Confident68.7Low14 Ų14102.8 Ų102.89%0.09151%0.51CS..THydrogen-bonded Turntrans-70.4135.5-177.827.8-32.9000111.7Y112 G113 F118 W159Y112-P116 WeakPolarHBondContact O-CA 3.43Å; G113-P116 WeakPolarHBondContact O-CA 3.36Å; G113-P116 VanDerWaalsContact O-N 3.14Å; P116-F118 HydrophobicContact CB-CD1 4.46Å; P116-F118 HydrophobicContact CB-CE1 3.81Å; P116-F118 HydrophobicContact CB-CE2 4.21Å; P116-F118 HydrophobicContact CB-CZ 3.65Å; P116-F118 HydrophobicContact CG-CE1 4.23Å; P116-F118 HydrophobicContact CG-CE2 3.94Å; P116-F118 HydrophobicContact CG-CZ 3.56Å; P116-W159 HydrophobicContact CG-CB 3.81Å; P116-W159 HydrophobicContact CG-CD2 3.49Å; P116-W159 VanDerWaalsContact CG-CD2 3.49Å; P116-W159 HydrophobicContact CG-CE3 3.99Å; P116-W159 HydrophobicContact CG-CG 3.37Å
117L82.4Confident65.7Low146 Ų146107 Ų10776%0.76453%0.531SS*.  trans-104.799170.2-67.8170.2000108.4Y112Y112-L117 PolarHBondContact O-N 3.36Å
118F84.2Confident62.9Low43 Ų43110.1 Ų110.119%0.18955%0.548CS..PPolyproline II helixtrans-74.9145.4178.9-57.6-60.5000110.6E108 Y112 P116 Y157 W159E108-F118 HydrophobicContact CB-CE1 4.38Å; E108-F118 HydrophobicContact CG-CE1 4.35Å; Y112-F118 HydrophobicContact CD1-CD1 4.26Å; Y112-F118 AromaticContact CD2-CD1 3.63Å; Y112-F118 HydrophobicContact CD2-CD1 3.63Å; Y112-F118 AromaticContact CD2-CE1 3.53Å; Y112-F118 HydrophobicContact CD2-CE1 3.53Å; Y112-F118 HydrophobicContact CE2-CD1 4.01Å; Y112-F118 HydrophobicContact CE2-CE1 4.05Å; Y112-F118 AromaticContact CG-CD1 3.77Å; Y112-F118 HydrophobicContact CG-CD1 3.77Å; Y112-F118 HydrophobicContact CG-CE1 4.02Å; P116-F118 HydrophobicContact CB-CD1 4.46Å; P116-F118 HydrophobicContact CB-CE1 3.81Å; P116-F118 HydrophobicContact CB-CE2 4.21Å; P116-F118 HydrophobicContact CB-CZ 3.65Å; P116-F118 HydrophobicContact CG-CE1 4.23Å; P116-F118 HydrophobicContact CG-CE2 3.94Å; P116-F118 HydrophobicContact CG-CZ 3.56Å; F118-Y157 HydrophobicContact CB-CD2 4.09Å; F118-Y157 HydrophobicContact CB-CE2 3.58Å; F118-Y157 AromaticContact CD1-CD1 3.55Å; F118-Y157 HydrophobicContact CD1-CD1 3.55Å; F118-Y157 AromaticContact CD1-CD2 3.62Å; F118-Y157 HydrophobicContact CD1-CD2 3.62Å; F118-Y157 AromaticContact CD1-CE1 3.5Å; F118-Y157 HydrophobicContact CD1-CE1 3.5Å; F118-Y157 AromaticContact CD1-CE2 3.59Å; F118-Y157 HydrophobicContact CD1-CE2 3.59Å; F118-Y157 AromaticContact CD1-CG 3.6Å; F118-Y157 HydrophobicContact CD1-CG 3.6Å; F118-Y157 AromaticContact CD1-CZ 3.52Å; F118-Y157 AromaticContact CD2-CD2 3.49Å; F118-Y157 HydrophobicContact CD2-CD2 3.49Å; F118-Y157 VanDerWaalsContact CD2-CD2 3.49Å; F118-Y157 AromaticContact CD2-CE2 3.92Å; F118-Y157 HydrophobicContact CD2-CE2 3.92Å; F118-Y157 AromaticContact CD2-CG 3.93Å; F118-Y157 HydrophobicContact CD2-CG 3.93Å; F118-Y157 AromaticContact CE1-CD1 3.31Å; F118-Y157 HydrophobicContact CE1-CD1 3.31Å; F118-Y157 AromaticContact CE1-CD2 3.85Å; F118-Y157 HydrophobicContact CE1-CD2 3.85Å; F118-Y157 AromaticContact CE1-CE1 3.74Å; F118-Y157 HydrophobicContact CE1-CE1 3.74Å; F118-Y157 HydrophobicContact CE1-CE2 4.25Å; F118-Y157 AromaticContact CE1-CG 3.35Å; F118-Y157 HydrophobicContact CE1-CG 3.35Å; F118-Y157 AromaticContact CE2-CD2 3.73Å; F118-Y157 HydrophobicContact CE2-CD2 3.73Å; F118-Y157 AromaticContact CE2-CG 3.7Å; F118-Y157 HydrophobicContact CE2-CG 3.7Å; F118-Y157 HydrophobicContact CG-CD1 4.26Å; F118-Y157 AromaticContact CG-CD2 3.44Å; F118-Y157 HydrophobicContact CG-CD2 3.44Å; F118-Y157 VanDerWaalsContact CG-CD2 3.44Å; F118-Y157 HydrophobicContact CG-CE1 4.22Å; F118-Y157 AromaticContact CG-CE2 3.4Å; F118-Y157 HydrophobicContact CG-CE2 3.4Å; F118-Y157 VanDerWaalsContact CG-CE2 3.4Å; F118-Y157 AromaticContact CG-CG 3.88Å; F118-Y157 HydrophobicContact CG-CG 3.88Å; F118-Y157 AromaticContact CG-CZ 3.81Å; F118-Y157 AromaticContact CZ-CD1 3.85Å; F118-Y157 HydrophobicContact CZ-CD1 3.85Å; F118-Y157 AromaticContact CZ-CD2 3.91Å; F118-Y157 HydrophobicContact CZ-CD2 3.91Å; F118-Y157 AromaticContact CZ-CG 3.42Å; F118-Y157 HydrophobicContact CZ-CG 3.42Å; F118-Y157 VanDerWaalsContact CZ-CG 3.42Å; F118-W159 HydrophobicContact CE2-CB 4.33Å; F118-W159 HydrophobicContact CZ-CB 3.97Å
119P79.6Confident60.1Low81 Ų81115.6 Ų115.653%0.52658%0.584SS.*PPolyproline II helixtrans-61.2138.6174.621.9-28.5000110.3Y112 E121Y112-P119 HydrophobicContact CE1-CG 4.37Å; P119-E121 PolarHBondContact O-N 2.78Å
120D54.7Low57Low157 Ų157124 Ų12484%0.8462%0.62SS**PPolyproline II helixtrans-55.8124171.5-73.1-40.3000108.1D122D120-D122 PolarHBondContact O-N 2.78Å
121E47.3Very low54.2Low110 Ų110121.6 Ų121.651%0.51462%0.624SS.*  trans-68.897.5173.5-71.7-166.5-167.500107.3P119 E123 K126 T156P119-E121 PolarHBondContact O-N 2.78Å; E121-E123 PolarHBondContact O-N 3.3Å; E121-K126 IonicContact OE2-NZ 2.77Å; E121-K126 PolarHBondContact OE2-NZ 3.32Å; E121-K126 VanDerWaalsContact OE2-NZ 3.07Å; E121-T156 PolarHBondContact OE1-OG1 3.06Å
122D34.4Very low51.4Low146 Ų146120.8 Ų120.878%0.78163%0.632SS**  trans-52.5125.1158.3-83.8-40000106.8D120 E124D120-D122 PolarHBondContact O-N 2.78Å; D122-E124 PolarHBondContact O-N 2.79Å
123E34.4Very low48.6Very low197 Ų197124.5 Ų124.592%0.92166%0.657SS**  trans-67.257.1168.1-68.3-169.4161.400109.8E121 E125E121-E123 PolarHBondContact O-N 3.3Å; E123-E125 PolarHBondContact O-N 2.91Å
124E30.1Very low46Very low170 Ų170128.8 Ų128.879%0.79467%0.668SS**  trans-63.3120.3154.4-80-168.2162.100106D122 K126D122-E124 PolarHBondContact O-N 2.79Å; E124-K126 VanDerWaalsContact C-N 3.32Å; E124-K126 PolarHBondContact O-N 3.15Å
125E29Very low43.5Very low185 Ų185130.7 Ų130.786%0.86468%0.677SS**  trans-41.997.5173.4-71.6-178.3141.300109.1E123 E127E123-E125 PolarHBondContact O-N 2.91Å; E125-E127 PolarHBondContact O-N 3.09Å
126K27.5Very low41Very low159 Ų159132.3 Ų132.369%0.69168%0.681SS**  trans-5996.7162.1-77.8172.7-178.5153.60103.9E121 E124 K128E121-K126 IonicContact OE2-NZ 2.77Å; E121-K126 PolarHBondContact OE2-NZ 3.32Å; E121-K126 VanDerWaalsContact OE2-NZ 3.07Å; E124-K126 VanDerWaalsContact C-N 3.32Å; E124-K126 PolarHBondContact O-N 3.15Å; K126-K128 VanDerWaalsContact C-N 3.34Å; K126-K128 PolarHBondContact O-N 2.88Å
127E25.3Very low38.3Very low182 Ų182135 Ų13585%0.8569%0.694SS**  trans-45.8107.4169.4-87.3-166.4147.700105.6E125 P129E125-E127 PolarHBondContact O-N 3.09Å; E127-P129 VanDerWaalsContact O-CD 3.28Å; E127-P129 WeakPolarHBondContact O-CD 3.4Å
128K23.5Very low35.6Very low188 Ų188135 Ų13582%0.81769%0.688SS**  trans-52.2120.6169.8-74.8177.1179172.20104.6K126 K130K126-K128 VanDerWaalsContact C-N 3.34Å; K126-K128 PolarHBondContact O-N 2.88Å; K128-K130 PolarHBondContact O-N 2.76Å
129P27.2Very low32.8Very low123 Ų123138.5 Ų138.580%0.79971%0.708SS**  trans-57.3113.2166.2-7.318.6000104.3E127 A131E127-P129 VanDerWaalsContact O-CD 3.28Å; E127-P129 WeakPolarHBondContact O-CD 3.4Å; P129-A131 PolarHBondContact O-N 3.07Å
130K24.2Very low30.3Very low202 Ų202144.8 Ų144.888%0.87873%0.727SS**  trans-49.1117.8169.2-82.4-179.7176174.70105.2K128 A132K128-K130 PolarHBondContact O-N 2.76Å; K130-A132 VanDerWaalsContact C-N 3.28Å; K130-A132 PolarHBondContact O-N 3.44Å
131A26.8Very low29Very low87 Ų87141.3 Ų141.372%0.71972%0.721SS**  trans-55.5102171.100000106.2P129 D133P129-A131 PolarHBondContact O-N 3.07Å; A131-D133 VanDerWaalsContact C-N 3.29Å; A131-D133 PolarHBondContact O-N 2.91Å
132A26.1Very low28.2Very low84 Ų84144 Ų14469%0.69473%0.73SS**  trans-70.49916500000105K130 E134K130-A132 VanDerWaalsContact C-N 3.28Å; K130-A132 PolarHBondContact O-N 3.44Å; A132-E134 PolarHBondContact O-N 3.24Å
133D28.6Very low27.9Very low155 Ų155140.5 Ų140.583%0.82973%0.729SS**  trans-62.285164-77.4-33000107.9A131A131-D133 VanDerWaalsContact C-N 3.29Å; A131-D133 PolarHBondContact O-N 2.91Å
134E31Very low27.5Very low121 Ų121139.8 Ų139.857%0.56572%0.722SS**  trans-105.6114.7162.4-82-177.3-169.800108.2A132 I136 K389A132-E134 PolarHBondContact O-N 3.24Å; E134-I136 PolarHBondContact O-N 2.95Å; E134-K389 IonicContact OE1-NZ 2.82Å; E134-K389 PolarHBondContact OE1-NZ 3.31Å
135I30.6Very low27.7Very low127 Ų127138.6 Ų138.665%0.65172%0.715SS**  trans-71.2109.5177.9-62.8169.5000108I137I135-I137 PolarHBondContact O-N 3.4Å
136I29.3Very low27.8Very low102 Ų102133.3 Ų133.352%0.52370%0.698SS.*  trans-75120.6166.1-61.5171.2000107.2E134 K138E134-I136 PolarHBondContact O-N 2.95Å; I136-K138 PolarHBondContact O-N 2.97Å
137I27.5Very low27.8Very low71 Ų71132.8 Ų132.836%0.36470%0.696SS.*  trans-62.6110.5165.9-60145.3000107.8I135 D139 E473 L477I135-I137 PolarHBondContact O-N 3.4Å; I137-D139 PolarHBondContact O-N 3.18Å; I137-E473 HydrophobicContact CD1-CG 3.86Å; I137-E473 HydrophobicContact CG1-CG 4.04Å; I137-L477 HydrophobicContact CB-CD1 4.01Å; I137-L477 HydrophobicContact CB-CG 4.27Å; I137-L477 HydrophobicContact CD1-CB 4.42Å; I137-L477 HydrophobicContact CD1-CD1 3.36Å; I137-L477 HydrophobicContact CD1-CD2 4.43Å; I137-L477 HydrophobicContact CD1-CG 3.41Å; I137-L477 VanDerWaalsContact CD1-CG 3.41Å; I137-L477 HydrophobicContact CG1-CD1 3.35Å; I137-L477 HydrophobicContact CG1-CG 3.88Å; I137-L477 HydrophobicContact CG2-CD1 3.49Å; I137-L477 VanDerWaalsContact CG2-CD1 3.49Å; I137-L477 HydrophobicContact CG2-CD2 3.5Å; I137-L477 VanDerWaalsContact CG2-CD2 3.5Å; I137-L477 HydrophobicContact CG2-CG 3.69Å
138K26.5Very low27.9Very low145 Ų145128 Ų12863%0.6369%0.688SS**  trans-72.6121.5177.7-73170.3179.61620109.8I136 K140I136-K138 PolarHBondContact O-N 2.97Å; K138-K140 PolarHBondContact O-N 3.38Å
139D26Very low27.9Very low116 Ų116125.9 Ų125.962%0.6269%0.69SS**  trans-64.4124.5144-131.2-22000107I137 A141 K142I137-D139 PolarHBondContact O-N 3.18Å; D139-A141 PolarHBondContact O-N 3.22Å; D139-K142 PolarHBondContact O-N 2.92Å
140K26.2Very low27.9Very low214 Ų214122.3 Ų122.393%0.9367%0.671SS**THydrogen-bonded Turntrans-64.510.9-171.4-87.4-177.8176.2176.10114.8K138K138-K140 PolarHBondContact O-N 3.38Å
141A28.1Very low28.3Very low84 Ų84119.1 Ų119.169%0.69466%0.657SS**THydrogen-bonded Turntrans-112.63.3-178.400000115.4D139D139-A141 PolarHBondContact O-N 3.22Å
142K29.3Very low28.3Very low166 Ų166120.2 Ų120.272%0.72266%0.659SS**SBendtrans-107.4114.1176-72.8-175.3178.7178.70111.9D139D139-K142 PolarHBondContact O-N 2.92Å
143G28.5Very low28.5Very low72 Ų72117.5 Ų117.574%0.74264%0.64SS**  trans-52.4144.1177.100000113.2K145G143-K145 PolarHBondContact O-N 3.27Å; G143-K145 VanDerWaalsContact O-N 3.17Å
144K27.2Very low28.9Very low182 Ų182116.1 Ų116.179%0.79164%0.642SS**  trans-57117.6-178.6-76.3176.5177.2173.50110.5S146K144-S146 PolarHBondContact O-N 3.42Å
145K32.9Very low29.9Very low146 Ų146112.8 Ų112.864%0.63563%0.632SS**  trans-55.8112.2174.5-68-179.3176.6-178.40110.4G143 E519G143-K145 PolarHBondContact O-N 3.27Å; G143-K145 VanDerWaalsContact O-N 3.17Å; K145-E519 IonicContact NZ-OE1 2.83Å
146S30.8Very low31.3Very low73 Ų73110.6 Ų110.651%0.5163%0.625SS.*  trans-146.980.2170.471.10000113.2K144 K724K144-S146 PolarHBondContact O-N 3.42Å; S146-K724 VanDerWaalsContact CB-NZ 3.29Å; S146-K724 PolarHBondContact OG-NZ 3.31Å
147K28Very low33.7Very low149 Ų149107.8 Ų107.865%0.64861%0.608SS**SBendtrans-139.9-25.4159.3-80.6-171.4178.5172.10113.7
148A27.1Very low36.3Very low82 Ų82105.2 Ų105.268%0.67860%0.595SS**G310 helixtrans-76.6-29.5-172.800000116A150A148-A150 VanDerWaalsContact C-N 3.3Å; A148-A150 PolarHBondContact O-N 3.12Å
149V24.8Very low39.1Very low143 Ų14398.4 Ų98.487%0.86757%0.565SS**G310 helixtrans-80.8-8.8-174.3-173.40000112.9
150A26.5Very low41.8Very low48 Ų4894.9 Ų94.940%0.39755%0.546SS..G310 helixtrans-97.72.8-175.100000115.1A148 S728A148-A150 VanDerWaalsContact C-N 3.3Å; A148-A150 PolarHBondContact O-N 3.12Å; A150-S728 WeakPolarHBondContact O-CB 3.47Å; A150-S728 PolarHBondContact O-OG 3.06Å
151K31.7Very low44.4Very low135 Ų13587.2 Ų87.259%0.58752%0.515SS*.  trans-89.63.2-174.9-86.3-178.6178.4170.80115.9G153 E258K151-G153 PolarHBondContact O-N 2.97Å; K151-E258 IonicContact NZ-OE1 3.5Å; K151-E258 PolarHBondContact NZ-OE1 2.89Å
152S27.6Very low47.1Very low109 Ų10983.2 Ų83.276%0.76248%0.482SS*.  trans-89.472.8171.261.40000111
153G30.8Very low49.6Very low28 Ų2880.9 Ų80.929%0.28947%0.468SS..  trans-91.8160.5162.700000110.3K151 S155K151-G153 PolarHBondContact O-N 2.97Å; G153-S155 PolarHBondContact O-N 2.71Å
154S37.6Very low51.9Low126 Ų12681.7 Ų81.788%0.88146%0.462SS*.SBendtrans-63.57.6-176.760.80000116.3
155S50.5Low54.1Low51 Ų5175.9 Ų75.936%0.35744%0.44SS..  trans-127.595.3-177.9-51.40000109G153 Y157G153-S155 PolarHBondContact O-N 2.71Å; S155-Y157 VanDerWaalsContact C-N 3.29Å; S155-Y157 PolarHBondContact O-N 3.37Å
156T61.5Low56.1Low81 Ų8171.9 Ų71.950%0.49744%0.44SS..  trans-73-24.7-175.4-29.90000111.7K104 E121K104-T156 PolarHBondContact NZ-O 3.34Å; E121-T156 PolarHBondContact OE1-OG1 3.06Å
157Y78.5Confident58.7Low42 Ų4268.7 Ų68.717%0.16542%0.418CS..SBendtrans-104.4149.7-171.3-58.9-77.5000113.8E108 Y112 F118 S155E108-Y157 HydrophobicContact CG-CD1 4.29Å; E108-Y157 WeakPolarHBondContact OE1-CA 3.42Å; Y112-Y157 HydrophobicContact CE2-CE1 4.1Å; F118-Y157 HydrophobicContact CB-CD2 4.09Å; F118-Y157 HydrophobicContact CB-CE2 3.58Å; F118-Y157 AromaticContact CD1-CD1 3.55Å; F118-Y157 HydrophobicContact CD1-CD1 3.55Å; F118-Y157 AromaticContact CD1-CD2 3.62Å; F118-Y157 HydrophobicContact CD1-CD2 3.62Å; F118-Y157 AromaticContact CD1-CE1 3.5Å; F118-Y157 HydrophobicContact CD1-CE1 3.5Å; F118-Y157 AromaticContact CD1-CE2 3.59Å; F118-Y157 HydrophobicContact CD1-CE2 3.59Å; F118-Y157 AromaticContact CD1-CG 3.6Å; F118-Y157 HydrophobicContact CD1-CG 3.6Å; F118-Y157 AromaticContact CD1-CZ 3.52Å; F118-Y157 AromaticContact CD2-CD2 3.49Å; F118-Y157 HydrophobicContact CD2-CD2 3.49Å; F118-Y157 VanDerWaalsContact CD2-CD2 3.49Å; F118-Y157 AromaticContact CD2-CE2 3.92Å; F118-Y157 HydrophobicContact CD2-CE2 3.92Å; F118-Y157 AromaticContact CD2-CG 3.93Å; F118-Y157 HydrophobicContact CD2-CG 3.93Å; F118-Y157 AromaticContact CE1-CD1 3.31Å; F118-Y157 HydrophobicContact CE1-CD1 3.31Å; F118-Y157 AromaticContact CE1-CD2 3.85Å; F118-Y157 HydrophobicContact CE1-CD2 3.85Å; F118-Y157 AromaticContact CE1-CE1 3.74Å; F118-Y157 HydrophobicContact CE1-CE1 3.74Å; F118-Y157 HydrophobicContact CE1-CE2 4.25Å; F118-Y157 AromaticContact CE1-CG 3.35Å; F118-Y157 HydrophobicContact CE1-CG 3.35Å; F118-Y157 AromaticContact CE2-CD2 3.73Å; F118-Y157 HydrophobicContact CE2-CD2 3.73Å; F118-Y157 AromaticContact CE2-CG 3.7Å; F118-Y157 HydrophobicContact CE2-CG 3.7Å; F118-Y157 HydrophobicContact CG-CD1 4.26Å; F118-Y157 AromaticContact CG-CD2 3.44Å; F118-Y157 HydrophobicContact CG-CD2 3.44Å; F118-Y157 VanDerWaalsContact CG-CD2 3.44Å; F118-Y157 HydrophobicContact CG-CE1 4.22Å; F118-Y157 AromaticContact CG-CE2 3.4Å; F118-Y157 HydrophobicContact CG-CE2 3.4Å; F118-Y157 VanDerWaalsContact CG-CE2 3.4Å; F118-Y157 AromaticContact CG-CG 3.88Å; F118-Y157 HydrophobicContact CG-CG 3.88Å; F118-Y157 AromaticContact CG-CZ 3.81Å; F118-Y157 AromaticContact CZ-CD1 3.85Å; F118-Y157 HydrophobicContact CZ-CD1 3.85Å; F118-Y157 AromaticContact CZ-CD2 3.91Å; F118-Y157 HydrophobicContact CZ-CD2 3.91Å; F118-Y157 AromaticContact CZ-CG 3.42Å; F118-Y157 HydrophobicContact CZ-CG 3.42Å; F118-Y157 VanDerWaalsContact CZ-CG 3.42Å; S155-Y157 VanDerWaalsContact C-N 3.29Å; S155-Y157 PolarHBondContact O-N 3.37Å
158Q81.6Confident61.5Low18 Ų1866.9 Ų66.98%0.08442%0.415CS..Hα-helixtrans-68.4-36.1179-176.664.941.700111.3K104 L105 E108 D160 I161 M162K104-Q158 HydrophobicContact CD-CB 3.95Å; K104-Q158 HydrophobicContact CG-CB 4.1Å; L105-Q158 HydrophobicContact CB-CG 4.21Å; L105-Q158 HydrophobicContact CD1-CG 4.38Å; E108-Q158 VanDerWaalsContact CD-N 3.31Å; E108-Q158 PolarHBondContact OE1-N 3.36Å; E108-Q158 WeakPolarHBondContact OE2-CA 3.43Å; E108-Q158 WeakPolarHBondContact OE2-CB 3.42Å; E108-Q158 PolarHBondContact OE2-N 3.48Å; Q158-D160 VanDerWaalsContact C-N 3.33Å; Q158-D160 PolarHBondContact O-N 2.97Å; Q158-I161 WeakPolarHBondContact O-CB 3.26Å; Q158-I161 PolarHBondContact O-N 3.26Å; Q158-M162 WeakPolarHBondContact O-CG 3.11Å; Q158-M162 PolarHBondContact O-N 2.94Å
159W85.5Confident64.3Low1 Ų165.1 Ų65.10%0.00439%0.394CS..Hα-helixtrans-53.8-47.5175.4-171.1-87000112.5L105 E108 M109 N114 P115 P116 F118 I161 M162 R163 D169 I172 V173L105-W159 HydrophobicContact CD2-CE3 4.19Å; L105-W159 HydrophobicContact CD2-CZ3 4.24Å; L105-W159 HydrophobicContact CG-CE3 4.45Å; E108-W159 PolarHBondContact OE2-N 3.37Å; M109-W159 HydrophobicContact CG-CE3 4.04Å; M109-W159 HydrophobicContact CG-CZ3 3.68Å; M109-W159 HydrophobicContact SD-CE3 4.5Å; M109-W159 HydrophobicContact SD-CZ3 3.67Å; N114-W159 WeakPolarHBondContact OD1-CH2 3.46Å; P115-W159 HydrophobicContact CB-CZ2 4.07Å; P116-W159 HydrophobicContact CG-CB 3.81Å; P116-W159 HydrophobicContact CG-CD2 3.49Å; P116-W159 VanDerWaalsContact CG-CD2 3.49Å; P116-W159 HydrophobicContact CG-CE3 3.99Å; P116-W159 HydrophobicContact CG-CG 3.37Å; F118-W159 HydrophobicContact CE2-CB 4.33Å; F118-W159 HydrophobicContact CZ-CB 3.97Å; W159-I161 VanDerWaalsContact C-N 3.3Å; W159-I161 PolarHBondContact O-N 2.69Å; W159-M162 WeakPolarHBondContact O-CB 3.15Å; W159-M162 PolarHBondContact O-N 3.01Å; W159-R163 PolarHBondContact O-N 3.46Å; W159-D169 HydrophobicContact CZ2-CB 3.89Å; W159-I172 HydrophobicContact CD2-CD1 4.46Å; W159-I172 HydrophobicContact CD2-CG2 3.76Å; W159-I172 HydrophobicContact CE3-CB 4.3Å; W159-I172 HydrophobicContact CE3-CG2 3.41Å; W159-I172 VanDerWaalsContact CE3-CG2 3.41Å; W159-I172 HydrophobicContact CH2-CB 3.9Å; W159-I172 HydrophobicContact CH2-CG2 3.92Å; W159-I172 HydrophobicContact CZ2-CB 4.14Å; W159-I172 HydrophobicContact CZ2-CD1 4.24Å; W159-I172 HydrophobicContact CZ2-CG2 4.23Å; W159-I172 HydrophobicContact CZ3-CB 3.97Å; W159-I172 HydrophobicContact CZ3-CG2 3.48Å; W159-I172 VanDerWaalsContact CZ3-CG2 3.48Å; W159-V173 HydrophobicContact CH2-CG2 4.05Å; W159-V173 HydrophobicContact CZ3-CG2 4.47Å
160D82.7Confident67.2Low42 Ų4264.9 Ų64.923%0.22539%0.388CS..Hα-helixtrans-63.7-36.8179.4-63.6-34.7000112.2Q158 M162 R163 S164Q158-D160 VanDerWaalsContact C-N 3.33Å; Q158-D160 PolarHBondContact O-N 2.97Å; D160-M162 VanDerWaalsContact C-N 3.32Å; D160-M162 PolarHBondContact O-N 3.39Å; D160-R163 PolarHBondContact O-N 3.29Å; D160-S164 WeakPolarHBondContact O-CB 3.47Å; D160-S164 PolarHBondContact O-N 3.13Å
161I82.3Confident70.1Confident53 Ų5366.3 Ų66.327%0.27239%0.387SS..Hα-helixtrans-62.9-41.9174-62.1170.9000110.1Q158 W159 S164 L165Q158-I161 WeakPolarHBondContact O-CB 3.26Å; Q158-I161 PolarHBondContact O-N 3.26Å; W159-I161 VanDerWaalsContact C-N 3.3Å; W159-I161 PolarHBondContact O-N 2.69Å; I161-S164 PolarHBondContact O-N 3.23Å; I161-S164 PolarHBondContact O-OG 2.87Å; I161-L165 PolarHBondContact O-N 3.02Å
162M84.1Confident72.9Confident1 Ų159.9 Ų59.91%0.00536%0.359CS..Hα-helixtrans-66.8-40.6177.7-61.5-59.2-79.500111.6L105 Q158 W159 D160 S164 L165 L167 I172 F175 W181L105-M162 HydrophobicContact CD1-CG 3.76Å; Q158-M162 WeakPolarHBondContact O-CG 3.11Å; Q158-M162 PolarHBondContact O-N 2.94Å; W159-M162 WeakPolarHBondContact O-CB 3.15Å; W159-M162 PolarHBondContact O-N 3.01Å; D160-M162 VanDerWaalsContact C-N 3.32Å; D160-M162 PolarHBondContact O-N 3.39Å; M162-S164 VanDerWaalsContact C-N 3.31Å; M162-S164 PolarHBondContact O-N 2.98Å; M162-L165 WeakPolarHBondContact O-CB 3.23Å; M162-L165 PolarHBondContact O-N 3.07Å; M162-L165 VanDerWaalsContact O-N 3.1Å; M162-L165 HydrophobicContact SD-CD1 4.14Å; M162-L167 HydrophobicContact CB-CD1 4.22Å; M162-L167 HydrophobicContact CE-CD1 3.63Å; M162-I172 HydrophobicContact CB-CB 4.48Å; M162-I172 HydrophobicContact CB-CD1 3.99Å; M162-I172 HydrophobicContact CB-CG1 3.92Å; M162-I172 HydrophobicContact CB-CG2 3.77Å; M162-I172 HydrophobicContact CG-CG2 4.17Å; M162-F175 HydrophobicContact CE-CB 3.78Å; M162-F175 HydrophobicContact CE-CD1 3.33Å; M162-F175 HydrophobicContact CE-CD2 3.63Å; M162-F175 HydrophobicContact CE-CE1 3.69Å; M162-F175 HydrophobicContact CE-CE2 3.97Å; M162-F175 HydrophobicContact CE-CG 3.28Å; M162-F175 HydrophobicContact CE-CZ 3.98Å; M162-W181 HydrophobicContact CE-CH2 4.22Å; M162-W181 HydrophobicContact CE-CZ2 4.27Å; M162-W181 HydrophobicContact SD-CH2 4.01Å; M162-W181 HydrophobicContact SD-CZ2 4.47Å
163R82.3Confident75.9Confident116 Ų11656.7 Ų56.744%0.43833%0.334SS..Hα-helixtrans-63.3-37.2173.9-165.7-178.1-87171.3-10.3111.7W159 D160 L165 G166 D169 I172W159-R163 PolarHBondContact O-N 3.46Å; D160-R163 PolarHBondContact O-N 3.29Å; R163-L165 PolarHBondContact O-N 3.19Å; R163-G166 PolarHBondContact O-N 3.3Å; R163-D169 IonicContact CZ-OD1 2.85Å; R163-D169 IonicContact CZ-OD2 3.96Å; R163-D169 IonicContact NE-OD1 3.39Å; R163-D169 PolarHBondContact NE-OD1 3.29Å; R163-D169 VanDerWaalsContact NE-OD1 3.1Å; R163-D169 IonicContact NH2-OD1 3.1Å; R163-D169 PolarHBondContact NH2-OD1 3.06Å; R163-D169 IonicContact NH2-OD2 2.67Å; R163-D169 PolarHBondContact NH2-OD2 2.87Å; R163-I172 HydrophobicContact CB-CD1 4.09Å
164S76.4Confident78.9Confident89 Ų8961.1 Ų61.162%0.62235%0.346SS*.Hα-helixtrans-64.4-19.8174.8820000114.1D160 I161 M162 G166D160-S164 WeakPolarHBondContact O-CB 3.47Å; D160-S164 PolarHBondContact O-N 3.13Å; I161-S164 PolarHBondContact O-N 3.23Å; I161-S164 PolarHBondContact O-OG 2.87Å; M162-S164 VanDerWaalsContact C-N 3.31Å; M162-S164 PolarHBondContact O-N 2.98Å; S164-G166 PolarHBondContact O-N 3.5Å
165L73.4Confident81.5Confident60 Ų6055.1 Ų55.131%0.31430%0.304SS..THydrogen-bonded Turntrans-78.9-0.5172-65.8169.8000112.7I161 M162 R163 F185I161-L165 PolarHBondContact O-N 3.02Å; M162-L165 WeakPolarHBondContact O-CB 3.23Å; M162-L165 PolarHBondContact O-N 3.07Å; M162-L165 VanDerWaalsContact O-N 3.1Å; M162-L165 HydrophobicContact SD-CD1 4.14Å; R163-L165 PolarHBondContact O-N 3.19Å; L165-F185 HydrophobicContact CD1-CZ 4.24Å
166G74.7Confident83.4Confident63 Ų6353 Ų5365%0.64929%0.29SS*.THydrogen-bonded Turntrans8218-178.400000114R163 S164R163-G166 PolarHBondContact O-N 3.3Å; S164-G166 PolarHBondContact O-N 3.5Å
167L84.3Confident84.8Confident6 Ų654.8 Ų54.83%0.03129%0.292CS..  trans-79.4140.3174.8-67.6170.7000110.7M162 E171 I172 F175 Y184M162-L167 HydrophobicContact CB-CD1 4.22Å; M162-L167 HydrophobicContact CE-CD1 3.63Å; L167-E171 HydrophobicContact CD2-CB 4.37Å; L167-I172 HydrophobicContact CB-CD1 4.28Å; L167-I172 HydrophobicContact CB-CG1 3.69Å; L167-I172 HydrophobicContact CD1-CG1 4.4Å; L167-F175 HydrophobicContact CD1-CD2 4.29Å; L167-F175 HydrophobicContact CD1-CE2 3.65Å; L167-F175 HydrophobicContact CD1-CZ 3.93Å; L167-F175 HydrophobicContact CD2-CE2 4.28Å; L167-Y184 HydrophobicContact CD2-CE1 4.32Å; L167-Y184 HydrophobicContact CD2-CE2 4.09Å; L167-Y184 VanDerWaalsContact CD2-OH 3.25Å; L167-Y184 WeakPolarHBondContact CD2-OH 3.49Å
168N87.1Confident85.3Confident110 Ų11052.9 Ų52.959%0.58829%0.285SS*.  trans-78.8152.6172.7-64.8-33.2000110.5N170 E171 I172N168-N170 VanDerWaalsContact C-N 3.26Å; N168-N170 PolarHBondContact O-N 3.46Å; N168-N170 VanDerWaalsContact O-N 3.13Å; N168-E171 HydrophobicContact CB-CG 4.39Å; N168-E171 PolarHBondContact N-OE2 3.37Å; N168-E171 VanDerWaalsContact N-OE2 3.15Å; N168-E171 WeakPolarHBondContact O-CA 3.41Å; N168-E171 WeakPolarHBondContact O-CB 3.17Å; N168-E171 PolarHBondContact O-N 3.26Å; N168-I172 WeakPolarHBondContact O-CG1 3.48Å; N168-I172 PolarHBondContact O-N 2.94Å; N168-I172 VanDerWaalsContact O-N 3.15Å
169D86.2Confident85.8Confident46 Ų4656.9 Ų56.925%0.24630%0.304CS..Hα-helixtrans-52.5-42-175.9-72.1-8.9000112.9W159 R163 E171 I172 V173W159-D169 HydrophobicContact CZ2-CB 3.89Å; R163-D169 IonicContact CZ-OD1 2.85Å; R163-D169 IonicContact CZ-OD2 3.96Å; R163-D169 IonicContact NE-OD1 3.39Å; R163-D169 PolarHBondContact NE-OD1 3.29Å; R163-D169 VanDerWaalsContact NE-OD1 3.1Å; R163-D169 IonicContact NH2-OD1 3.1Å; R163-D169 PolarHBondContact NH2-OD1 3.06Å; R163-D169 IonicContact NH2-OD2 2.67Å; R163-D169 PolarHBondContact NH2-OD2 2.87Å; D169-E171 VanDerWaalsContact C-N 3.26Å; D169-E171 PolarHBondContact O-N 3.45Å; D169-I172 PolarHBondContact O-N 2.83Å; D169-V173 WeakPolarHBondContact O-CG2 3.34Å; D169-V173 PolarHBondContact O-N 2.89Å
170N86.1Confident86.2Confident138 Ų13858.6 Ų58.674%0.73831%0.311SS*.Hα-helixtrans-64.3-25177.3-69.7-19.7000114.4N168N168-N170 VanDerWaalsContact C-N 3.26Å; N168-N170 PolarHBondContact O-N 3.46Å; N168-N170 VanDerWaalsContact O-N 3.13Å
171E87.6Confident86.7Confident78 Ų7856.7 Ų56.736%0.36430%0.301SS..Hα-helixtrans-82.8-37.3177.1-61.5177.1144.600110.8L167 N168 D169 V173 K174 F175L167-E171 HydrophobicContact CD2-CB 4.37Å; N168-E171 HydrophobicContact CB-CG 4.39Å; N168-E171 PolarHBondContact N-OE2 3.37Å; N168-E171 VanDerWaalsContact N-OE2 3.15Å; N168-E171 WeakPolarHBondContact O-CA 3.41Å; N168-E171 WeakPolarHBondContact O-CB 3.17Å; N168-E171 PolarHBondContact O-N 3.26Å; D169-E171 VanDerWaalsContact C-N 3.26Å; D169-E171 PolarHBondContact O-N 3.45Å; E171-V173 PolarHBondContact O-N 2.76Å; E171-K174 WeakPolarHBondContact O-CB 3.46Å; E171-K174 PolarHBondContact O-N 3.45Å; E171-K174 VanDerWaalsContact O-N 3.15Å; E171-F175 WeakPolarHBondContact O-CD2 3.37Å
172I90.2Very high87.3Confident0 Ų054.8 Ų54.80%029%0.292CS..Hα-helixtrans-58.9-37.5-179.1-60.8174.5000111L105 W159 M162 R163 L167 N168 D169 K174 F175L105-I172 HydrophobicContact CD1-CG2 3.8Å; L105-I172 HydrophobicContact CD2-CG2 4.23Å; L105-I172 HydrophobicContact CG-CG2 4.32Å; W159-I172 HydrophobicContact CD2-CD1 4.46Å; W159-I172 HydrophobicContact CD2-CG2 3.76Å; W159-I172 HydrophobicContact CE3-CB 4.3Å; W159-I172 HydrophobicContact CE3-CG2 3.41Å; W159-I172 VanDerWaalsContact CE3-CG2 3.41Å; W159-I172 HydrophobicContact CH2-CB 3.9Å; W159-I172 HydrophobicContact CH2-CG2 3.92Å; W159-I172 HydrophobicContact CZ2-CB 4.14Å; W159-I172 HydrophobicContact CZ2-CD1 4.24Å; W159-I172 HydrophobicContact CZ2-CG2 4.23Å; W159-I172 HydrophobicContact CZ3-CB 3.97Å; W159-I172 HydrophobicContact CZ3-CG2 3.48Å; W159-I172 VanDerWaalsContact CZ3-CG2 3.48Å; M162-I172 HydrophobicContact CB-CB 4.48Å; M162-I172 HydrophobicContact CB-CD1 3.99Å; M162-I172 HydrophobicContact CB-CG1 3.92Å; M162-I172 HydrophobicContact CB-CG2 3.77Å; M162-I172 HydrophobicContact CG-CG2 4.17Å; R163-I172 HydrophobicContact CB-CD1 4.09Å; L167-I172 HydrophobicContact CB-CD1 4.28Å; L167-I172 HydrophobicContact CB-CG1 3.69Å; L167-I172 HydrophobicContact CD1-CG1 4.4Å; N168-I172 WeakPolarHBondContact O-CG1 3.48Å; N168-I172 PolarHBondContact O-N 2.94Å; N168-I172 VanDerWaalsContact O-N 3.15Å; D169-I172 PolarHBondContact O-N 2.83Å; I172-K174 PolarHBondContact O-N 2.75Å; I172-F175 WeakPolarHBondContact O-CB 3.5Å; I172-F175 PolarHBondContact O-N 3.22Å
173V91Very high87.7Confident42 Ų4261 Ų6126%0.25532%0.321SS..G310 helixtrans-52.7-39.8178.1-175.70000112.6M109 N114 W159 D169 E171 F175 A176M109-V173 HydrophobicContact CE-CG1 4.48Å; M109-V173 HydrophobicContact SD-CB 4.3Å; M109-V173 HydrophobicContact SD-CG1 4.05Å; M109-V173 HydrophobicContact SD-CG2 4.25Å; N114-V173 WeakPolarHBondContact ND2-CG2 3.35Å; N114-V173 VanDerWaalsContact OD1-CG2 3.29Å; N114-V173 WeakPolarHBondContact OD1-CG2 3.43Å; W159-V173 HydrophobicContact CH2-CG2 4.05Å; W159-V173 HydrophobicContact CZ3-CG2 4.47Å; D169-V173 WeakPolarHBondContact O-CG2 3.34Å; D169-V173 PolarHBondContact O-N 2.89Å; E171-V173 PolarHBondContact O-N 2.76Å; V173-F175 PolarHBondContact O-N 3Å; V173-A176 VanDerWaalsContact O-CB 3.29Å; V173-A176 WeakPolarHBondContact O-CB 3.31Å; V173-A176 PolarHBondContact O-N 2.96Å; V173-A176 VanDerWaalsContact O-N 3.12Å
174K93.1Very high88.3Confident120 Ų12058.8 Ų58.852%0.52231%0.313SS..G310 helixtrans-65.4-24.6-177.4-60.6179.6-176.8176.80112.4E171 I172 A176 H177 H180E171-K174 WeakPolarHBondContact O-CB 3.46Å; E171-K174 PolarHBondContact O-N 3.45Å; E171-K174 VanDerWaalsContact O-N 3.15Å; I172-K174 PolarHBondContact O-N 2.75Å; K174-A176 PolarHBondContact O-N 2.9Å; K174-H177 PolarHBondContact O-N 3.39Å; K174-H180 HydrophobicContact CB-CB 4.5Å; K174-H180 WeakPolarHBondContact CB-CD2 3.26Å; K174-H180 WeakPolarHBondContact O-CB 3.33Å
175F92.4Very high89.2Confident0 Ų054.8 Ų54.80%028%0.284CS..G310 helixtrans-73.9-0.3177-69.6-94.8000113.9A102 L105 M162 L167 E171 I172 V173 H177 H180 W181 Y184 F185A102-F175 WeakPolarHBondContact CA-O 3.48Å; A102-F175 WeakPolarHBondContact CB-O 3.13Å; L105-F175 HydrophobicContact CD1-CB 3.85Å; M162-F175 HydrophobicContact CE-CB 3.78Å; M162-F175 HydrophobicContact CE-CD1 3.33Å; M162-F175 HydrophobicContact CE-CD2 3.63Å; M162-F175 HydrophobicContact CE-CE1 3.69Å; M162-F175 HydrophobicContact CE-CE2 3.97Å; M162-F175 HydrophobicContact CE-CG 3.28Å; M162-F175 HydrophobicContact CE-CZ 3.98Å; L167-F175 HydrophobicContact CD1-CD2 4.29Å; L167-F175 HydrophobicContact CD1-CE2 3.65Å; L167-F175 HydrophobicContact CD1-CZ 3.93Å; L167-F175 HydrophobicContact CD2-CE2 4.28Å; E171-F175 WeakPolarHBondContact O-CD2 3.37Å; I172-F175 WeakPolarHBondContact O-CB 3.5Å; I172-F175 PolarHBondContact O-N 3.22Å; V173-F175 PolarHBondContact O-N 3Å; F175-H177 PolarHBondContact O-N 3.41Å; F175-H180 AromaticContact CD2-CD2 3.81Å; F175-H180 AromaticContact CE2-CD2 3.78Å; F175-H180 AromaticContact CE2-NE2 3.91Å; F175-W181 HydrophobicContact CB-CZ2 4.16Å; F175-W181 AromaticContact CD1-CD1 3.84Å; F175-W181 AromaticContact CD1-CD2 3.82Å; F175-W181 HydrophobicContact CD1-CD2 3.82Å; F175-W181 AromaticContact CD1-CE2 3.64Å; F175-W181 HydrophobicContact CD1-CE3 4.47Å; F175-W181 AromaticContact CD1-CG 3.94Å; F175-W181 HydrophobicContact CD1-CG 3.94Å; F175-W181 HydrophobicContact CD1-CZ2 4.1Å; F175-W181 AromaticContact CD1-NE1 3.68Å; F175-W181 HydrophobicContact CE1-CD2 4.46Å; F175-W181 PolarHBondContact O-NE1 3.06Å; F175-Y184 AromaticContact CE1-CD1 3.92Å; F175-Y184 HydrophobicContact CE1-CD1 3.92Å; F175-Y184 HydrophobicContact CE1-CG 4.02Å; F175-Y184 AromaticContact CZ-CD1 3.54Å; F175-Y184 HydrophobicContact CZ-CD1 3.54Å; F175-Y184 AromaticContact CZ-CD2 3.9Å; F175-Y184 HydrophobicContact CZ-CD2 3.9Å; F175-Y184 AromaticContact CZ-CE1 3.96Å; F175-Y184 HydrophobicContact CZ-CE1 3.96Å; F175-Y184 HydrophobicContact CZ-CE2 4.3Å; F175-Y184 AromaticContact CZ-CG 3.51Å; F175-Y184 HydrophobicContact CZ-CG 3.51Å; F175-F185 HydrophobicContact CD1-CE2 4.37Å; F175-F185 HydrophobicContact CE1-CD2 4.39Å; F175-F185 AromaticContact CE1-CE2 3.71Å; F175-F185 HydrophobicContact CE1-CE2 3.71Å; F175-F185 HydrophobicContact CE1-CZ 4.19Å
176A89.8Confident90.3Very high8 Ų851.9 Ų51.97%0.06627%0.269CS..G310 helixtrans-63.5-24.5164.700000112.8L105 K106 M109 V173 K174L105-A176 HydrophobicContact CD2-CB 4.49Å; K106-A176 HydrophobicContact CB-CB 4.12Å; M109-A176 HydrophobicContact CE-CB 3.48Å; M109-A176 VanDerWaalsContact CE-CB 3.48Å; V173-A176 VanDerWaalsContact O-CB 3.29Å; V173-A176 WeakPolarHBondContact O-CB 3.31Å; V173-A176 PolarHBondContact O-N 2.96Å; V173-A176 VanDerWaalsContact O-N 3.12Å; K174-A176 PolarHBondContact O-N 2.9Å
177H91.4Very high91.4Very high118 Ų11852 Ų5255%0.54626%0.258SS..SBendtrans-99.2129175.3-63.5-78.4000109.6K174 F175 E179 H180 W181K174-H177 PolarHBondContact O-N 3.39Å; F175-H177 PolarHBondContact O-N 3.41Å; H177-E179 VanDerWaalsContact C-N 3.25Å; H177-E179 PolarHBondContact O-N 3.04Å; H177-H180 PolarHBondContact O-N 2.7Å; H177-W181 VanDerWaalsContact O-CD1 3.28Å
178A89.8Confident91.9Very high1 Ų153 Ų531%0.00826%0.263CS..Hα-helixtrans-68.2-29.1-174.700000111.8I98 K99 A102 H180 W181 L182 L587I98-A178 HydrophobicContact CG2-CB 4.32Å; K99-A178 HydrophobicContact CD-CB 3.93Å; A102-A178 HydrophobicContact CB-CB 4.29Å; A178-H180 VanDerWaalsContact C-N 3.26Å; A178-H180 PolarHBondContact O-N 3.29Å; A178-W181 VanDerWaalsContact O-CB 3.29Å; A178-W181 WeakPolarHBondContact O-CB 3.34Å; A178-W181 PolarHBondContact O-N 3.49Å; A178-L182 WeakPolarHBondContact O-CD1 3.37Å; A178-L587 HydrophobicContact CB-CD1 4.17Å; A178-L587 HydrophobicContact CB-CD2 4.12Å
179E91.6Very high92.4Very high103 Ų10348 Ų4848%0.48124%0.237SC..Hα-helixtrans-58.7-37.8176.8-61.772.7-159.600111.3H177 W181 L182 E183H177-E179 VanDerWaalsContact C-N 3.25Å; H177-E179 PolarHBondContact O-N 3.04Å; E179-W181 PolarHBondContact O-N 3.12Å; E179-L182 WeakPolarHBondContact O-CB 3.36Å; E179-L182 PolarHBondContact O-N 3.44Å; E179-E183 PolarHBondContact O-N 3.25Å
180H94.3Very high93Very high36 Ų3647 Ų4717%0.16723%0.231CC..Hα-helixtrans-64.7-28.6178-166.456.4000112.6K174 F175 H177 A178 L182 E183 Y184K174-H180 HydrophobicContact CB-CB 4.5Å; K174-H180 WeakPolarHBondContact CB-CD2 3.26Å; K174-H180 WeakPolarHBondContact O-CB 3.33Å; F175-H180 AromaticContact CD2-CD2 3.81Å; F175-H180 AromaticContact CE2-CD2 3.78Å; F175-H180 AromaticContact CE2-NE2 3.91Å; H177-H180 PolarHBondContact O-N 2.7Å; A178-H180 VanDerWaalsContact C-N 3.26Å; A178-H180 PolarHBondContact O-N 3.29Å; H180-L182 VanDerWaalsContact C-N 3.33Å; H180-E183 IonicContact ND1-OE2 2.76Å; H180-E183 PolarHBondContact ND1-OE2 3.04Å; H180-E183 PolarHBondContact O-N 3.14Å; H180-Y184 VanDerWaalsContact O-CB 3.24Å; H180-Y184 WeakPolarHBondContact O-CB 3.35Å; H180-Y184 PolarHBondContact O-N 2.82Å
181W93.7Very high93.5Very high2 Ų246 Ų461%0.00822%0.221CC..Hα-helixtrans-66.4-38.5174.7-63.763.9000111.3I98 C101 M162 F175 H177 A178 E179 E183 Y184 F185 P186I98-W181 HydrophobicContact CG2-CB 3.53Å; I98-W181 HydrophobicContact CG2-CD2 3.9Å; I98-W181 HydrophobicContact CG2-CE3 4.27Å; I98-W181 HydrophobicContact CG2-CG 3.58Å; C101-W181 HydrophobicContact CB-CH2 3.57Å; C101-W181 HydrophobicContact CB-CZ2 3.77Å; C101-W181 HydrophobicContact CB-CZ3 4.29Å; M162-W181 HydrophobicContact CE-CH2 4.22Å; M162-W181 HydrophobicContact CE-CZ2 4.27Å; M162-W181 HydrophobicContact SD-CH2 4.01Å; M162-W181 HydrophobicContact SD-CZ2 4.47Å; F175-W181 HydrophobicContact CB-CZ2 4.16Å; F175-W181 AromaticContact CD1-CD1 3.84Å; F175-W181 AromaticContact CD1-CD2 3.82Å; F175-W181 HydrophobicContact CD1-CD2 3.82Å; F175-W181 AromaticContact CD1-CE2 3.64Å; F175-W181 HydrophobicContact CD1-CE3 4.47Å; F175-W181 AromaticContact CD1-CG 3.94Å; F175-W181 HydrophobicContact CD1-CG 3.94Å; F175-W181 HydrophobicContact CD1-CZ2 4.1Å; F175-W181 AromaticContact CD1-NE1 3.68Å; F175-W181 HydrophobicContact CE1-CD2 4.46Å; F175-W181 PolarHBondContact O-NE1 3.06Å; H177-W181 VanDerWaalsContact O-CD1 3.28Å; A178-W181 VanDerWaalsContact O-CB 3.29Å; A178-W181 WeakPolarHBondContact O-CB 3.34Å; A178-W181 PolarHBondContact O-N 3.49Å; E179-W181 PolarHBondContact O-N 3.12Å; W181-E183 VanDerWaalsContact C-N 3.27Å; W181-E183 PolarHBondContact O-N 3.33Å; W181-Y184 PolarHBondContact O-N 3.23Å; W181-F185 HydrophobicContact CB-CD2 4.41Å; W181-F185 HydrophobicContact CD2-CD2 4.49Å; W181-F185 HydrophobicContact CD2-CE2 4.16Å; W181-F185 AromaticContact CE3-CD2 3.78Å; W181-F185 HydrophobicContact CE3-CD2 3.78Å; W181-F185 AromaticContact CE3-CE2 3.39Å; W181-F185 HydrophobicContact CE3-CE2 3.39Å; W181-F185 HydrophobicContact CZ3-CD2 4.43Å; W181-F185 AromaticContact CZ3-CE2 3.67Å; W181-F185 HydrophobicContact CZ3-CE2 3.67Å; W181-F185 HydrophobicContact CZ3-CZ 4.47Å; W181-F185 PolarHBondContact O-N 3.15Å; W181-P186 VanDerWaalsContact O-CD 3.26Å; W181-P186 WeakPolarHBondContact O-CD 3.31Å
182L93.9Very high94Very high14 Ų1442.4 Ų42.47%0.07320%0.204CC..Hα-helixtrans-69.6-25.2177.8-83.859.6000111.9C93 I98 A178 E179 H180 P186 I207 T209 V211 L587C93-L182 HydrophobicContact CB-CD1 4.04Å; C93-L182 HydrophobicContact CB-CD2 4.22Å; C93-L182 HydrophobicContact CB-CG 3.89Å; I98-L182 HydrophobicContact CD1-CD1 4.12Å; I98-L182 HydrophobicContact CG2-CD1 4.29Å; A178-L182 WeakPolarHBondContact O-CD1 3.37Å; E179-L182 WeakPolarHBondContact O-CB 3.36Å; E179-L182 PolarHBondContact O-N 3.44Å; H180-L182 VanDerWaalsContact C-N 3.33Å; L182-P186 VanDerWaalsContact O-CD 3.24Å; L182-P186 WeakPolarHBondContact O-CD 3.49Å; L182-P186 WeakPolarHBondContact O-CG 3.32Å; L182-I207 HydrophobicContact CD2-CD1 4.33Å; L182-T209 HydrophobicContact CD2-CG2 4.32Å; L182-T209 WeakPolarHBondContact CD2-OG1 3.38Å; L182-V211 HydrophobicContact CD2-CB 4.28Å; L182-V211 HydrophobicContact CD2-CG2 3.86Å; L182-L587 HydrophobicContact CD1-CD1 3.77Å
183E93Very high94.3Very high132 Ų13242.4 Ų42.462%0.61720%0.204SC*.Hα-helixtrans-84.2-32.3173.4-66.1173.7173.600112.4E179 H180 W181 P187E179-E183 PolarHBondContact O-N 3.25Å; H180-E183 IonicContact ND1-OE2 2.76Å; H180-E183 PolarHBondContact ND1-OE2 3.04Å; H180-E183 PolarHBondContact O-N 3.14Å; W181-E183 VanDerWaalsContact C-N 3.27Å; W181-E183 PolarHBondContact O-N 3.33Å; E183-P187 WeakPolarHBondContact O-CD 3.19Å; E183-P187 WeakPolarHBondContact O-CG 3.45Å
184Y94.1Very high94.6Very high69 Ų6943.4 Ų43.427%0.27121%0.205SC..Hα-helixtrans-89.9-54.3-171-172.1-91.8000113.6L167 F175 H180 W181 L188L167-Y184 HydrophobicContact CD2-CE1 4.32Å; L167-Y184 HydrophobicContact CD2-CE2 4.09Å; L167-Y184 VanDerWaalsContact CD2-OH 3.25Å; L167-Y184 WeakPolarHBondContact CD2-OH 3.49Å; F175-Y184 AromaticContact CE1-CD1 3.92Å; F175-Y184 HydrophobicContact CE1-CD1 3.92Å; F175-Y184 HydrophobicContact CE1-CG 4.02Å; F175-Y184 AromaticContact CZ-CD1 3.54Å; F175-Y184 HydrophobicContact CZ-CD1 3.54Å; F175-Y184 AromaticContact CZ-CD2 3.9Å; F175-Y184 HydrophobicContact CZ-CD2 3.9Å; F175-Y184 AromaticContact CZ-CE1 3.96Å; F175-Y184 HydrophobicContact CZ-CE1 3.96Å; F175-Y184 HydrophobicContact CZ-CE2 4.3Å; F175-Y184 AromaticContact CZ-CG 3.51Å; F175-Y184 HydrophobicContact CZ-CG 3.51Å; H180-Y184 VanDerWaalsContact O-CB 3.24Å; H180-Y184 WeakPolarHBondContact O-CB 3.35Å; H180-Y184 PolarHBondContact O-N 2.82Å; W181-Y184 PolarHBondContact O-N 3.23Å; Y184-L188 HydrophobicContact CD1-CD1 3.68Å; Y184-L188 HydrophobicContact CE1-CD1 3.21Å; Y184-L188 HydrophobicContact CE2-CD1 4.4Å; Y184-L188 HydrophobicContact CG-CD1 4.44Å; Y184-L188 VanDerWaalsContact O-CG 3.32Å; Y184-L188 WeakPolarHBondContact O-CG 3.49Å
185F95.4Very high94.8Very high4 Ų440.4 Ų40.42%0.01819%0.193CC..Hα-helixtrans-76-40.7-172.6-72.8-64.3000114.4M56 R59 L165 F175 W181 L188 A189M56-F185 HydrophobicContact CB-CB 4.45Å; R59-F185 HydrophobicContact CG-CD1 4.42Å; R59-F185 HydrophobicContact CG-CE1 4.4Å; L165-F185 HydrophobicContact CD1-CZ 4.24Å; F175-F185 HydrophobicContact CD1-CE2 4.37Å; F175-F185 HydrophobicContact CE1-CD2 4.39Å; F175-F185 AromaticContact CE1-CE2 3.71Å; F175-F185 HydrophobicContact CE1-CE2 3.71Å; F175-F185 HydrophobicContact CE1-CZ 4.19Å; W181-F185 HydrophobicContact CB-CD2 4.41Å; W181-F185 HydrophobicContact CD2-CD2 4.49Å; W181-F185 HydrophobicContact CD2-CE2 4.16Å; W181-F185 AromaticContact CE3-CD2 3.78Å; W181-F185 HydrophobicContact CE3-CD2 3.78Å; W181-F185 AromaticContact CE3-CE2 3.39Å; W181-F185 HydrophobicContact CE3-CE2 3.39Å; W181-F185 HydrophobicContact CZ3-CD2 4.43Å; W181-F185 AromaticContact CZ3-CE2 3.67Å; W181-F185 HydrophobicContact CZ3-CE2 3.67Å; W181-F185 HydrophobicContact CZ3-CZ 4.47Å; W181-F185 PolarHBondContact O-N 3.15Å; F185-L188 PolarHBondContact O-N 2.85Å; F185-A189 PolarHBondContact O-N 2.8Å
186P96.6Very high95.1Very high0 Ų040.4 Ų40.40%019%0.193CC..Hα-helixtrans-57.9-46.3-179.8-28.238.3000114.3M56 L91 W181 L182 L188 A189 I190 I207 L623M56-P186 HydrophobicContact CB-CG 4.2Å; M56-P186 HydrophobicContact CG-CG 3.92Å; M56-P186 HydrophobicContact SD-CB 4.37Å; M56-P186 HydrophobicContact SD-CG 4.1Å; L91-P186 HydrophobicContact CD1-CB 3.6Å; W181-P186 VanDerWaalsContact O-CD 3.26Å; W181-P186 WeakPolarHBondContact O-CD 3.31Å; L182-P186 VanDerWaalsContact O-CD 3.24Å; L182-P186 WeakPolarHBondContact O-CD 3.49Å; L182-P186 WeakPolarHBondContact O-CG 3.32Å; P186-L188 VanDerWaalsContact C-N 3.33Å; P186-L188 PolarHBondContact O-N 2.93Å; P186-A189 PolarHBondContact O-N 2.94Å; P186-I190 PolarHBondContact O-N 3.32Å; P186-I190 VanDerWaalsContact O-N 3.12Å; P186-I207 HydrophobicContact CB-CG2 4.07Å; P186-I207 HydrophobicContact CG-CG2 4.12Å; P186-L623 HydrophobicContact CB-CD1 3.8Å
187P96.9Very high95.4Very high64 Ų6440.2 Ų40.242%0.41619%0.191SC..Hα-helixtrans-64.1-35.6175-24.837.5000113.4E183 I190 K191 L623E183-P187 WeakPolarHBondContact O-CD 3.19Å; E183-P187 WeakPolarHBondContact O-CG 3.45Å; P187-I190 PolarHBondContact O-N 2.94Å; P187-K191 WeakPolarHBondContact O-CB 3.23Å; P187-K191 PolarHBondContact O-N 3.37Å; P187-L623 HydrophobicContact CG-CD1 4.27Å
188L96.2Very high95.7Very high27 Ų2734.8 Ų34.814%0.14117%0.167CC..Hα-helixtrans-66.8-38.4175.5-70178.3000112.2Y184 F185 P186 K191 D192Y184-L188 HydrophobicContact CD1-CD1 3.68Å; Y184-L188 HydrophobicContact CE1-CD1 3.21Å; Y184-L188 HydrophobicContact CE2-CD1 4.4Å; Y184-L188 HydrophobicContact CG-CD1 4.44Å; Y184-L188 VanDerWaalsContact O-CG 3.32Å; Y184-L188 WeakPolarHBondContact O-CG 3.49Å; F185-L188 PolarHBondContact O-N 2.85Å; P186-L188 VanDerWaalsContact C-N 3.33Å; P186-L188 PolarHBondContact O-N 2.93Å; L188-K191 PolarHBondContact O-N 2.77Å; L188-D192 WeakPolarHBondContact O-CB 3.46Å; L188-D192 PolarHBondContact O-N 2.67Å
189A97.3Very high96.1Very high5 Ų535.5 Ų35.54%0.04117%0.169CC..Hα-helixtrans-62.1-44.5174.600000111.2M56 L60 L91 F185 P186 D192 L193M56-A189 HydrophobicContact CE-CB 4.27Å; M56-A189 HydrophobicContact SD-CB 4.07Å; L60-A189 HydrophobicContact CD1-CB 4.34Å; L60-A189 HydrophobicContact CG-CB 4.42Å; L91-A189 HydrophobicContact CD2-CB 3.95Å; F185-A189 PolarHBondContact O-N 2.8Å; P186-A189 PolarHBondContact O-N 2.94Å; A189-D192 PolarHBondContact O-N 3.06Å; A189-L193 WeakPolarHBondContact O-CB 3.15Å; A189-L193 WeakPolarHBondContact O-CD1 3.38Å; A189-L193 WeakPolarHBondContact O-CG 3.29Å; A189-L193 PolarHBondContact O-N 3.42Å
190I97.7Very high96.4Very high25 Ų2530.7 Ų30.713%0.12815%0.147CC..Hα-helixtrans-60.3-47.6173.5-69.8-167.4000110.9L91 P186 P187 D192 L193 K194 W202 L623L91-I190 HydrophobicContact CD1-CD1 4.36Å; L91-I190 HydrophobicContact CD1-CG1 4.1Å; P186-I190 PolarHBondContact O-N 3.32Å; P186-I190 VanDerWaalsContact O-N 3.12Å; P187-I190 PolarHBondContact O-N 2.94Å; I190-D192 PolarHBondContact O-N 3.07Å; I190-L193 PolarHBondContact O-N 3.16Å; I190-K194 HydrophobicContact CG2-CD 4.17Å; I190-K194 HydrophobicContact CG2-CG 4.25Å; I190-K194 WeakPolarHBondContact O-CB 3.25Å; I190-K194 WeakPolarHBondContact O-CG 3.4Å; I190-K194 PolarHBondContact O-N 2.73Å; I190-W202 HydrophobicContact CB-CZ3 4.33Å; I190-W202 HydrophobicContact CD1-CE3 4.12Å; I190-W202 HydrophobicContact CD1-CZ3 4.46Å; I190-W202 HydrophobicContact CG1-CE3 4.13Å; I190-W202 HydrophobicContact CG1-CZ3 3.99Å; I190-W202 HydrophobicContact CG2-CD2 4.31Å; I190-W202 HydrophobicContact CG2-CE3 3.91Å; I190-W202 HydrophobicContact CG2-CZ3 4.07Å; I190-L623 HydrophobicContact CD1-CD1 3.97Å; I190-L623 HydrophobicContact CD1-CD2 3.67Å; I190-L623 HydrophobicContact CD1-CG 4.08Å
191K97.3Very high96.6Very high118 Ų11829 Ų2951%0.51314%0.139SC..Hα-helixtrans-57.1-50178.8-178.4-178.9177.9177.90111.5P187 L188 L193 K194 Q195P187-K191 WeakPolarHBondContact O-CB 3.23Å; P187-K191 PolarHBondContact O-N 3.37Å; L188-K191 PolarHBondContact O-N 2.77Å; K191-L193 VanDerWaalsContact C-N 3.31Å; K191-L193 PolarHBondContact O-N 2.66Å; K191-K194 PolarHBondContact O-N 2.73Å; K191-Q195 WeakPolarHBondContact O-CG 3.44Å; K191-Q195 PolarHBondContact O-N 2.82Å
192D97.3Very high96.8Very high2 Ų230.5 Ų30.51%0.01115%0.145CC..Hα-helixtrans-64.3-36.7-178.2-67.4-7.4000111.2R59 L188 A189 I190 M196 L735R59-D192 IonicContact CZ-OD2 3.39Å; R59-D192 IonicContact NH1-OD1 3.51Å; R59-D192 PolarHBondContact NH1-OD1 3.49Å; R59-D192 IonicContact NH1-OD2 2.75Å; R59-D192 PolarHBondContact NH1-OD2 3.04Å; L188-D192 WeakPolarHBondContact O-CB 3.46Å; L188-D192 PolarHBondContact O-N 2.67Å; A189-D192 PolarHBondContact O-N 3.06Å; I190-D192 PolarHBondContact O-N 3.07Å; D192-M196 PolarHBondContact O-N 3.33Å; D192-M196 VanDerWaalsContact O-N 3.17Å; D192-L735 HydrophobicContact CB-CD2 3.84Å; D192-L735 HydrophobicContact CB-CG 4.21Å
193L98.1Very high97Very high0 Ų032.3 Ų32.30%015%0.151CC..Hα-helixtrans-72.3-39.6175.7-70.3168.5000112.7L60 L68 F89 A189 I190 K191 Q195 M196 G197 V198 W202 L735L60-L193 HydrophobicContact CD1-CD1 4.07Å; L60-L193 HydrophobicContact CD1-CD2 4.03Å; L60-L193 HydrophobicContact CD1-CG 3.98Å; L68-L193 HydrophobicContact CD1-CD2 4.47Å; L68-L193 HydrophobicContact CD2-CD2 3.82Å; F89-L193 HydrophobicContact CD1-CD1 3.78Å; F89-L193 HydrophobicContact CD2-CD1 4.24Å; F89-L193 HydrophobicContact CE1-CD1 3.61Å; F89-L193 HydrophobicContact CE2-CD1 4.08Å; F89-L193 HydrophobicContact CG-CD1 4.1Å; F89-L193 HydrophobicContact CZ-CD1 3.76Å; A189-L193 WeakPolarHBondContact O-CB 3.15Å; A189-L193 WeakPolarHBondContact O-CD1 3.38Å; A189-L193 WeakPolarHBondContact O-CG 3.29Å; A189-L193 PolarHBondContact O-N 3.42Å; I190-L193 PolarHBondContact O-N 3.16Å; K191-L193 VanDerWaalsContact C-N 3.31Å; K191-L193 PolarHBondContact O-N 2.66Å; L193-Q195 VanDerWaalsContact C-N 3.3Å; L193-Q195 PolarHBondContact O-N 2.71Å; L193-M196 WeakPolarHBondContact O-CB 3.35Å; L193-M196 PolarHBondContact O-N 2.94Å; L193-M196 VanDerWaalsContact O-N 3.08Å; L193-G197 PolarHBondContact O-N 2.95Å; L193-V198 HydrophobicContact CB-CG2 3.97Å; L193-V198 HydrophobicContact CD2-CG1 4.42Å; L193-V198 PolarHBondContact O-N 2.92Å; L193-W202 HydrophobicContact CB-CH2 3.57Å; L193-W202 HydrophobicContact CB-CZ2 4.28Å; L193-W202 HydrophobicContact CD1-CH2 4.14Å; L193-W202 HydrophobicContact CD1-CZ3 4.43Å; L193-L735 HydrophobicContact CD2-CD2 4.02Å; L193-L735 HydrophobicContact CG-CD2 4.4Å
194K97.4Very high97.2Very high63 Ų6326 Ų2627%0.27412%0.122SC..Hα-helixtrans-60-41.7171.8-75.8-169.2178.7-153.10111.2E25 I190 K191 M196 G197 W202E25-K194 IonicContact OE1-NZ 2.87Å; E25-K194 PolarHBondContact OE1-NZ 3.02Å; E25-K194 IonicContact OE2-NZ 2.8Å; E25-K194 PolarHBondContact OE2-NZ 3.43Å; I190-K194 HydrophobicContact CG2-CD 4.17Å; I190-K194 HydrophobicContact CG2-CG 4.25Å; I190-K194 WeakPolarHBondContact O-CB 3.25Å; I190-K194 WeakPolarHBondContact O-CG 3.4Å; I190-K194 PolarHBondContact O-N 2.73Å; K191-K194 PolarHBondContact O-N 2.73Å; K194-M196 PolarHBondContact O-N 3.28Å; K194-G197 WeakPolarHBondContact O-CA 3.42Å; K194-G197 PolarHBondContact O-N 2.92Å; K194-W202 HydrophobicContact CG-CD2 4.33Å; K194-W202 HydrophobicContact CG-CH2 4.36Å; K194-W202 HydrophobicContact CG-CZ2 3.53Å
195Q97.1Very high97.4Very high57 Ų5722.8 Ų22.827%0.26611%0.109SC..Hα-helixtrans-64.1-24.4174.1-73.3-178.3-16.500113.7Q21 K191 L193 G197 I739Q21-Q195 PolarHBondContact NE2-O 2.85Å; K191-Q195 WeakPolarHBondContact O-CG 3.44Å; K191-Q195 PolarHBondContact O-N 2.82Å; L193-Q195 VanDerWaalsContact C-N 3.3Å; L193-Q195 PolarHBondContact O-N 2.71Å; Q195-G197 VanDerWaalsContact C-N 3.29Å; Q195-I739 HydrophobicContact CB-CD1 3.94Å
196M97.9Very high97.6Very high0 Ų022.6 Ų22.60%011%0.108CC..Hα-helixtrans-76.9-16.4170.8-177.9175.8171.900112.7L68 D192 L193 K194 V198 L735 I739 M747 R748 H873L68-M196 HydrophobicContact CD1-CE 4.1Å; L68-M196 HydrophobicContact CD1-SD 4.18Å; D192-M196 PolarHBondContact O-N 3.33Å; D192-M196 VanDerWaalsContact O-N 3.17Å; L193-M196 WeakPolarHBondContact O-CB 3.35Å; L193-M196 PolarHBondContact O-N 2.94Å; L193-M196 VanDerWaalsContact O-N 3.08Å; K194-M196 PolarHBondContact O-N 3.28Å; M196-V198 HydrophobicContact CB-CG1 4.3Å; M196-V198 HydrophobicContact CG-CG1 4.09Å; M196-V198 HydrophobicContact SD-CG1 4.01Å; M196-L735 HydrophobicContact CB-CD1 4.3Å; M196-L735 HydrophobicContact CG-CD1 4.45Å; M196-L735 HydrophobicContact SD-CD1 3.95Å; M196-I739 HydrophobicContact CB-CD1 4.12Å; M196-M747 HydrophobicContact CE-CE 3.95Å; M196-M747 HydrophobicContact CG-CE 3.78Å; M196-M747 HydrophobicContact SD-CE 3.86Å; M196-R748 HydrophobicContact CE-CG 3.9Å; M196-R748 HydrophobicContact CG-CG 4.5Å; M196-R748 PolarHBondContact O-NH1 2.98Å; M196-H873 PolarHBondContact O-CE1 2.69Å
197G97.3Very high97.6Very high4 Ų422.8 Ų22.84%0.04111%0.109CC..THydrogen-bonded Turntrans70.541.4-176.100000113.4L193 K194 Q195 R748 H873L193-G197 PolarHBondContact O-N 2.95Å; K194-G197 WeakPolarHBondContact O-CA 3.42Å; K194-G197 PolarHBondContact O-N 2.92Å; Q195-G197 VanDerWaalsContact C-N 3.29Å; G197-R748 PolarHBondContact O-NH1 3.26Å; G197-H873 WeakPolarHBondContact CA-NE2 3.3Å
198V97.5Very high97.6Very high4 Ų419.7 Ų19.72%0.0249%0.089CC..  trans-72143.2174.4-60.50000111L68 E72 L193 M196 V200 W202L68-V198 HydrophobicContact CD1-CG1 4.14Å; E72-V198 WeakPolarHBondContact OE2-CA 3.36Å; L193-V198 HydrophobicContact CB-CG2 3.97Å; L193-V198 HydrophobicContact CD2-CG1 4.42Å; L193-V198 PolarHBondContact O-N 2.92Å; M196-V198 HydrophobicContact CB-CG1 4.3Å; M196-V198 HydrophobicContact CG-CG1 4.09Å; M196-V198 HydrophobicContact SD-CG1 4.01Å; V198-V200 HydrophobicContact CB-CG2 4Å; V198-V200 HydrophobicContact CG2-CB 4.03Å; V198-V200 HydrophobicContact CG2-CG2 3.5Å; V198-V200 PolarHBondContact O-N 2.91Å; V198-W202 HydrophobicContact CG2-CH2 3.75Å; V198-W202 HydrophobicContact CG2-CZ2 3.56Å
199K97.8Very high97.6Very high16 Ų1618.4 Ų18.47%0.078%0.083CC..  trans-8358.6-177-60.2-179-17569.90111.4F30 E72 V75 M889F30-K199 HydrophobicContact CD1-CB 3.88Å; F30-K199 HydrophobicContact CD1-CG 4.03Å; F30-K199 HydrophobicContact CE1-CB 4.05Å; F30-K199 HydrophobicContact CE1-CD 4.17Å; F30-K199 HydrophobicContact CE1-CG 3.66Å; F30-K199 HydrophobicContact CE2-CG 4.43Å; F30-K199 HydrophobicContact CG-CB 4.15Å; F30-K199 HydrophobicContact CZ-CB 4.44Å; F30-K199 HydrophobicContact CZ-CG 3.88Å; E72-K199 IonicContact OE1-NZ 3.31Å; E72-K199 PolarHBondContact OE1-NZ 2.98Å; E72-K199 PolarHBondContact OE2-N 3.01Å; V75-K199 HydrophobicContact CG2-CB 4.02Å; V75-K199 HydrophobicContact CG2-CD 4.21Å; K199-M889 HydrophobicContact CD-SD 4.45Å
200V98.3Very high97.4Very high2 Ų221.6 Ų21.61%0.01210%0.099CC..  trans-103.1136.3-172.2171.30000112.5F87 F89 V198 W202F87-V200 HydrophobicContact CD1-CG2 3.65Å; F87-V200 HydrophobicContact CE1-CG2 3.81Å; F87-V200 HydrophobicContact CG-CG2 4.06Å; F87-V200 HydrophobicContact CZ-CG2 4.33Å; F87-V200 WeakPolarHBondContact O-CA 3.23Å; F89-V200 HydrophobicContact CB-CG1 3.84Å; F89-V200 HydrophobicContact CB-CG2 4.31Å; V198-V200 HydrophobicContact CB-CG2 4Å; V198-V200 HydrophobicContact CG2-CB 4.03Å; V198-V200 HydrophobicContact CG2-CG2 3.5Å; V198-V200 PolarHBondContact O-N 2.91Å; V200-W202 HydrophobicContact CB-CD2 4.22Å; V200-W202 HydrophobicContact CB-CE3 4.42Å; V200-W202 HydrophobicContact CB-CH2 3.97Å; V200-W202 HydrophobicContact CB-CZ2 3.77Å; V200-W202 HydrophobicContact CB-CZ3 4.3Å; V200-W202 HydrophobicContact CG1-CD2 3.81Å; V200-W202 HydrophobicContact CG1-CE3 3.7Å; V200-W202 HydrophobicContact CG1-CG 4.48Å; V200-W202 HydrophobicContact CG1-CH2 3.96Å; V200-W202 HydrophobicContact CG1-CZ2 4.1Å; V200-W202 HydrophobicContact CG1-CZ3 3.77Å; V200-W202 HydrophobicContact CG2-CH2 4.35Å; V200-W202 HydrophobicContact CG2-CZ2 4.44Å; V200-W202 PolarHBondContact O-N 2.89Å; V200-W202 PolarHBondContact O-NE1 3.31Å
201D98.1Very high97.3Very high1 Ų122.7 Ų22.71%0.00511%0.106CC..  trans-81.195.1166.2-174.8-10.7000109.7L86 F87 R203 R204L86-D201 HydrophobicContact CD1-CB 4.38Å; F87-D201 PolarHBondContact O-N 3.15Å; D201-R203 PolarHBondContact O-N 3.14Å; D201-R203 WeakPolarHBondContact OD1-CB 3.48Å; D201-R203 IonicContact OD1-CZ 3.37Å; D201-R203 PolarHBondContact OD1-N 3.4Å; D201-R203 IonicContact OD1-NE 3.28Å; D201-R203 PolarHBondContact OD1-NE 3.47Å; D201-R203 IonicContact OD1-NH2 2.73Å; D201-R203 IonicContact OD2-CZ 3.53Å; D201-R203 IonicContact OD2-NE 3.54Å; D201-R203 IonicContact OD2-NH2 2.66Å; D201-R203 PolarHBondContact OD2-NH2 3.41Å; D201-R204 HydrophobicContact CB-CG 4.39Å; D201-R204 WeakPolarHBondContact O-CB 3.45Å; D201-R204 PolarHBondContact O-N 3.32Å; D201-R204 VanDerWaalsContact O-N 3.13Å; D201-R204 WeakPolarHBondContact OD2-CD 3.41Å; D201-R204 IonicContact OD2-CZ 3.95Å; D201-R204 IonicContact OD2-NE 3.13Å; D201-R204 PolarHBondContact OD2-NE 2.81Å
202W97.8Very high97.3Very high34 Ų3417 Ų1713%0.1298%0.082CC..G310 helixtrans-66.7-19.1-175.4-60.1107.8000114.1F89 I190 L193 K194 V198 V200 R204 S205F89-W202 HydrophobicContact CB-CZ3 4.43Å; I190-W202 HydrophobicContact CB-CZ3 4.33Å; I190-W202 HydrophobicContact CD1-CE3 4.12Å; I190-W202 HydrophobicContact CD1-CZ3 4.46Å; I190-W202 HydrophobicContact CG1-CE3 4.13Å; I190-W202 HydrophobicContact CG1-CZ3 3.99Å; I190-W202 HydrophobicContact CG2-CD2 4.31Å; I190-W202 HydrophobicContact CG2-CE3 3.91Å; I190-W202 HydrophobicContact CG2-CZ3 4.07Å; L193-W202 HydrophobicContact CB-CH2 3.57Å; L193-W202 HydrophobicContact CB-CZ2 4.28Å; L193-W202 HydrophobicContact CD1-CH2 4.14Å; L193-W202 HydrophobicContact CD1-CZ3 4.43Å; K194-W202 HydrophobicContact CG-CD2 4.33Å; K194-W202 HydrophobicContact CG-CH2 4.36Å; K194-W202 HydrophobicContact CG-CZ2 3.53Å; V198-W202 HydrophobicContact CG2-CH2 3.75Å; V198-W202 HydrophobicContact CG2-CZ2 3.56Å; V200-W202 HydrophobicContact CB-CD2 4.22Å; V200-W202 HydrophobicContact CB-CE3 4.42Å; V200-W202 HydrophobicContact CB-CH2 3.97Å; V200-W202 HydrophobicContact CB-CZ2 3.77Å; V200-W202 HydrophobicContact CB-CZ3 4.3Å; V200-W202 HydrophobicContact CG1-CD2 3.81Å; V200-W202 HydrophobicContact CG1-CE3 3.7Å; V200-W202 HydrophobicContact CG1-CG 4.48Å; V200-W202 HydrophobicContact CG1-CH2 3.96Å; V200-W202 HydrophobicContact CG1-CZ2 4.1Å; V200-W202 HydrophobicContact CG1-CZ3 3.77Å; V200-W202 HydrophobicContact CG2-CH2 4.35Å; V200-W202 HydrophobicContact CG2-CZ2 4.44Å; V200-W202 PolarHBondContact O-N 2.89Å; V200-W202 PolarHBondContact O-NE1 3.31Å; W202-R204 PolarHBondContact O-N 2.82Å; W202-R204 VanDerWaalsContact O-N 3.16Å; W202-S205 WeakPolarHBondContact O-CB 3.28Å; W202-S205 PolarHBondContact O-N 2.87Å; W202-S205 VanDerWaalsContact O-N 3.14Å
203R97.8Very high97.3Very high51 Ų5118.8 Ų18.819%0.1929%0.093CC..G310 helixtrans-63.8-20.8174.9-54.7173.7-62.216112.6111.4E31 D33 D201 H616 G621E31-R203 VanDerWaalsContact CD-CD 3.42Å; E31-R203 HydrophobicContact CG-CG 4.46Å; E31-R203 VanDerWaalsContact OE2-CD 3.28Å; E31-R203 WeakPolarHBondContact OE2-CD 3.37Å; E31-R203 IonicContact OE2-CZ 2.77Å; E31-R203 IonicContact OE2-NE 2.81Å; E31-R203 PolarHBondContact OE2-NE 3.11Å; E31-R203 IonicContact OE2-NH1 3.59Å; D33-R203 IonicContact OD1-CZ 3.29Å; D33-R203 IonicContact OD1-NH1 2.67Å; D33-R203 PolarHBondContact OD1-NH1 2.88Å; D33-R203 IonicContact OD1-NH2 2.65Å; D33-R203 PolarHBondContact OD1-NH2 3.08Å; D201-R203 PolarHBondContact O-N 3.14Å; D201-R203 WeakPolarHBondContact OD1-CB 3.48Å; D201-R203 IonicContact OD1-CZ 3.37Å; D201-R203 PolarHBondContact OD1-N 3.4Å; D201-R203 IonicContact OD1-NE 3.28Å; D201-R203 PolarHBondContact OD1-NE 3.47Å; D201-R203 IonicContact OD1-NH2 2.73Å; D201-R203 IonicContact OD2-CZ 3.53Å; D201-R203 IonicContact OD2-NE 3.54Å; D201-R203 IonicContact OD2-NH2 2.66Å; D201-R203 PolarHBondContact OD2-NH2 3.41Å; R203-H616 HydrophobicContact CB-CB 3.57Å; R203-H616 VanDerWaalsContact O-CA 3.23Å; R203-H616 WeakPolarHBondContact O-CA 3.46Å; R203-H616 PolarHBondContact O-N 2.98Å; R203-G621 WeakPolarHBondContact O-CA 3.44Å; R203-G621 PolarHBondContact O-N 3.07Å
204R98.5Very high97.3Very high0 Ų018.9 Ų18.90%09%0.094CC..G310 helixtrans-95.24.9-179.1-57.3172.6-177.6-94.25113.1N32 L86 P88 D201 W202 F206 Y612 T613 A615 H616 E669N32-R204 PolarHBondContact O-NH2 3.01Å; L86-R204 VanDerWaalsContact CD1-CD 3.48Å; P88-R204 HydrophobicContact CB-CB 3.93Å; D201-R204 HydrophobicContact CB-CG 4.39Å; D201-R204 WeakPolarHBondContact O-CB 3.45Å; D201-R204 PolarHBondContact O-N 3.32Å; D201-R204 VanDerWaalsContact O-N 3.13Å; D201-R204 WeakPolarHBondContact OD2-CD 3.41Å; D201-R204 IonicContact OD2-CZ 3.95Å; D201-R204 IonicContact OD2-NE 3.13Å; D201-R204 PolarHBondContact OD2-NE 2.81Å; W202-R204 PolarHBondContact O-N 2.82Å; W202-R204 VanDerWaalsContact O-N 3.16Å; R204-F206 WeakPolarHBondContact O-CD1 3.28Å; R204-Y612 WeakPolarHBondContact CD-O 3.34Å; R204-Y612 PolarHBondContact NH1-O 3.32Å; R204-T613 PolarHBondContact NH1-O 2.93Å; R204-A615 HydrophobicContact CB-CB 4.36Å; R204-H616 HydrophobicContact CG-CB 3.67Å; R204-H616 VanDerWaalsContact CZ-ND1 3.32Å; R204-H616 PolarHBondContact NH1-CE1 2.91Å; R204-H616 VanDerWaalsContact NH1-CE1 3.28Å; R204-H616 PolarHBondContact NH1-ND1 3.46Å; R204-H616 VanDerWaalsContact NH1-ND1 3.14Å; R204-H616 PolarHBondContact NH2-CE1 3.35Å; R204-H616 PolarHBondContact NH2-NE2 3.07Å; R204-E669 IonicContact CZ-OE2 2.76Å; R204-E669 IonicContact NH1-OE2 3.74Å; R204-E669 IonicContact NH2-OE2 3.7Å; R204-E669 PolarHBondContact NH2-OE2 2.97Å
205S98.3Very high97.4Very high1 Ų115.9 Ų15.91%0.0078%0.081CC..  trans-80.5144.1177.3-67.30000112.4F89 W202 Q619F89-S205 VanDerWaalsContact O-CA 3.31Å; F89-S205 WeakPolarHBondContact O-CA 3.5Å; F89-S205 WeakPolarHBondContact O-CB 3.43Å; F89-S205 PolarHBondContact O-OG 3.42Å; W202-S205 WeakPolarHBondContact O-CB 3.28Å; W202-S205 PolarHBondContact O-N 2.87Å; W202-S205 VanDerWaalsContact O-N 3.14Å; S205-Q619 PolarHBondContact O-NE2 3.48Å
206F98.2Very high97.4Very high0 Ų013.9 Ų13.90%07%0.072CC..  trans-158.6162.7-175.763.1-96.9000112.5L91 R204 T208 Y215 Y608 Y611 Y612 A615 L623L91-F206 PolarHBondContact N-O 3.48Å; R204-F206 WeakPolarHBondContact O-CD1 3.28Å; F206-T208 HydrophobicContact CD2-CG2 3.94Å; F206-T208 HydrophobicContact CE2-CG2 3.66Å; F206-Y215 AromaticContact CD2-CD2 3.7Å; F206-Y215 HydrophobicContact CD2-CD2 3.7Å; F206-Y215 HydrophobicContact CD2-CE2 4.07Å; F206-Y215 HydrophobicContact CD2-CG 4.23Å; F206-Y215 AromaticContact CE2-CD2 3.34Å; F206-Y215 HydrophobicContact CE2-CD2 3.34Å; F206-Y215 AromaticContact CE2-CE2 3.25Å; F206-Y215 HydrophobicContact CE2-CE2 3.25Å; F206-Y215 HydrophobicContact CE2-CG 4.21Å; F206-Y215 HydrophobicContact CZ-CD2 4.03Å; F206-Y215 AromaticContact CZ-CE2 3.79Å; F206-Y215 HydrophobicContact CZ-CE2 3.79Å; F206-Y608 AromaticContact CZ-CD2 4Å; F206-Y608 HydrophobicContact CZ-CD2 4Å; F206-Y611 HydrophobicContact CB-CE1 4.23Å; F206-Y611 AromaticContact CD1-CD1 3.66Å; F206-Y611 HydrophobicContact CD1-CD1 3.66Å; F206-Y611 AromaticContact CD1-CE1 3.6Å; F206-Y611 HydrophobicContact CD1-CE1 3.6Å; F206-Y611 HydrophobicContact CD2-CD1 4.31Å; F206-Y611 HydrophobicContact CD2-CE1 4.15Å; F206-Y611 AromaticContact CE1-CD1 3.42Å; F206-Y611 HydrophobicContact CE1-CD1 3.42Å; F206-Y611 VanDerWaalsContact CE1-CD1 3.42Å; F206-Y611 AromaticContact CE1-CE1 3.88Å; F206-Y611 HydrophobicContact CE1-CE1 3.88Å; F206-Y611 HydrophobicContact CE2-CD1 4.13Å; F206-Y611 HydrophobicContact CE2-CE1 4.42Å; F206-Y611 HydrophobicContact CG-CD1 4.11Å; F206-Y611 AromaticContact CG-CE1 3.75Å; F206-Y611 HydrophobicContact CG-CE1 3.75Å; F206-Y611 AromaticContact CZ-CD1 3.67Å; F206-Y611 HydrophobicContact CZ-CD1 3.67Å; F206-Y611 HydrophobicContact CZ-CE1 4.29Å; F206-Y612 HydrophobicContact CD1-CD1 4.18Å; F206-Y612 HydrophobicContact CD1-CE1 4.19Å; F206-Y612 AromaticContact CE1-CD1 3.36Å; F206-Y612 HydrophobicContact CE1-CD1 3.36Å; F206-Y612 AromaticContact CE1-CE1 3.38Å; F206-Y612 HydrophobicContact CE1-CE1 3.38Å; F206-Y612 HydrophobicContact CE1-CG 4.29Å; F206-Y612 HydrophobicContact CZ-CD1 4.2Å; F206-Y612 AromaticContact CZ-CE1 3.96Å; F206-Y612 HydrophobicContact CZ-CE1 3.96Å; F206-A615 HydrophobicContact CD1-CB 4.28Å; F206-L623 WeakPolarHBondContact CA-O 3.43Å
207I97.6Very high97.4Very high4 Ų414.8 Ų14.82%0.0218%0.078CC..BIsolated β-bridgetrans-104163.3166.472-176.5000111.1L91 L182 P186 V211 N212 L623 N624L91-I207 HydrophobicContact CB-CG2 4.42Å; L91-I207 WeakPolarHBondContact O-CA 3.47Å; L182-I207 HydrophobicContact CD2-CD1 4.33Å; P186-I207 HydrophobicContact CB-CG2 4.07Å; P186-I207 HydrophobicContact CG-CG2 4.12Å; I207-V211 HydrophobicContact CD1-CB 4.27Å; I207-V211 HydrophobicContact CD1-CG1 4Å; I207-N212 HydrophobicContact CG1-CB 3.9Å; I207-N212 VanDerWaalsContact O-CB 3.29Å; I207-N212 WeakPolarHBondContact O-CB 3.36Å; I207-N212 PolarHBondContact O-ND2 2.9Å; I207-L623 WeakPolarHBondContact CG1-O 3.47Å; I207-L623 HydrophobicContact CG2-CB 4.29Å; I207-L623 PolarHBondContact N-O 2.89Å; I207-N624 HydrophobicContact CD1-CB 3.86Å
208T96.6Very high97.5Very high0 Ų014.6 Ų14.60%08%0.076CC..  trans-116.22.8-159.664.90000117.5Y53 H92 C93 T94 F206 Y215Y53-T208 HydrophobicContact CD2-CG2 3.69Å; Y53-T208 HydrophobicContact CE2-CG2 3.21Å; H92-T208 PolarHBondContact CD2-OG1 3Å; C93-T208 PolarHBondContact N-OG1 3.21Å; T94-T208 PolarHBondContact N-OG1 2.5Å; T94-T208 PolarHBondContact OG1-O 3.25Å; T94-T208 VanDerWaalsContact OG1-O 3.08Å; T94-T208 PolarHBondContact OG1-OG1 2.84Å; F206-T208 HydrophobicContact CD2-CG2 3.94Å; F206-T208 HydrophobicContact CE2-CG2 3.66Å; T208-Y215 HydrophobicContact CG2-CD1 4.25Å; T208-Y215 HydrophobicContact CG2-CE1 3.78Å; T208-Y215 HydrophobicContact CG2-CE2 4.28Å; T208-Y215 WeakPolarHBondContact O-CD1 3.33Å; T208-Y215 VanDerWaalsContact O-CE1 3.28Å; T208-Y215 WeakPolarHBondContact O-CE1 3.31Å
209T95Very high97.5Very high0 Ų014.4 Ų14.40%08%0.075CC..SBendtrans-88.3175177570000110.8C93 L182 V211 N212 L587C93-T209 VanDerWaalsContact C-CG2 3.5Å; C93-T209 HydrophobicContact CB-CG2 3.7Å; L182-T209 HydrophobicContact CD2-CG2 4.32Å; L182-T209 WeakPolarHBondContact CD2-OG1 3.38Å; T209-V211 PolarHBondContact O-N 3.14Å; T209-V211 VanDerWaalsContact O-N 3.09Å; T209-V211 WeakPolarHBondContact OG1-CB 3.35Å; T209-V211 WeakPolarHBondContact OG1-CG2 3.42Å; T209-N212 PolarHBondContact O-N 3.39Å; T209-L587 HydrophobicContact CG2-CB 3.72Å
210D94.6Very high97.5Very high71 Ų7116.7 Ų16.738%0.388%0.083SC..THydrogen-bonded Turntrans-54.4-20.9170.159.4-12.3000114.3N212 G588D210-N212 PolarHBondContact O-N 3.45Å; D210-G588 PolarHBondContact N-O 3.02Å
211V95.7Very high97.5Very high48 Ų4816.7 Ų16.729%0.2918%0.083SC..THydrogen-bonded Turntrans-54.5-31.6168-1780000112.5L182 I207 T209 P213 N624L182-V211 HydrophobicContact CD2-CB 4.28Å; L182-V211 HydrophobicContact CD2-CG2 3.86Å; I207-V211 HydrophobicContact CD1-CB 4.27Å; I207-V211 HydrophobicContact CD1-CG1 4Å; T209-V211 PolarHBondContact O-N 3.14Å; T209-V211 VanDerWaalsContact O-N 3.09Å; T209-V211 WeakPolarHBondContact OG1-CB 3.35Å; T209-V211 WeakPolarHBondContact OG1-CG2 3.42Å; V211-P213 WeakPolarHBondContact O-CD 3.44Å; V211-N624 HydrophobicContact CG1-CB 4.25Å; V211-N624 VanDerWaalsContact O-O 3.13Å
212N97.4Very high97.6Very high0 Ų016.7 Ų16.70%08%0.083CC..SBendtrans-96.8103.4170.3-178.4-10.5000110.9I207 T209 D210 F214 Y215 D216 Q619 N624I207-N212 HydrophobicContact CG1-CB 3.9Å; I207-N212 VanDerWaalsContact O-CB 3.29Å; I207-N212 WeakPolarHBondContact O-CB 3.36Å; I207-N212 PolarHBondContact O-ND2 2.9Å; T209-N212 PolarHBondContact O-N 3.39Å; D210-N212 PolarHBondContact O-N 3.45Å; N212-F214 PolarHBondContact O-N 3.32Å; N212-F214 PolarHBondContact OD1-N 3.42Å; N212-Y215 PolarHBondContact O-N 2.91Å; N212-Y215 PolarHBondContact OD1-N 2.94Å; N212-D216 WeakPolarHBondContact O-CB 3.37Å; N212-D216 PolarHBondContact O-N 3.24Å; N212-Q619 PolarHBondContact ND2-OE1 2.92Å; N212-N624 VanDerWaalsContact CA-O 3.3Å; N212-N624 WeakPolarHBondContact CA-O 3.19Å
213P97.3Very high97.6Very high38 Ų3815 Ų1525%0.2478%0.077CC..Hα-helixtrans-71-29.1-170.231.2-37.9000113.1V211 S217 N624 P635V211-P213 WeakPolarHBondContact O-CD 3.44Å; P213-S217 WeakPolarHBondContact O-CB 3.28Å; P213-S217 PolarHBondContact O-N 2.57Å; P213-N624 WeakPolarHBondContact CD-O 3.42Å; P213-P635 HydrophobicContact CB-CB 3.64Å; P213-P635 HydrophobicContact CB-CG 3.94Å; P213-P635 HydrophobicContact CG-CB 3.9Å; P213-P635 HydrophobicContact CG-CG 3.62Å
214F98.1Very high97.6Very high2 Ų214.9 Ų14.91%0.0098%0.08CC..Hα-helixtrans-71.7-41.2176.5-70.8-75000112N212 F218 Y611 L618 Q619 I633 P635 M638N212-F214 PolarHBondContact O-N 3.32Å; N212-F214 PolarHBondContact OD1-N 3.42Å; F214-F218 PolarHBondContact O-N 3.46Å; F214-Y611 HydrophobicContact CB-CE2 4.24Å; F214-Y611 WeakPolarHBondContact CB-OH 3.41Å; F214-L618 HydrophobicContact CD1-CB 4.02Å; F214-L618 HydrophobicContact CD1-CD1 4.39Å; F214-L618 HydrophobicContact CD1-CD2 4.36Å; F214-L618 HydrophobicContact CD1-CG 4.49Å; F214-L618 HydrophobicContact CE1-CB 4.22Å; F214-L618 HydrophobicContact CE1-CD2 4.26Å; F214-L618 HydrophobicContact CG-CB 4.25Å; F214-Q619 HydrophobicContact CD2-CB 4.24Å; F214-I633 WeakPolarHBondContact CZ-O 3.19Å; F214-P635 HydrophobicContact CD1-CB 4.27Å; F214-P635 HydrophobicContact CD1-CG 4.38Å; F214-P635 HydrophobicContact CD2-CG 4.14Å; F214-P635 HydrophobicContact CE1-CB 4.21Å; F214-P635 HydrophobicContact CE1-CG 4Å; F214-P635 HydrophobicContact CE2-CG 3.75Å; F214-P635 HydrophobicContact CG-CB 4.48Å; F214-P635 HydrophobicContact CG-CG 4.44Å; F214-P635 HydrophobicContact CZ-CB 4.38Å; F214-P635 HydrophobicContact CZ-CG 3.68Å; F214-M638 HydrophobicContact CD1-CG 4.2Å; F214-M638 HydrophobicContact CE1-CG 4.36Å
215Y98.2Very high97.5Very high0 Ų015 Ų150%08%0.081CC..Hα-helixtrans-69.4-40.6175.8-170.8-96.5000111.3F206 T208 N212 S217 F218 I219 D604 Y608 Y611F206-Y215 AromaticContact CD2-CD2 3.7Å; F206-Y215 HydrophobicContact CD2-CD2 3.7Å; F206-Y215 HydrophobicContact CD2-CE2 4.07Å; F206-Y215 HydrophobicContact CD2-CG 4.23Å; F206-Y215 AromaticContact CE2-CD2 3.34Å; F206-Y215 HydrophobicContact CE2-CD2 3.34Å; F206-Y215 AromaticContact CE2-CE2 3.25Å; F206-Y215 HydrophobicContact CE2-CE2 3.25Å; F206-Y215 HydrophobicContact CE2-CG 4.21Å; F206-Y215 HydrophobicContact CZ-CD2 4.03Å; F206-Y215 AromaticContact CZ-CE2 3.79Å; F206-Y215 HydrophobicContact CZ-CE2 3.79Å; T208-Y215 HydrophobicContact CG2-CD1 4.25Å; T208-Y215 HydrophobicContact CG2-CE1 3.78Å; T208-Y215 HydrophobicContact CG2-CE2 4.28Å; T208-Y215 WeakPolarHBondContact O-CD1 3.33Å; T208-Y215 VanDerWaalsContact O-CE1 3.28Å; T208-Y215 WeakPolarHBondContact O-CE1 3.31Å; N212-Y215 PolarHBondContact O-N 2.91Å; N212-Y215 PolarHBondContact OD1-N 2.94Å; Y215-S217 VanDerWaalsContact C-N 3.33Å; Y215-S217 PolarHBondContact O-N 3.29Å; Y215-F218 HydrophobicContact CD2-CD1 4.48Å; Y215-F218 HydrophobicContact CE2-CD1 4.29Å; Y215-F218 WeakPolarHBondContact O-CB 3.48Å; Y215-F218 PolarHBondContact O-N 2.89Å; Y215-F218 VanDerWaalsContact O-N 3.13Å; Y215-I219 HydrophobicContact CD1-CG1 3.8Å; Y215-I219 HydrophobicContact CE1-CD1 3.83Å; Y215-I219 HydrophobicContact CE1-CG1 3.39Å; Y215-I219 HydrophobicContact CE2-CD1 4.42Å; Y215-I219 WeakPolarHBondContact O-CG1 3.37Å; Y215-I219 PolarHBondContact O-N 2.63Å; Y215-D604 PolarHBondContact OH-O 3.36Å; Y215-D604 VanDerWaalsContact OH-O 3.06Å; Y215-Y608 WeakPolarHBondContact OH-CB 3.34Å; Y215-Y611 AromaticContact CD2-CD1 3.78Å; Y215-Y611 HydrophobicContact CD2-CD1 3.78Å; Y215-Y611 AromaticContact CD2-CE1 3.99Å; Y215-Y611 HydrophobicContact CD2-CE1 3.99Å; Y215-Y611 HydrophobicContact CD2-CG 4.14Å; Y215-Y611 HydrophobicContact CE2-CD1 4.37Å
216D98.1Very high97.5Very high16 Ų1615 Ų159%0.0868%0.08CC..Hα-helixtrans-56.4-47.9173.8-169.373.5000111.6N212 F218 I219 R220 T589N212-D216 WeakPolarHBondContact O-CB 3.37Å; N212-D216 PolarHBondContact O-N 3.24Å; D216-F218 VanDerWaalsContact C-N 3.34Å; D216-F218 PolarHBondContact O-N 2.76Å; D216-I219 PolarHBondContact O-N 2.96Å; D216-R220 WeakPolarHBondContact O-CG 3.49Å; D216-R220 PolarHBondContact O-N 3.37Å; D216-R220 IonicContact OD2-CZ 3.43Å; D216-R220 IonicContact OD2-NE 3.75Å; D216-R220 PolarHBondContact OD2-NE 3.47Å; D216-R220 IonicContact OD2-NH2 3.8Å; D216-R220 PolarHBondContact OD2-NH2 2.64Å; D216-T589 WeakPolarHBondContact OD1-CA 3.26Å; D216-T589 WeakPolarHBondContact OD1-CB 3.44Å; D216-T589 WeakPolarHBondContact OD1-CG2 3.42Å; D216-T589 PolarHBondContact OD1-OG1 3.2Å
217S98.1Very high97.4Very high19 Ų1918.7 Ų18.713%0.13310%0.096CC..Hα-helixtrans-57.6-43.7174.3169.10000112.5P213 Y215 R220 W221 M638 W643P213-S217 WeakPolarHBondContact O-CB 3.28Å; P213-S217 PolarHBondContact O-N 2.57Å; Y215-S217 VanDerWaalsContact C-N 3.33Å; Y215-S217 PolarHBondContact O-N 3.29Å; S217-R220 PolarHBondContact O-N 3.13Å; S217-W221 PolarHBondContact O-N 3Å; S217-M638 WeakPolarHBondContact OG-CB 3.2Å; S217-M638 PolarHBondContact OG-O 3.44Å; S217-W643 PolarHBondContact OG-NE1 2.77Å
218F98.6Very high97.4Very high0 Ų022.6 Ų22.60%012%0.117CC..Hα-helixtrans-61.1-44.3175.9172.5-97.9000112.3F214 Y215 D216 W221 H222 I607 A610 Y611 W643 F647F214-F218 PolarHBondContact O-N 3.46Å; Y215-F218 HydrophobicContact CD2-CD1 4.48Å; Y215-F218 HydrophobicContact CE2-CD1 4.29Å; Y215-F218 WeakPolarHBondContact O-CB 3.48Å; Y215-F218 PolarHBondContact O-N 2.89Å; Y215-F218 VanDerWaalsContact O-N 3.13Å; D216-F218 VanDerWaalsContact C-N 3.34Å; D216-F218 PolarHBondContact O-N 2.76Å; F218-W221 AromaticContact CD2-CE3 3.93Å; F218-W221 HydrophobicContact CD2-CE3 3.93Å; F218-W221 HydrophobicContact CD2-CZ3 4.06Å; F218-W221 AromaticContact CE2-CE3 3.86Å; F218-W221 HydrophobicContact CE2-CE3 3.86Å; F218-W221 AromaticContact CE2-CZ3 3.51Å; F218-W221 HydrophobicContact CE2-CZ3 3.51Å; F218-W221 HydrophobicContact CZ-CZ3 4.09Å; F218-W221 WeakPolarHBondContact O-CB 3.36Å; F218-W221 PolarHBondContact O-N 3.39Å; F218-H222 PolarHBondContact O-N 2.95Å; F218-I607 HydrophobicContact CE1-CD1 4.4Å; F218-I607 HydrophobicContact CE1-CG1 4.1Å; F218-I607 HydrophobicContact CZ-CD1 3.85Å; F218-I607 HydrophobicContact CZ-CG1 3.84Å; F218-A610 HydrophobicContact CE2-CB 4.38Å; F218-A610 HydrophobicContact CZ-CB 4.31Å; F218-Y611 HydrophobicContact CB-CD2 3.85Å; F218-Y611 HydrophobicContact CB-CE2 4.31Å; F218-Y611 HydrophobicContact CD1-CD2 4.43Å; F218-Y611 HydrophobicContact CD1-CG 4.44Å; F218-Y611 HydrophobicContact CD2-CD2 4.08Å; F218-Y611 AromaticContact CG-CD2 3.86Å; F218-Y611 HydrophobicContact CG-CD2 3.86Å; F218-Y611 HydrophobicContact CG-CG 4.3Å; F218-W643 HydrophobicContact CB-CH2 4.22Å; F218-W643 HydrophobicContact CB-CZ2 3.84Å; F218-W643 HydrophobicContact CD2-CE3 4.45Å; F218-W643 HydrophobicContact CD2-CH2 4.35Å; F218-W643 HydrophobicContact CD2-CZ3 4.32Å; F218-F647 AromaticContact CD2-CE2 3.74Å; F218-F647 HydrophobicContact CD2-CE2 3.74Å; F218-F647 HydrophobicContact CD2-CZ 4.25Å; F218-F647 HydrophobicContact CE2-CD2 4.32Å; F218-F647 AromaticContact CE2-CE2 3.51Å; F218-F647 HydrophobicContact CE2-CE2 3.51Å; F218-F647 AromaticContact CE2-CZ 3.9Å; F218-F647 HydrophobicContact CE2-CZ 3.9Å
219I98.3Very high97.3Very high0 Ų026.6 Ų26.60%013%0.132CC..Hα-helixtrans-68.5-38.7178.3-64.6-55.8000111.6Y215 D216 W221 H222 F223 T589 I599 D604Y215-I219 HydrophobicContact CD1-CG1 3.8Å; Y215-I219 HydrophobicContact CE1-CD1 3.83Å; Y215-I219 HydrophobicContact CE1-CG1 3.39Å; Y215-I219 HydrophobicContact CE2-CD1 4.42Å; Y215-I219 WeakPolarHBondContact O-CG1 3.37Å; Y215-I219 PolarHBondContact O-N 2.63Å; D216-I219 PolarHBondContact O-N 2.96Å; I219-W221 VanDerWaalsContact C-N 3.33Å; I219-W221 PolarHBondContact O-N 3.43Å; I219-H222 WeakPolarHBondContact O-CB 3.3Å; I219-H222 PolarHBondContact O-N 3.44Å; I219-F223 HydrophobicContact CG2-CD2 3.99Å; I219-F223 HydrophobicContact CG2-CE2 4.21Å; I219-F223 WeakPolarHBondContact O-CD2 3.34Å; I219-F223 PolarHBondContact O-N 2.99Å; I219-T589 HydrophobicContact CB-CG2 4.04Å; I219-T589 HydrophobicContact CG2-CG2 3.74Å; I219-I599 HydrophobicContact CG2-CD1 3.47Å; I219-I599 VanDerWaalsContact CG2-CD1 3.47Å; I219-D604 HydrophobicContact CD1-CB 3.95Å; I219-D604 VanDerWaalsContact CD1-O 3.25Å; I219-D604 WeakPolarHBondContact CD1-O 3.4Å; I219-D604 HydrophobicContact CG1-CB 4.24Å; I219-D604 HydrophobicContact CG2-CB 4.06Å
220R98.1Very high97.4Very high64 Ų6434.6 Ų34.624%0.24217%0.167CC..Hα-helixtrans-58.5-45.1172.7-72.1178.9-176.1-109.11.2111.2D216 S217 F223 L224 T589 P592 E595D216-R220 WeakPolarHBondContact O-CG 3.49Å; D216-R220 PolarHBondContact O-N 3.37Å; D216-R220 IonicContact OD2-CZ 3.43Å; D216-R220 IonicContact OD2-NE 3.75Å; D216-R220 PolarHBondContact OD2-NE 3.47Å; D216-R220 IonicContact OD2-NH2 3.8Å; D216-R220 PolarHBondContact OD2-NH2 2.64Å; S217-R220 PolarHBondContact O-N 3.13Å; R220-F223 PolarHBondContact O-N 3.29Å; R220-L224 WeakPolarHBondContact O-CB 3.35Å; R220-L224 WeakPolarHBondContact O-CD1 3.3Å; R220-L224 WeakPolarHBondContact O-CG 3.42Å; R220-L224 PolarHBondContact O-N 3.38Å; R220-T589 HydrophobicContact CG-CG2 4.02Å; R220-P592 HydrophobicContact CB-CB 4.28Å; R220-P592 HydrophobicContact CB-CG 4.21Å; R220-P592 HydrophobicContact CG-CB 4.09Å; R220-P592 HydrophobicContact CG-CG 4.28Å; R220-E595 IonicContact NH1-OE1 2.92Å; R220-E595 PolarHBondContact NH1-OE1 3.46Å
221W98.3Very high97.5Very high2 Ų232.4 Ų32.41%0.00815%0.154CC..Hα-helixtrans-59.5-46.4174.9161.578.2000112.6S217 F218 I219 F223 L224 T225 I607 W643 D644 F647 F648 M700S217-W221 PolarHBondContact O-N 3Å; F218-W221 AromaticContact CD2-CE3 3.93Å; F218-W221 HydrophobicContact CD2-CE3 3.93Å; F218-W221 HydrophobicContact CD2-CZ3 4.06Å; F218-W221 AromaticContact CE2-CE3 3.86Å; F218-W221 HydrophobicContact CE2-CE3 3.86Å; F218-W221 AromaticContact CE2-CZ3 3.51Å; F218-W221 HydrophobicContact CE2-CZ3 3.51Å; F218-W221 HydrophobicContact CZ-CZ3 4.09Å; F218-W221 WeakPolarHBondContact O-CB 3.36Å; F218-W221 PolarHBondContact O-N 3.39Å; I219-W221 VanDerWaalsContact C-N 3.33Å; I219-W221 PolarHBondContact O-N 3.43Å; W221-F223 PolarHBondContact O-N 2.99Å; W221-L224 PolarHBondContact O-N 3.46Å; W221-T225 WeakPolarHBondContact O-CB 3.23Å; W221-T225 PolarHBondContact O-N 2.84Å; W221-T225 PolarHBondContact O-OG1 2.98Å; W221-I607 HydrophobicContact CH2-CD1 4.44Å; W221-I607 HydrophobicContact CZ3-CD1 3.79Å; W221-W643 HydrophobicContact CB-CB 4.03Å; W221-W643 HydrophobicContact CB-CG 3.94Å; W221-W643 HydrophobicContact CD2-CB 3.66Å; W221-W643 HydrophobicContact CD2-CG 4.22Å; W221-W643 HydrophobicContact CE3-CB 4.45Å; W221-W643 HydrophobicContact CG-CB 3.4Å; W221-W643 VanDerWaalsContact CG-CB 3.4Å; W221-W643 AromaticContact CG-CD1 3.95Å; W221-W643 AromaticContact CG-CG 3.84Å; W221-W643 HydrophobicContact CG-CG 3.84Å; W221-D644 PolarHBondContact NE1-OD1 3.25Å; W221-F647 HydrophobicContact CE3-CD2 4.34Å; W221-F647 HydrophobicContact CH2-CB 3.91Å; W221-F647 AromaticContact CH2-CD2 3.42Å; W221-F647 HydrophobicContact CH2-CD2 3.42Å; W221-F647 VanDerWaalsContact CH2-CD2 3.42Å; W221-F647 HydrophobicContact CH2-CE2 4.26Å; W221-F647 AromaticContact CH2-CG 3.97Å; W221-F647 HydrophobicContact CH2-CG 3.97Å; W221-F647 HydrophobicContact CZ2-CB 4.04Å; W221-F647 AromaticContact CZ2-CD2 3.85Å; W221-F647 HydrophobicContact CZ2-CD2 3.85Å; W221-F647 HydrophobicContact CZ2-CG 4.4Å; W221-F647 AromaticContact CZ3-CD2 3.71Å; W221-F647 HydrophobicContact CZ3-CD2 3.71Å; W221-F647 HydrophobicContact CZ3-CE2 4.1Å; W221-F648 HydrophobicContact CH2-CZ 4.42Å; W221-F648 HydrophobicContact CZ2-CE1 4.22Å; W221-F648 AromaticContact CZ2-CE2 3.99Å; W221-F648 HydrophobicContact CZ2-CE2 3.99Å; W221-F648 AromaticContact CZ2-CZ 3.67Å; W221-F648 HydrophobicContact CZ2-CZ 3.67Å; W221-M700 HydrophobicContact CD2-CE 4.41Å; W221-M700 HydrophobicContact CE3-CE 4.19Å; W221-M700 HydrophobicContact CH2-CE 3.21Å; W221-M700 HydrophobicContact CZ2-CE 3.45Å; W221-M700 VanDerWaalsContact CZ2-CE 3.45Å; W221-M700 HydrophobicContact CZ3-CE 3.61Å
222H98.3Very high97.5Very high0 Ų030.6 Ų30.60%014%0.143CC..Hα-helixtrans-56.7-50.3178.1173-148.6000111.2F218 I219 T225 L226 T606 I607 N696F218-H222 PolarHBondContact O-N 2.95Å; I219-H222 WeakPolarHBondContact O-CB 3.3Å; I219-H222 PolarHBondContact O-N 3.44Å; H222-T225 PolarHBondContact O-N 3.29Å; H222-L226 WeakPolarHBondContact NE2-CD1 3.48Å; H222-L226 WeakPolarHBondContact O-CG 3.5Å; H222-L226 PolarHBondContact O-N 2.9Å; H222-T606 PolarHBondContact CE1-OG1 2.87Å; H222-I607 HydrophobicContact CB-CD1 3.84Å; H222-I607 VanDerWaalsContact CD2-CD1 3.44Å; H222-I607 WeakPolarHBondContact CD2-CD1 3.27Å; H222-I607 VanDerWaalsContact CG-CD1 3.44Å; H222-N696 PolarHBondContact NE2-OD1 2.82Å; H222-N696 VanDerWaalsContact NE2-OD1 3.15Å
223F98Very high97.3Very high0 Ų034.8 Ų34.80%016%0.161CC..Hα-helixtrans-70.4-37-178-88.4-108.8000113.2I219 R220 W221 T225 L226 K227 I232 L591 W593 I599I219-F223 HydrophobicContact CG2-CD2 3.99Å; I219-F223 HydrophobicContact CG2-CE2 4.21Å; I219-F223 WeakPolarHBondContact O-CD2 3.34Å; I219-F223 PolarHBondContact O-N 2.99Å; R220-F223 PolarHBondContact O-N 3.29Å; W221-F223 PolarHBondContact O-N 2.99Å; F223-T225 VanDerWaalsContact C-N 3.3Å; F223-T225 PolarHBondContact O-N 2.84Å; F223-L226 PolarHBondContact O-N 3.34Å; F223-K227 WeakPolarHBondContact O-CB 3.24Å; F223-K227 PolarHBondContact O-N 3.1Å; F223-I232 HydrophobicContact CB-CD1 4.32Å; F223-I232 HydrophobicContact CD1-CD1 3.53Å; F223-I232 HydrophobicContact CE1-CD1 4.13Å; F223-I232 HydrophobicContact CG-CD1 4.19Å; F223-I232 WeakPolarHBondContact O-CD1 3.4Å; F223-L591 HydrophobicContact CD1-CD2 3.51Å; F223-L591 HydrophobicContact CE1-CD2 4.06Å; F223-L591 HydrophobicContact CG-CD2 4.33Å; F223-W593 HydrophobicContact CB-CH2 3.91Å; F223-W593 HydrophobicContact CB-CZ3 4.16Å; F223-W593 HydrophobicContact CD1-CH2 4.44Å; F223-W593 WeakPolarHBondContact O-CH2 3.46Å; F223-W593 WeakPolarHBondContact O-CZ3 3.3Å; F223-I599 HydrophobicContact CB-CD1 4.4Å; F223-I599 HydrophobicContact CD1-CD1 3.81Å; F223-I599 HydrophobicContact CD1-CG1 4.07Å; F223-I599 HydrophobicContact CD2-CD1 3.65Å; F223-I599 HydrophobicContact CE1-CB 4.49Å; F223-I599 HydrophobicContact CE1-CD1 3.95Å; F223-I599 HydrophobicContact CE1-CG1 3.85Å; F223-I599 HydrophobicContact CE1-CG2 3.84Å; F223-I599 HydrophobicContact CE2-CD1 3.8Å; F223-I599 HydrophobicContact CE2-CG1 4.37Å; F223-I599 HydrophobicContact CE2-CG2 3.72Å; F223-I599 HydrophobicContact CG-CD1 3.66Å; F223-I599 HydrophobicContact CG-CG1 4.43Å; F223-I599 HydrophobicContact CZ-CB 4.26Å; F223-I599 HydrophobicContact CZ-CD1 3.94Å; F223-I599 HydrophobicContact CZ-CG1 4.02Å; F223-I599 HydrophobicContact CZ-CG2 3.24Å
224L98Very high97Very high48 Ų4837.6 Ų37.625%0.25117%0.17SC..Hα-helixtrans-59.6-43.8172-74.6166.4000111R220 W221 K227 D228 P592 W593R220-L224 WeakPolarHBondContact O-CB 3.35Å; R220-L224 WeakPolarHBondContact O-CD1 3.3Å; R220-L224 WeakPolarHBondContact O-CG 3.42Å; R220-L224 PolarHBondContact O-N 3.38Å; W221-L224 PolarHBondContact O-N 3.46Å; L224-K227 PolarHBondContact O-N 3.26Å; L224-D228 PolarHBondContact O-N 3.38Å; L224-P592 HydrophobicContact CD1-CG 4.25Å; L224-P592 HydrophobicContact CD2-CB 4.45Å; L224-P592 HydrophobicContact CD2-CG 3.95Å; L224-P592 HydrophobicContact CG-CB 4.43Å; L224-P592 HydrophobicContact CG-CG 3.74Å; L224-W593 HydrophobicContact CD2-CE3 3.72Å; L224-W593 HydrophobicContact CD2-CZ3 3.92Å; L224-W593 HydrophobicContact CG-CE3 4.46Å; L224-W593 HydrophobicContact CG-CZ3 4.24Å
225T97.7Very high96.4Very high3 Ų338.4 Ų38.42%0.01818%0.178CC..Hα-helixtrans-64.4-43178.4-57.20000111.9W221 H222 F223 D228 R229 F648 M700W221-T225 WeakPolarHBondContact O-CB 3.23Å; W221-T225 PolarHBondContact O-N 2.84Å; W221-T225 PolarHBondContact O-OG1 2.98Å; H222-T225 PolarHBondContact O-N 3.29Å; F223-T225 VanDerWaalsContact C-N 3.3Å; F223-T225 PolarHBondContact O-N 2.84Å; T225-D228 PolarHBondContact O-N 2.71Å; T225-R229 WeakPolarHBondContact O-CB 3.45Å; T225-R229 WeakPolarHBondContact O-CG 3.03Å; T225-R229 PolarHBondContact O-N 2.9Å; T225-R229 VanDerWaalsContact O-N 3.08Å; T225-F648 HydrophobicContact CG2-CE2 4.4Å; T225-F648 HydrophobicContact CG2-CZ 4.2Å; T225-M700 HydrophobicContact CG2-CE 3.9Å; T225-M700 HydrophobicContact CG2-SD 3.72Å
226L97.5Very high95.6Very high0 Ų044.9 Ų44.90%021%0.207CC..Hα-helixtrans-62.9-41.1175.7-72.4177.8000112.4H222 F223 R229 K230 K231 I232 L540 N696 A699 M700H222-L226 WeakPolarHBondContact NE2-CD1 3.48Å; H222-L226 WeakPolarHBondContact O-CG 3.5Å; H222-L226 PolarHBondContact O-N 2.9Å; F223-L226 PolarHBondContact O-N 3.34Å; L226-R229 CarbonylContact O-C 3.57Å; L226-R229 PolarHBondContact O-N 3.4Å; L226-K230 PolarHBondContact O-N 3.21Å; L226-K231 HydrophobicContact CB-CB 4.33Å; L226-K231 HydrophobicContact CD2-CB 4.08Å; L226-K231 HydrophobicContact CD2-CG 4.42Å; L226-K231 WeakPolarHBondContact O-CB 3.44Å; L226-K231 PolarHBondContact O-N 3.26Å; L226-I232 HydrophobicContact CB-CD1 3.61Å; L226-I232 HydrophobicContact CB-CG1 3.91Å; L226-I232 HydrophobicContact CD1-CD1 4.21Å; L226-L540 HydrophobicContact CD1-CD2 3.81Å; L226-N696 WeakPolarHBondContact CD1-OD1 3.43Å; L226-A699 HydrophobicContact CD2-CB 3.85Å; L226-M700 HydrophobicContact CD2-SD 4.46Å
227K96.4Very high94.7Very high78 Ų7846.9 Ų46.934%0.33921%0.213SC..Hα-helixtrans-63.4-45.7177.2178.6167.4176.7-72.50111.7F223 L224 R229 K230 I232 W593F223-K227 WeakPolarHBondContact O-CB 3.24Å; F223-K227 PolarHBondContact O-N 3.1Å; L224-K227 PolarHBondContact O-N 3.26Å; K227-R229 PolarHBondContact O-N 3.24Å; K227-K230 WeakPolarHBondContact O-CA 3.38Å; K227-K230 PolarHBondContact O-N 2.74Å; K227-I232 HydrophobicContact CB-CB 4.49Å; K227-I232 HydrophobicContact CB-CD1 4.45Å; K227-W593 HydrophobicContact CB-CH2 3.73Å; K227-W593 HydrophobicContact CB-CZ2 4.22Å; K227-W593 HydrophobicContact CB-CZ3 3.95Å; K227-W593 HydrophobicContact CD-CD2 3.41Å; K227-W593 VanDerWaalsContact CD-CD2 3.41Å; K227-W593 HydrophobicContact CD-CE3 3.57Å; K227-W593 HydrophobicContact CD-CG 4.07Å; K227-W593 HydrophobicContact CD-CH2 3.72Å; K227-W593 HydrophobicContact CD-CZ2 3.57Å; K227-W593 HydrophobicContact CD-CZ3 3.72Å; K227-W593 HydrophobicContact CG-CH2 4.35Å; K227-W593 HydrophobicContact CG-CZ2 4.43Å
228D96.4Very high94.1Very high86 Ų8649.4 Ų49.446%0.4622%0.22SC..Hα-helixtrans-63.4-33.2178.2-79.911.6000112.6L224 T225 K230 R640L224-D228 PolarHBondContact O-N 3.38Å; T225-D228 PolarHBondContact O-N 2.71Å; D228-K230 PolarHBondContact O-N 2.86Å; D228-R640 IonicContact OD2-CZ 3.13Å; D228-R640 IonicContact OD2-NH1 2.64Å; D228-R640 PolarHBondContact OD2-NH1 2.95Å; D228-R640 IonicContact OD2-NH2 3.4Å; D228-R640 PolarHBondContact OD2-NH2 3.37Å
229R96.4Very high93.3Very high83 Ų8349.8 Ų49.831%0.31322%0.222SC..THydrogen-bonded Turntrans-83.512.4173.6-63.3-179.9-169.4-169.17.3113.3T225 L226 K227 K231 A699 M700T225-R229 WeakPolarHBondContact O-CB 3.45Å; T225-R229 WeakPolarHBondContact O-CG 3.03Å; T225-R229 PolarHBondContact O-N 2.9Å; T225-R229 VanDerWaalsContact O-N 3.08Å; L226-R229 CarbonylContact O-C 3.57Å; L226-R229 PolarHBondContact O-N 3.4Å; K227-R229 PolarHBondContact O-N 3.24Å; R229-K231 HydrophobicContact CB-CG 4.26Å; R229-K231 PolarHBondContact O-N 3.05Å; R229-K231 VanDerWaalsContact O-N 3.16Å; R229-A699 WeakPolarHBondContact CD-O 3.47Å; R229-A699 PolarHBondContact NH1-O 2.98Å; R229-M700 PolarHBondContact NH1-O 2.89Å
230K96.5Very high92.7Very high168 Ų16849.9 Ų49.973%0.7322%0.223SC*.THydrogen-bonded Turntrans56.526.8177.9-55.8179.4-179.9177.40114.2L226 K227 D228L226-K230 PolarHBondContact O-N 3.21Å; K227-K230 WeakPolarHBondContact O-CA 3.38Å; K227-K230 PolarHBondContact O-N 2.74Å; D228-K230 PolarHBondContact O-N 2.86Å
231K96.8Very high92.2Very high26 Ų2648.3 Ų48.311%0.11322%0.217CC..  trans-87.4-17.5177.7-62.1-39.8-167.8-172.10113L226 R229 L540 D541 D544 W547 A699L226-K231 HydrophobicContact CB-CB 4.33Å; L226-K231 HydrophobicContact CD2-CB 4.08Å; L226-K231 HydrophobicContact CD2-CG 4.42Å; L226-K231 WeakPolarHBondContact O-CB 3.44Å; L226-K231 PolarHBondContact O-N 3.26Å; R229-K231 HydrophobicContact CB-CG 4.26Å; R229-K231 PolarHBondContact O-N 3.05Å; R229-K231 VanDerWaalsContact O-N 3.16Å; K231-L540 WeakPolarHBondContact O-CA 3.45Å; K231-D541 PolarHBondContact O-N 3.19Å; K231-D544 IonicContact NZ-OD1 2.65Å; K231-D544 PolarHBondContact NZ-OD1 3.15Å; K231-W547 HydrophobicContact CB-CE3 4.15Å; K231-W547 HydrophobicContact CB-CH2 3.72Å; K231-W547 HydrophobicContact CB-CZ2 4.42Å; K231-W547 HydrophobicContact CB-CZ3 3.56Å; K231-W547 HydrophobicContact CD-CD2 3.83Å; K231-W547 HydrophobicContact CD-CE3 3.55Å; K231-W547 HydrophobicContact CD-CG 4.37Å; K231-W547 HydrophobicContact CD-CH2 4.49Å; K231-W547 HydrophobicContact CD-CZ3 3.91Å; K231-W547 HydrophobicContact CG-CD2 4.29Å; K231-W547 HydrophobicContact CG-CE3 4.03Å; K231-W547 HydrophobicContact CG-CH2 4.06Å; K231-W547 HydrophobicContact CG-CZ2 4.32Å; K231-W547 HydrophobicContact CG-CZ3 3.91Å; K231-A699 HydrophobicContact CG-CB 4.41Å
232I95.4Very high91.5Very high10 Ų1048.2 Ų48.25%0.05122%0.217CC..EExtended strand (participates in β ladder)trans-105.4131.7170.7-65166.8000108.9F223 L226 K227 W538 Y539 L540 W593F223-I232 HydrophobicContact CB-CD1 4.32Å; F223-I232 HydrophobicContact CD1-CD1 3.53Å; F223-I232 HydrophobicContact CE1-CD1 4.13Å; F223-I232 HydrophobicContact CG-CD1 4.19Å; F223-I232 WeakPolarHBondContact O-CD1 3.4Å; L226-I232 HydrophobicContact CB-CD1 3.61Å; L226-I232 HydrophobicContact CB-CG1 3.91Å; L226-I232 HydrophobicContact CD1-CD1 4.21Å; K227-I232 HydrophobicContact CB-CB 4.49Å; K227-I232 HydrophobicContact CB-CD1 4.45Å; I232-W538 HydrophobicContact CG2-CE3 3.56Å; I232-W538 HydrophobicContact CG2-CZ3 4.11Å; I232-Y539 WeakPolarHBondContact CA-O 3.37Å; I232-L540 HydrophobicContact CD1-CD2 4.38Å; I232-L540 HydrophobicContact CG1-CD2 3.58Å; I232-W593 HydrophobicContact CD1-CH2 3.79Å; I232-W593 HydrophobicContact CD1-CZ2 4.17Å; I232-W593 HydrophobicContact CG2-CZ2 4.17Å
233K92.8Very high90.9Very high87 Ų8749.6 Ų49.638%0.37823%0.226SC..EExtended strand (participates in β ladder)trans-127.6159.7176.5-69.7179.9178.1173.10110.2W538 Y539 D541K233-W538 WeakPolarHBondContact O-CA 3.11Å; K233-Y539 HydrophobicContact CB-CD2 4.22Å; K233-Y539 HydrophobicContact CB-CE1 3.95Å; K233-Y539 HydrophobicContact CB-CE2 3.57Å; K233-Y539 WeakPolarHBondContact CB-OH 3.35Å; K233-Y539 HydrophobicContact CD-CE2 4.13Å; K233-Y539 HydrophobicContact CG-CE2 4.36Å; K233-Y539 PolarHBondContact N-O 3.44Å; K233-Y539 PolarHBondContact O-N 3.31Å; K233-D541 HydrophobicContact CD-CB 4.15Å; K233-D541 WeakPolarHBondContact CE-OD2 3.33Å; K233-D541 IonicContact NZ-OD2 2.87Å; K233-D541 PolarHBondContact NZ-OD2 2.81Å
234F90.3Very high90Very high98 Ų9856.1 Ų56.143%0.4325%0.254SS..EExtended strand (participates in β ladder)trans-116.1135.8173.8-175.3-106.5000108.9D536 W538F234-D536 HydrophobicContact CE1-CB 4.19Å; F234-D536 HydrophobicContact CE2-CB 4.05Å; F234-D536 HydrophobicContact CZ-CB 3.53Å; F234-W538 HydrophobicContact CB-CD2 4.06Å; F234-W538 HydrophobicContact CB-CE3 3.77Å; F234-W538 HydrophobicContact CB-CH2 3.98Å; F234-W538 HydrophobicContact CB-CZ2 4.23Å; F234-W538 HydrophobicContact CB-CZ3 3.75Å; F234-W538 AromaticContact CD2-CD1 3.84Å; F234-W538 AromaticContact CD2-CD2 3.69Å; F234-W538 HydrophobicContact CD2-CD2 3.69Å; F234-W538 AromaticContact CD2-CE2 3.57Å; F234-W538 HydrophobicContact CD2-CE3 4.29Å; F234-W538 AromaticContact CD2-CG 3.88Å; F234-W538 HydrophobicContact CD2-CG 3.88Å; F234-W538 HydrophobicContact CD2-CZ2 4.08Å; F234-W538 AromaticContact CD2-NE1 3.64Å; F234-W538 AromaticContact CE2-NE1 3.88Å; F234-W538 HydrophobicContact CG-CD2 4.33Å; F234-W538 HydrophobicContact CG-CZ2 4.34Å
235G86.2Confident88.8Confident19 Ų1956.7 Ų56.720%0.19626%0.257CS..EExtended strand (participates in β ladder)trans-178.2165.6175.800000112.6Q537G235-Q537 PolarHBondContact N-O 2.92Å; G235-Q537 VanDerWaalsContact N-O 3.16Å; G235-Q537 PolarHBondContact O-N 2.69Å
236K81.9Confident87.8Confident136 Ų13658.6 Ų58.659%0.59128%0.277SS*.EExtended strand (participates in β ladder)trans-73127.3176.8-71.7-170.9177.4-1740110.9L534 C535 D536K236-L534 HydrophobicContact CB-CD1 3.8Å; K236-L534 HydrophobicContact CB-CG 3.95Å; K236-L534 HydrophobicContact CD-CG 4.43Å; K236-C535 WeakPolarHBondContact CA-O 3.49Å; K236-D536 WeakPolarHBondContact CE-OD1 3.41Å; K236-D536 WeakPolarHBondContact CG-OD1 3.46Å
237R79.2Confident86.6Confident57 Ų5759.6 Ų59.622%0.21528%0.282CS..EExtended strand (participates in β ladder)trans-134.1149.8177.8-66.3-158.3171.3-107.3-13.5112.5A533 L534 C535 Y539 E578R237-A533 VanDerWaalsContact O-O 3.14Å; R237-L534 WeakPolarHBondContact O-CA 3.49Å; R237-C535 PolarHBondContact N-O 3.46Å; R237-C535 PolarHBondContact O-N 2.97Å; R237-Y539 HydrophobicContact CG-CD1 4.49Å; R237-Y539 VanDerWaalsContact NE-CD1 3.3Å; R237-Y539 VanDerWaalsContact NH2-CE2 3.3Å; R237-Y539 VanDerWaalsContact NH2-CZ 3.26Å; R237-E578 IonicContact CZ-OE1 3.83Å; R237-E578 IonicContact CZ-OE2 3.95Å; R237-E578 IonicContact NH1-OE1 3.05Å; R237-E578 PolarHBondContact NH1-OE1 3.23Å; R237-E578 IonicContact NH1-OE2 3.69Å; R237-E578 PolarHBondContact NH1-OE2 2.97Å; R237-E578 IonicContact NH2-OE1 2.82Å; R237-E578 PolarHBondContact NH2-OE1 2.81Å; R237-E578 IonicContact NH2-OE2 2.72Å
238Y85.8Confident85.8Confident73 Ų7356.2 Ų56.229%0.28627%0.268SS..EExtended strand (participates in β ladder)trans-76.1123.7171.5-66.7-69.6000109.9Q345 M516 V532 A533 L534Y238-Q345 HydrophobicContact CD1-CG 4.34Å; Y238-Q345 HydrophobicContact CE1-CB 4.24Å; Y238-Q345 HydrophobicContact CE1-CG 3.93Å; Y238-M516 HydrophobicContact CD1-CB 3.97Å; Y238-M516 HydrophobicContact CD1-CG 3.57Å; Y238-M516 HydrophobicContact CD2-CE 3.62Å; Y238-M516 HydrophobicContact CD2-CG 3.85Å; Y238-M516 HydrophobicContact CD2-SD 4.4Å; Y238-M516 HydrophobicContact CE1-CB 4.22Å; Y238-M516 HydrophobicContact CE1-CG 3.68Å; Y238-M516 HydrophobicContact CE2-CE 3.79Å; Y238-M516 HydrophobicContact CE2-CG 3.97Å; Y238-M516 HydrophobicContact CG-CB 4.35Å; Y238-M516 HydrophobicContact CG-CE 4.24Å; Y238-M516 HydrophobicContact CG-CG 3.62Å; Y238-M516 HydrophobicContact CG-SD 4.46Å; Y238-V532 HydrophobicContact CD1-CG1 3.86Å; Y238-V532 HydrophobicContact CG-CG1 4.26Å; Y238-A533 VanDerWaalsContact CA-O 3.3Å; Y238-A533 WeakPolarHBondContact CA-O 3.44Å; Y238-L534 HydrophobicContact CD1-CB 4.01Å; Y238-L534 HydrophobicContact CD1-CD1 4.07Å; Y238-L534 HydrophobicContact CD2-CD1 4.25Å; Y238-L534 HydrophobicContact CE1-CB 3.87Å; Y238-L534 HydrophobicContact CE1-CD1 4.05Å; Y238-L534 HydrophobicContact CE1-CD2 4.37Å; Y238-L534 HydrophobicContact CE1-CG 4.31Å; Y238-L534 HydrophobicContact CE2-CD1 4.21Å; Y238-L534 HydrophobicContact CG-CD1 4.2Å
239T81.9Confident84.7Confident8 Ų852.2 Ų52.25%0.04925%0.247CC..EExtended strand (participates in β ladder)trans-140.4151.5173.7-179.40000109.8Y241 P248 M250 V532 A533 C535T239-Y241 PolarHBondContact O-N 2.97Å; T239-P248 HydrophobicContact CG2-CB 3.73Å; T239-P248 HydrophobicContact CG2-CG 3.8Å; T239-M250 WeakPolarHBondContact OG1-CE 3.15Å; T239-V532 CarbonylContact O-C 3.59Å; T239-V532 WeakPolarHBondContact O-CA 3.36Å; T239-A533 PolarHBondContact N-O 3.11Å; T239-A533 PolarHBondContact O-N 2.78Å; T239-C535 WeakPolarHBondContact CG2-SG 3.31Å
240I85.6Confident83.4Confident2 Ų250.1 Ų50.11%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-58.3133.5162.8-55.7-49.9000107.5P248 C249 R254 P518 V522 C530 V531 V532I240-P248 CarbonylContact O-C 3.59Å; I240-P248 VanDerWaalsContact O-CA 3.28Å; I240-P248 WeakPolarHBondContact O-CA 3.34Å; I240-C249 WeakPolarHBondContact CB-O 3.37Å; I240-C249 HydrophobicContact CG2-CB 4.26Å; I240-C249 WeakPolarHBondContact CG2-O 3.48Å; I240-C249 PolarHBondContact O-N 2.91Å; I240-R254 VanDerWaalsContact CB-NH2 3.28Å; I240-P518 HydrophobicContact CD1-CB 3.93Å; I240-P518 HydrophobicContact CD1-CG 4.01Å; I240-V522 HydrophobicContact CG2-CB 4.35Å; I240-V522 HydrophobicContact CG2-CG1 3.98Å; I240-C530 HydrophobicContact CG2-CB 3.69Å; I240-V531 CarbonylContact C-O 3.56Å; I240-V531 WeakPolarHBondContact CA-O 3.47Å; I240-V532 HydrophobicContact CD1-CG2 3.8Å
241Y86.3Confident81.6Confident31 Ų3145.2 Ų45.212%0.12222%0.223CC..EExtended strand (participates in β ladder)trans-141139.8-169.8-172.6-88000109.1T239 P243 G246 Q247 P248 F344 C530 V531 A533T239-Y241 PolarHBondContact O-N 2.97Å; Y241-P243 WeakPolarHBondContact O-CD 3.21Å; Y241-G246 VanDerWaalsContact OH-CA 3.29Å; Y241-G246 WeakPolarHBondContact OH-CA 3.36Å; Y241-G246 PolarHBondContact OH-O 3.26Å; Y241-G246 VanDerWaalsContact OH-O 3.06Å; Y241-Q247 VanDerWaalsContact CD2-O 3.28Å; Y241-Q247 WeakPolarHBondContact CD2-O 3.32Å; Y241-Q247 VanDerWaalsContact CZ-N 3.28Å; Y241-Q247 PolarHBondContact OH-N 3.16Å; Y241-P248 HydrophobicContact CD2-CG 4.39Å; Y241-F344 HydrophobicContact CD1-CD1 4.15Å; Y241-F344 HydrophobicContact CD1-CE1 4.25Å; Y241-F344 AromaticContact CE1-CD1 3.98Å; Y241-F344 HydrophobicContact CE1-CD1 3.98Å; Y241-F344 AromaticContact CE1-CE1 3.77Å; Y241-F344 HydrophobicContact CE1-CE1 3.77Å; Y241-C530 CarbonylContact O-C 3.54Å; Y241-C530 VanDerWaalsContact O-CA 3.23Å; Y241-C530 WeakPolarHBondContact O-CA 3.36Å; Y241-C530 VanDerWaalsContact O-CB 3.31Å; Y241-C530 WeakPolarHBondContact O-CB 3.42Å; Y241-V531 HydrophobicContact CD1-CG2 4.49Å; Y241-V531 PolarHBondContact N-O 2.94Å; Y241-V531 PolarHBondContact O-N 2.83Å; Y241-A533 HydrophobicContact CD1-CB 4Å; Y241-A533 HydrophobicContact CD2-CB 3.72Å; Y241-A533 HydrophobicContact CE2-CB 4.46Å; Y241-A533 HydrophobicContact CG-CB 3.44Å; Y241-A533 VanDerWaalsContact CG-CB 3.44Å
242S83.9Confident79.4Confident0 Ų048 Ų480%024%0.236CC..EExtended strand (participates in β ladder)trans-101107.8174.31720000108.4K244 D245 G246 Q247S242-K244 PolarHBondContact O-N 3.23Å; S242-D245 WeakPolarHBondContact CB-OD2 3.43Å; S242-D245 PolarHBondContact O-N 3.37Å; S242-D245 VanDerWaalsContact O-N 3.17Å; S242-D245 WeakPolarHBondContact OG-CB 3.5Å; S242-D245 PolarHBondContact OG-N 2.87Å; S242-D245 PolarHBondContact OG-OD2 3.16Å; S242-G246 PolarHBondContact O-N 2.84Å; S242-Q247 PolarHBondContact N-O 3.43Å
243P85.7Confident77.5Confident28 Ų2848 Ų4818%0.18224%0.236CC..THydrogen-bonded Turntrans-52.5-40.1177.8-32.838.9000114Y241 G246 F344 D528 V531Y241-P243 WeakPolarHBondContact O-CD 3.21Å; P243-G246 PolarHBondContact O-N 3.29Å; P243-F344 HydrophobicContact CB-CE1 4.4Å; P243-F344 HydrophobicContact CB-CE2 3.86Å; P243-F344 HydrophobicContact CB-CZ 3.58Å; P243-F344 HydrophobicContact CG-CD2 4.31Å; P243-F344 HydrophobicContact CG-CE2 3.67Å; P243-F344 HydrophobicContact CG-CZ 3.82Å; P243-D528 WeakPolarHBondContact CB-OD2 3.35Å; P243-D528 WeakPolarHBondContact CD-OD2 3.42Å; P243-V531 HydrophobicContact CG-CG1 4.16Å; P243-V531 HydrophobicContact CG-CG2 3.75Å
244K80.1Confident76.4Confident137 Ų13744.3 Ų44.360%0.59622%0.22SC*.THydrogen-bonded Turntrans-70.2-38.4179.4-174.9177.4179.8-177.80112.4S242 G246 S526 D528S242-K244 PolarHBondContact O-N 3.23Å; K244-G246 VanDerWaalsContact C-N 3.28Å; K244-S526 PolarHBondContact NZ-O 3.26Å; K244-D528 HydrophobicContact CB-CB 3.58Å; K244-D528 WeakPolarHBondContact CB-OD2 2.89Å; K244-D528 HydrophobicContact CD-CB 4.03Å; K244-D528 HydrophobicContact CG-CB 4.48Å; K244-D528 PolarHBondContact N-OD2 3.14Å
245D71.3Confident75.2Confident60 Ų6045.3 Ų45.332%0.32123%0.226SC..THydrogen-bonded Turntrans-82.1-12.1179.5-54.1-36.8000112.1S242 Q247 S524 S526S242-D245 WeakPolarHBondContact CB-OD2 3.43Å; S242-D245 PolarHBondContact O-N 3.37Å; S242-D245 VanDerWaalsContact O-N 3.17Å; S242-D245 WeakPolarHBondContact OG-CB 3.5Å; S242-D245 PolarHBondContact OG-N 2.87Å; S242-D245 PolarHBondContact OG-OD2 3.16Å; D245-Q247 HydrophobicContact CB-CG 3.94Å; D245-Q247 PolarHBondContact O-N 3.41Å; D245-S524 WeakPolarHBondContact OD2-CB 3.49Å; D245-S524 PolarHBondContact OD2-OG 2.89Å; D245-S526 WeakPolarHBondContact OD1-CB 3.38Å; D245-S526 PolarHBondContact OD1-OG 2.84Å; D245-S526 PolarHBondContact OD2-OG 2.85Å; D245-S526 VanDerWaalsContact OD2-OG 3.06Å
246G77Confident74.4Confident43 Ų4348.3 Ų48.344%0.44324%0.24SC..THydrogen-bonded Turntrans65.227.6178.800000113.4Y241 S242 P243 K244Y241-G246 VanDerWaalsContact OH-CA 3.29Å; Y241-G246 WeakPolarHBondContact OH-CA 3.36Å; Y241-G246 PolarHBondContact OH-O 3.26Å; Y241-G246 VanDerWaalsContact OH-O 3.06Å; S242-G246 PolarHBondContact O-N 2.84Å; P243-G246 PolarHBondContact O-N 3.29Å; K244-G246 VanDerWaalsContact C-N 3.28Å
247Q73.9Confident73.6Confident21 Ų2142.6 Ų42.610%0.09822%0.22CC..EExtended strand (participates in β ladder)trans-155.8164-175.167.9-177.75.600114.1Y241 S242 D245 C249 T584 Y585Y241-Q247 VanDerWaalsContact CD2-O 3.28Å; Y241-Q247 WeakPolarHBondContact CD2-O 3.32Å; Y241-Q247 VanDerWaalsContact CZ-N 3.28Å; Y241-Q247 PolarHBondContact OH-N 3.16Å; S242-Q247 PolarHBondContact N-O 3.43Å; D245-Q247 HydrophobicContact CB-CG 3.94Å; D245-Q247 PolarHBondContact O-N 3.41Å; Q247-C249 PolarHBondContact O-N 2.79Å; Q247-T584 WeakPolarHBondContact CB-OG1 3.25Å; Q247-T584 PolarHBondContact OE1-OG1 2.79Å; Q247-Y585 VanDerWaalsContact CD-CB 3.47Å
248P78.8Confident72.8Confident8 Ų842.8 Ų42.85%0.05222%0.223CC..EExtended strand (participates in β ladder)trans-54.7127.9169.6-25.535.8000111.9T239 I240 Y241 M250T239-P248 HydrophobicContact CG2-CB 3.73Å; T239-P248 HydrophobicContact CG2-CG 3.8Å; I240-P248 CarbonylContact O-C 3.59Å; I240-P248 VanDerWaalsContact O-CA 3.28Å; I240-P248 WeakPolarHBondContact O-CA 3.34Å; Y241-P248 HydrophobicContact CD2-CG 4.39Å; P248-M250 HydrophobicContact CB-CE 3.98Å
249C73.6Confident71.4Confident1 Ų141.5 Ų41.51%0.00723%0.233CC..  trans-102.694.4180-175.10000109.8I240 Q247 R254 C530I240-C249 WeakPolarHBondContact CB-O 3.37Å; I240-C249 HydrophobicContact CG2-CB 4.26Å; I240-C249 WeakPolarHBondContact CG2-O 3.48Å; I240-C249 PolarHBondContact O-N 2.91Å; Q247-C249 PolarHBondContact O-N 2.79Å; C249-R254 PolarHBondContact O-NE 3.38Å; C249-R254 PolarHBondContact O-NH2 3.27Å; C249-C530 PolarHBondContact SG-SG 3.32Å
250M68.6Low71.1Confident39 Ų3941.5 Ų41.519%0.19223%0.233CC..  trans-88174.6-177.9-63.8-62.8174.900111M96 T239 P248 H252 D253 R254M96-M250 HydrophobicContact CE-CB 4.14Å; T239-M250 WeakPolarHBondContact OG1-CE 3.15Å; P248-M250 HydrophobicContact CB-CE 3.98Å; M250-H252 PolarHBondContact O-N 2.94Å; M250-D253 PolarHBondContact N-OD2 3.43Å; M250-D253 WeakPolarHBondContact O-CA 3.29Å; M250-D253 WeakPolarHBondContact O-CB 3.36Å; M250-D253 PolarHBondContact O-N 2.87Å; M250-R254 WeakPolarHBondContact O-CG 3.48Å; M250-R254 PolarHBondContact O-N 2.81Å; M250-R254 PolarHBondContact O-NE 2.83Å
251D58Low70.9Confident65 Ų6542.6 Ų42.635%0.34825%0.245SC..G310 helixtrans-50.9-37.7-169.7-76.1-18.2000114.8D253 R254 E258 G259D251-D253 VanDerWaalsContact C-N 3.32Å; D251-D253 PolarHBondContact O-N 3.14Å; D251-R254 PolarHBondContact O-N 3.15Å; D251-R254 IonicContact OD1-CZ 3.74Å; D251-R254 VanDerWaalsContact OD1-CZ 3.24Å; D251-R254 IonicContact OD1-NE 3.81Å; D251-R254 IonicContact OD1-NH1 3.72Å; D251-R254 PolarHBondContact OD1-NH1 3.11Å; D251-R254 IonicContact OD1-NH2 2.79Å; D251-E258 WeakPolarHBondContact O-CG 3.23Å; D251-G259 PolarHBondContact OD1-N 3.24Å; D251-G259 PolarHBondContact OD2-N 3.33Å
252H52.1Low70.9Confident86 Ų8643.9 Ų43.940%0.39826%0.257SS..G310 helixtrans-75.8-18.3179.4-68.8-63.6000114.6P97 M250 R254 R525P97-H252 HydrophobicContact CG-CB 4.03Å; M250-H252 PolarHBondContact O-N 2.94Å; H252-R254 VanDerWaalsContact C-N 3.31Å; H252-R525 PolarHBondContact O-NE 3.43Å
253D54.3Low71.1Confident9 Ų946.3 Ų46.35%0.04827%0.268CS..G310 helixtrans-88.1-3.5177.1-49.6-40.3000112.2M96 M250 D251 S524 R525M96-D253 WeakPolarHBondContact CB-OD1 3.34Å; M96-D253 VanDerWaalsContact CE-CG 3.48Å; M96-D253 VanDerWaalsContact CE-OD1 3.25Å; M96-D253 WeakPolarHBondContact CE-OD1 3.49Å; M96-D253 WeakPolarHBondContact CE-OD2 3.38Å; M96-D253 VanDerWaalsContact SD-CG 3.59Å; M250-D253 PolarHBondContact N-OD2 3.43Å; M250-D253 WeakPolarHBondContact O-CA 3.29Å; M250-D253 WeakPolarHBondContact O-CB 3.36Å; M250-D253 PolarHBondContact O-N 2.87Å; D251-D253 VanDerWaalsContact C-N 3.32Å; D251-D253 PolarHBondContact O-N 3.14Å; D253-S524 CarbonylContact O-C 3.46Å; D253-S524 WeakPolarHBondContact O-CA 3.42Å; D253-R525 WeakPolarHBondContact O-CG 3.49Å; D253-R525 PolarHBondContact O-N 3.32Å
254R70.3Confident71.4Confident9 Ų948.1 Ų48.13%0.03427%0.274CS..EExtended strand (participates in β ladder)trans-93.4135.3-176.7-62.5170.4-163.1-176.3-6110.7I240 C249 M250 D251 H252 G257 V260 V522 M523I240-R254 VanDerWaalsContact CB-NH2 3.28Å; C249-R254 PolarHBondContact O-NE 3.38Å; C249-R254 PolarHBondContact O-NH2 3.27Å; M250-R254 WeakPolarHBondContact O-CG 3.48Å; M250-R254 PolarHBondContact O-N 2.81Å; M250-R254 PolarHBondContact O-NE 2.83Å; D251-R254 PolarHBondContact O-N 3.15Å; D251-R254 IonicContact OD1-CZ 3.74Å; D251-R254 VanDerWaalsContact OD1-CZ 3.24Å; D251-R254 IonicContact OD1-NE 3.81Å; D251-R254 IonicContact OD1-NH1 3.72Å; D251-R254 PolarHBondContact OD1-NH1 3.11Å; D251-R254 IonicContact OD1-NH2 2.79Å; H252-R254 VanDerWaalsContact C-N 3.31Å; R254-G257 WeakPolarHBondContact CD-O 3.48Å; R254-G257 PolarHBondContact NH1-O 3.25Å; R254-G257 VanDerWaalsContact NH1-O 3.11Å; R254-V260 PolarHBondContact NH1-O 3.01Å; R254-V260 PolarHBondContact NH2-O 3.2Å; R254-V522 HydrophobicContact CB-CG1 4.31Å; R254-V522 VanDerWaalsContact CD-CG1 3.46Å; R254-V522 HydrophobicContact CG-CG1 3.5Å; R254-M523 CarbonylContact C-O 3.46Å; R254-M523 VanDerWaalsContact CA-O 3.3Å; R254-M523 WeakPolarHBondContact CA-O 3.42Å
255Q65.4Low72Confident120 Ų12042.8 Ų42.856%0.56125%0.251SS*.EExtended strand (participates in β ladder)trans-78.3-40.8163.3-174.7176.86.400110.2M523Q255-M523 HydrophobicContact CB-CB 4.3Å; Q255-M523 PolarHBondContact N-O 3.33Å
256T69.2Low73.2Confident81 Ų8140 Ų4050%0.49724%0.236SC..EExtended strand (participates in β ladder)trans-137.6144.2-179.1-53.20000109.5V522 M523T256-V522 WeakPolarHBondContact O-CA 3.47Å; T256-M523 PolarHBondContact N-O 3.35Å; T256-M523 PolarHBondContact O-N 3.48Å
257G65.5Low74.1Confident16 Ų1638 Ų3817%0.16522%0.215CC..  trans92.229.3177.600000115.2R254 G259 V260R254-G257 WeakPolarHBondContact CD-O 3.48Å; R254-G257 PolarHBondContact NH1-O 3.25Å; R254-G257 VanDerWaalsContact NH1-O 3.11Å; G257-G259 PolarHBondContact O-N 3.43Å; G257-V260 WeakPolarHBondContact O-CB 3.47Å; G257-V260 WeakPolarHBondContact O-CG2 3.47Å; G257-V260 PolarHBondContact O-N 3.33Å; G257-V260 VanDerWaalsContact O-N 3.07Å
258E61.6Low75.2Confident61 Ų6137 Ų3729%0.28521%0.21SC..THydrogen-bonded Turntrans-54.1130.3168.2-73179-161.200110.7K151 D251 V260K151-E258 IonicContact NZ-OE1 3.5Å; K151-E258 PolarHBondContact NZ-OE1 2.89Å; D251-E258 WeakPolarHBondContact O-CG 3.23Å; E258-V260 VanDerWaalsContact C-N 3.34Å
259G57.3Low76Confident47 Ų4737.9 Ų37.949%0.48521%0.213SC..THydrogen-bonded Turntrans80.84.4-176.600000115.1D251 G257D251-G259 PolarHBondContact OD1-N 3.24Å; D251-G259 PolarHBondContact OD2-N 3.33Å; G257-G259 PolarHBondContact O-N 3.43Å
260V74.5Confident77.1Confident7 Ų737.8 Ų37.84%0.04221%0.213CC..PPolyproline II helixtrans-78.9121.9175.3174.80000110.1R254 G257 E258 P518 E519 K520 V522R254-V260 PolarHBondContact NH1-O 3.01Å; R254-V260 PolarHBondContact NH2-O 3.2Å; G257-V260 WeakPolarHBondContact O-CB 3.47Å; G257-V260 WeakPolarHBondContact O-CG2 3.47Å; G257-V260 PolarHBondContact O-N 3.33Å; G257-V260 VanDerWaalsContact O-N 3.07Å; E258-V260 VanDerWaalsContact C-N 3.34Å; V260-P518 HydrophobicContact CG1-CB 4.26Å; V260-E519 HydrophobicContact CG1-CB 4.04Å; V260-K520 HydrophobicContact CG1-CB 4.43Å; V260-K520 HydrophobicContact CG2-CB 3.98Å; V260-V522 HydrophobicContact CB-CG2 3.62Å; V260-V522 HydrophobicContact CG1-CG2 3.49Å; V260-V522 VanDerWaalsContact CG1-CG2 3.49Å; V260-V522 HydrophobicContact CG2-CG2 4.23Å
261G80.9Confident78.2Confident26 Ų2640.1 Ų40.127%0.26822%0.222SC..PPolyproline II helixtrans-97.7172.1176.400000112.9E519G261-E519 PolarHBondContact O-N 3.19Å; G261-E519 VanDerWaalsContact O-N 3.17Å
262P86.1Confident79.8Confident58 Ų5837.3 Ų37.338%0.37721%0.207SC..EExtended strand (participates in β ladder)trans-63.4133.4160.829.2-32.8000109.6M516 V532P262-M516 HydrophobicContact CB-SD 4.46Å; P262-V532 HydrophobicContact CB-CG1 3.87Å; P262-V532 HydrophobicContact CB-CG2 3.77Å
263Q88.9Confident81.5Confident51 Ų5135.4 Ų35.424%0.23820%0.201CC..EExtended strand (participates in β ladder)trans-109.1125.7172.8-175.2176.824.400109Y265 L302 M516 E517 E519Q263-Y265 HydrophobicContact CB-CE2 4.11Å; Q263-Y265 HydrophobicContact CG-CD2 4.29Å; Q263-Y265 HydrophobicContact CG-CE2 3.69Å; Q263-Y265 PolarHBondContact OE1-OH 3.12Å; Q263-L302 HydrophobicContact CG-CD2 4.41Å; Q263-M516 WeakPolarHBondContact O-CA 3.49Å; Q263-E517 WeakPolarHBondContact CA-O 3.42Å; Q263-E517 WeakPolarHBondContact CB-O 3.33Å; Q263-E517 PolarHBondContact N-O 2.99Å; Q263-E517 PolarHBondContact O-N 3.46Å; Q263-E519 HydrophobicContact CB-CB 4.31Å
264E92.3Very high82.6Confident66 Ų6641.3 Ų41.331%0.30823%0.228SC..EExtended strand (participates in β ladder)trans-80128.1178.4-169.4-176.7111.900111.2L302 K500 Q503 I514 M516E264-L302 WeakPolarHBondContact O-CD2 3.34Å; E264-K500 IonicContact OE1-NZ 2.98Å; E264-K500 IonicContact OE2-NZ 2.71Å; E264-Q503 PolarHBondContact OE1-NE2 3.46Å; E264-Q503 PolarHBondContact OE1-OE1 3.13Å; E264-I514 HydrophobicContact CG-CG2 3.95Å; E264-M516 WeakPolarHBondContact CA-SD 3.39Å; E264-M516 HydrophobicContact CB-CE 3.7Å; E264-M516 HydrophobicContact CB-SD 3.6Å; E264-M516 VanDerWaalsContact CB-SD 3.6Å; E264-M516 HydrophobicContact CG-CE 3.62Å; E264-M516 HydrophobicContact CG-SD 4.01Å
265Y93.3Very high82.8Confident25 Ų2546.3 Ų46.310%0.09826%0.262CS..EExtended strand (participates in β ladder)trans-118.5147.4168.5-73-99.1000109.7Q263 A300 L302 Y515 E517Q263-Y265 HydrophobicContact CB-CE2 4.11Å; Q263-Y265 HydrophobicContact CG-CD2 4.29Å; Q263-Y265 HydrophobicContact CG-CE2 3.69Å; Q263-Y265 PolarHBondContact OE1-OH 3.12Å; Y265-A300 HydrophobicContact CD1-CB 3.86Å; Y265-A300 HydrophobicContact CG-CB 4.17Å; Y265-L302 HydrophobicContact CD1-CD2 3.73Å; Y265-L302 HydrophobicContact CD1-CG 3.82Å; Y265-L302 HydrophobicContact CD2-CD2 4.36Å; Y265-L302 HydrophobicContact CE1-CD1 4.04Å; Y265-L302 HydrophobicContact CE1-CD2 3.67Å; Y265-L302 HydrophobicContact CE1-CG 3.51Å; Y265-L302 HydrophobicContact CE2-CD2 4.29Å; Y265-L302 HydrophobicContact CG-CD2 4.08Å; Y265-Y515 WeakPolarHBondContact CA-O 3.41Å; Y265-Y515 PolarHBondContact N-O 3.24Å; Y265-Y515 PolarHBondContact O-N 3.39Å; Y265-Y515 VanDerWaalsContact O-O 3.11Å; Y265-E517 HydrophobicContact CD2-CB 4.43Å; Y265-E517 HydrophobicContact CE2-CB 4.37Å
266T95.5Very high83.3Confident2 Ų243 Ų431%0.01225%0.245CC..EExtended strand (participates in β ladder)trans-86121.5165.3-49.60000108I268 T301 P304 Q503 M506 A512T266-I268 HydrophobicContact CG2-CD1 3.86Å; T266-T301 PolarHBondContact N-O 3.31Å; T266-T301 PolarHBondContact O-N 2.85Å; T266-P304 HydrophobicContact CG2-CB 4.16Å; T266-Q503 HydrophobicContact CG2-CG 4.09Å; T266-Q503 WeakPolarHBondContact OG1-CG 3.01Å; T266-Q503 PolarHBondContact OG1-NE2 3.29Å; T266-M506 HydrophobicContact CG2-CE 4.28Å; T266-A512 HydrophobicContact CG2-CB 3.81Å
267L96.3Very high83.3Confident0 Ų040.7 Ų40.70%023%0.231CC..EExtended strand (participates in β ladder)trans-96.3103-179.6-169.374.8000109.9V298 A299 A300 F332 M342 F347 T394 A512 L513 Y515L267-V298 HydrophobicContact CD1-CB 3.95Å; L267-V298 HydrophobicContact CD1-CG2 4.43Å; L267-V298 HydrophobicContact CD2-CB 4Å; L267-V298 HydrophobicContact CD2-CG1 4.29Å; L267-V298 HydrophobicContact CD2-CG2 4.48Å; L267-V298 HydrophobicContact CG-CB 3.94Å; L267-A299 CarbonylContact C-O 3.52Å; L267-A299 WeakPolarHBondContact CA-O 3.22Å; L267-A300 HydrophobicContact CD1-CB 4.49Å; L267-F332 HydrophobicContact CD2-CE2 4.41Å; L267-M342 HydrophobicContact CD1-CE 3.72Å; L267-M342 HydrophobicContact CD2-CE 3.48Å; L267-M342 VanDerWaalsContact CD2-CE 3.48Å; L267-M342 HydrophobicContact CD2-SD 4.08Å; L267-M342 HydrophobicContact CG-CE 4.26Å; L267-F347 HydrophobicContact CD2-CE1 3.74Å; L267-F347 HydrophobicContact CD2-CZ 4.4Å; L267-T394 HydrophobicContact CD1-CG2 3.48Å; L267-T394 VanDerWaalsContact CD1-CG2 3.48Å; L267-A512 CarbonylContact O-C 3.54Å; L267-A512 WeakPolarHBondContact O-CA 3.49Å; L267-A512 WeakPolarHBondContact O-CB 3.46Å; L267-L513 HydrophobicContact CB-CB 4.41Å; L267-L513 WeakPolarHBondContact CB-O 3.33Å; L267-L513 PolarHBondContact N-O 2.7Å; L267-L513 PolarHBondContact O-N 2.81Å; L267-Y515 HydrophobicContact CD1-CD1 4.48Å; L267-Y515 HydrophobicContact CD1-CG 4.46Å
268I97Very high83.2Confident0 Ų043.9 Ų43.90%026%0.256CS..EExtended strand (participates in β ladder)trans-81.2129-177.2-54.1-62000109.7T266 M270 V298 A299 T301 M307 P373 T398 M506 A512T266-I268 HydrophobicContact CG2-CD1 3.86Å; I268-M270 HydrophobicContact CG2-CG 4.3Å; I268-V298 WeakPolarHBondContact O-CA 3.49Å; I268-A299 PolarHBondContact N-O 2.99Å; I268-A299 PolarHBondContact O-N 2.8Å; I268-T301 HydrophobicContact CD1-CG2 4.16Å; I268-T301 HydrophobicContact CG1-CG2 3.81Å; I268-M307 HydrophobicContact CD1-CG 3.81Å; I268-M307 HydrophobicContact CD1-SD 3.97Å; I268-M307 HydrophobicContact CG1-CG 4.26Å; I268-M307 HydrophobicContact CG1-SD 3.71Å; I268-P373 HydrophobicContact CG2-CG 3.92Å; I268-T398 HydrophobicContact CB-CG2 4.4Å; I268-T398 HydrophobicContact CG1-CG2 4.36Å; I268-M506 HydrophobicContact CD1-CE 4.23Å; I268-M506 HydrophobicContact CD1-SD 4Å; I268-A512 HydrophobicContact CD1-CB 4.08Å
269K95.8Very high83.5Confident26 Ų2646 Ų4611%0.11326%0.264CS..EExtended strand (participates in β ladder)trans-95.8108.7177.3-64.7169.758.1-170.50110F296 V298 D330 F332 P373 G510 E511 L513K269-F296 HydrophobicContact CB-CB 4.48Å; K269-F296 HydrophobicContact CB-CD1 3.81Å; K269-F296 HydrophobicContact CB-CE1 4.34Å; K269-F296 HydrophobicContact CB-CG 4.3Å; K269-V298 HydrophobicContact CG-CG1 4.35Å; K269-D330 IonicContact NZ-OD2 3.76Å; K269-F332 HydrophobicContact CD-CE1 4.44Å; K269-F332 HydrophobicContact CD-CZ 4.09Å; K269-F332 HydrophobicContact CG-CE1 4.46Å; K269-F332 HydrophobicContact CG-CZ 4.2Å; K269-P373 WeakPolarHBondContact O-CD 3.41Å; K269-G510 PolarHBondContact NZ-O 3.48Å; K269-E511 WeakPolarHBondContact CB-O 3.27Å; K269-E511 PolarHBondContact N-O 3.47Å; K269-L513 HydrophobicContact CD-CD1 4.29Å; K269-L513 HydrophobicContact CD-CG 4.3Å
270M95.3Very high84.1Confident0 Ų044 Ų440%024%0.242CC..EExtended strand (participates in β ladder)trans-100112.8174.3-66174.1-74.500109.8I268 F296 L297 A299 C313 L370 S371 A372 I380 V396I268-M270 HydrophobicContact CG2-CG 4.3Å; M270-F296 CarbonylContact O-C 3.4Å; M270-F296 VanDerWaalsContact O-CA 3.29Å; M270-F296 WeakPolarHBondContact O-CA 3.35Å; M270-L297 HydrophobicContact CB-CB 4.35Å; M270-L297 HydrophobicContact CE-CB 4.19Å; M270-L297 PolarHBondContact N-O 3.34Å; M270-L297 PolarHBondContact O-N 2.59Å; M270-A299 HydrophobicContact CE-CB 3.52Å; M270-C313 HydrophobicContact CE-CB 4.11Å; M270-C313 WeakPolarHBondContact CE-SG 3.49Å; M270-C313 HydrophobicContact SD-CB 3.9Å; M270-L370 HydrophobicContact CB-CB 4.4Å; M270-L370 HydrophobicContact CB-CD1 4.49Å; M270-L370 HydrophobicContact SD-CD1 4.35Å; M270-S371 CarbonylContact C-O 3.58Å; M270-S371 WeakPolarHBondContact CA-O 3.34Å; M270-A372 HydrophobicContact CG-CB 3.94Å; M270-A372 HydrophobicContact SD-CB 4.44Å; M270-I380 HydrophobicContact SD-CD1 4.32Å; M270-V396 HydrophobicContact CE-CG1 3.99Å
271K93.5Very high83.8Confident88 Ų8848.6 Ų48.638%0.38326%0.261SS..EExtended strand (participates in β ladder)trans-75128.7-176.5-172.2175.2-176.5170.50110.2V273 N294 F296 L370 S371K271-V273 PolarHBondContact O-N 2.82Å; K271-N294 VanDerWaalsContact CE-OD1 3.27Å; K271-N294 WeakPolarHBondContact CE-OD1 3.16Å; K271-N294 PolarHBondContact NZ-OD1 3.48Å; K271-F296 HydrophobicContact CB-CD1 3.9Å; K271-F296 HydrophobicContact CB-CE1 3.66Å; K271-F296 HydrophobicContact CD-CE1 4.41Å; K271-F296 HydrophobicContact CG-CD1 4.41Å; K271-F296 HydrophobicContact CG-CE1 3.99Å; K271-F296 HydrophobicContact CG-CZ 4.48Å; K271-L370 CarbonylContact O-C 3.55Å; K271-L370 VanDerWaalsContact O-CA 3.27Å; K271-L370 WeakPolarHBondContact O-CA 3.35Å; K271-S371 PolarHBondContact N-O 2.8Å; K271-S371 PolarHBondContact O-N 3.38Å
272V90.1Very high83Confident6 Ų650.6 Ų50.64%0.03627%0.271CS..EExtended strand (participates in β ladder)trans-74.6123.8172.5-171.40000109.4Y276 F280 I295 L297 C368 L370V272-Y276 HydrophobicContact CB-CE1 4.48Å; V272-Y276 HydrophobicContact CG1-CD1 3.92Å; V272-Y276 HydrophobicContact CG1-CE1 3.82Å; V272-F280 HydrophobicContact CG1-CE1 4.14Å; V272-I295 HydrophobicContact CB-CB 4.3Å; V272-I295 HydrophobicContact CB-CG2 4.42Å; V272-I295 HydrophobicContact CG2-CB 4.24Å; V272-I295 HydrophobicContact CG2-CG2 3.88Å; V272-I295 PolarHBondContact N-O 2.91Å; V272-L297 HydrophobicContact CG2-CG 4.33Å; V272-C368 HydrophobicContact CG1-CB 4.25Å; V272-L370 HydrophobicContact CB-CD2 4.41Å; V272-L370 HydrophobicContact CG2-CD2 3.86Å
273V88Confident81.9Confident46 Ų4651.6 Ų51.628%0.27927%0.27SS..EExtended strand (participates in β ladder)trans-107.1147.9-174.8-169.80000110.2K271 A369K271-V273 PolarHBondContact O-N 2.82Å; V273-A369 HydrophobicContact CB-CB 4.5Å; V273-A369 PolarHBondContact N-O 3.21Å
274E77.8Confident80.6Confident132 Ų13249.5 Ų49.562%0.61726%0.261SS*.SBendtrans-72.7147.2172.9-67.2-170.8164.700111.7Y276E274-Y276 HydrophobicContact CG-CD1 4.43Å; E274-Y276 HydrophobicContact CG-CD2 4.5Å; E274-Y276 HydrophobicContact CG-CE1 4.02Å; E274-Y276 HydrophobicContact CG-CE2 4.09Å
275P73.7Confident78.8Confident114 Ų11451.9 Ų51.974%0.7427%0.27SS*.SBendcis-81.1135.45.731.5-34000113.5
276Y76.1Confident76.8Confident50 Ų5060.7 Ų60.720%0.19631%0.305CS..PPolyproline II helixtrans-66.8142.4171-57.7-37.6000111.2V272 E274 F280 F285V272-Y276 HydrophobicContact CB-CE1 4.48Å; V272-Y276 HydrophobicContact CG1-CD1 3.92Å; V272-Y276 HydrophobicContact CG1-CE1 3.82Å; E274-Y276 HydrophobicContact CG-CD1 4.43Å; E274-Y276 HydrophobicContact CG-CD2 4.5Å; E274-Y276 HydrophobicContact CG-CE1 4.02Å; E274-Y276 HydrophobicContact CG-CE2 4.09Å; Y276-F280 HydrophobicContact CD1-CD1 4.17Å; Y276-F280 HydrophobicContact CD1-CE1 4.33Å; Y276-F280 HydrophobicContact CG-CD1 4.12Å; Y276-F285 HydrophobicContact CD2-CE2 4.25Å
277T70.4Confident74.9Confident33 Ų3361.9 Ų61.920%0.20231%0.313CS..PPolyproline II helixtrans-61.4151.2175.468.90000110.4K279 F280 K281 G367T277-K279 PolarHBondContact O-N 2.9Å; T277-F280 PolarHBondContact O-N 2.89Å; T277-F280 VanDerWaalsContact O-N 3.08Å; T277-F280 WeakPolarHBondContact OG1-CB 3.49Å; T277-F280 PolarHBondContact OG1-N 3Å; T277-K281 VanDerWaalsContact O-CB 3.24Å; T277-K281 WeakPolarHBondContact O-CB 3.5Å; T277-K281 PolarHBondContact O-N 3.13Å; T277-G367 VanDerWaalsContact CG2-C 3.5Å; T277-G367 WeakPolarHBondContact CG2-O 3.35Å
278A63.8Low72.8Confident84 Ų8468.1 Ų68.169%0.69436%0.357SS*.Hα-helixtrans-57.5-34.7-177.800000113S282A278-S282 WeakPolarHBondContact O-CB 3.42Å; A278-S282 PolarHBondContact O-N 3.39Å; A278-S282 PolarHBondContact O-OG 2.84Å
279K67.5Low71Confident106 Ų10669.4 Ų69.446%0.46137%0.37SS..Hα-helixtrans-71-39.5175.9-67.8-177.5-179.91770112.9T277 S282T277-K279 PolarHBondContact O-N 2.9Å; K279-S282 PolarHBondContact O-OG 2.94Å; K279-S282 VanDerWaalsContact O-OG 3.06Å
280F70.5Confident69.5Low4 Ų468.4 Ų68.42%0.01837%0.366CS..Hα-helixtrans-71.3-43.3175.3-164.4-105.4000110.5V272 Y276 T277 S282 K283 V284 I295 I333 I360V272-F280 HydrophobicContact CG1-CE1 4.14Å; Y276-F280 HydrophobicContact CD1-CD1 4.17Å; Y276-F280 HydrophobicContact CD1-CE1 4.33Å; Y276-F280 HydrophobicContact CG-CD1 4.12Å; T277-F280 PolarHBondContact O-N 2.89Å; T277-F280 VanDerWaalsContact O-N 3.08Å; T277-F280 WeakPolarHBondContact OG1-CB 3.49Å; T277-F280 PolarHBondContact OG1-N 3Å; F280-S282 PolarHBondContact O-N 3.05Å; F280-K283 PolarHBondContact O-N 2.95Å; F280-V284 HydrophobicContact CD1-CG2 3.78Å; F280-V284 HydrophobicContact CD2-CG2 4.44Å; F280-V284 HydrophobicContact CE1-CG2 3.64Å; F280-V284 HydrophobicContact CE2-CG2 4.3Å; F280-V284 HydrophobicContact CG-CG2 4.18Å; F280-V284 HydrophobicContact CZ-CG2 3.9Å; F280-V284 VanDerWaalsContact O-CB 3.31Å; F280-V284 WeakPolarHBondContact O-CB 3.5Å; F280-V284 WeakPolarHBondContact O-CG2 3.39Å; F280-V284 PolarHBondContact O-N 3.28Å; F280-I295 HydrophobicContact CE1-CD1 4.26Å; F280-I295 HydrophobicContact CZ-CG2 4.33Å; F280-I333 HydrophobicContact CE2-CD1 4.08Å; F280-I333 HydrophobicContact CZ-CD1 3.96Å; F280-I360 HydrophobicContact CE2-CD1 4.4Å
281K67.5Low68Low103 Ų10377 Ų7745%0.44840%0.403SS..Hα-helixtrans-61.8-42.6178.5-163.1178.1-178.8174.70112.4T277 K283 V284 F285T277-K281 VanDerWaalsContact O-CB 3.24Å; T277-K281 WeakPolarHBondContact O-CB 3.5Å; T277-K281 PolarHBondContact O-N 3.13Å; K281-K283 PolarHBondContact O-N 2.81Å; K281-V284 PolarHBondContact O-N 2.91Å; K281-F285 HydrophobicContact CD-CD2 4.3Å; K281-F285 HydrophobicContact CD-CE2 4.34Å; K281-F285 HydrophobicContact CG-CD2 3.44Å; K281-F285 VanDerWaalsContact CG-CD2 3.44Å; K281-F285 HydrophobicContact CG-CE2 3.88Å; K281-F285 HydrophobicContact CG-CG 4.22Å; K281-F285 WeakPolarHBondContact O-CB 3.18Å; K281-F285 PolarHBondContact O-N 3.48Å
282S63Low66.9Low68 Ų6876.9 Ų76.948%0.47643%0.427SS..Hα-helixtrans-66.1-22178.365.60000113.7A278 K279 F280 Y286A278-S282 WeakPolarHBondContact O-CB 3.42Å; A278-S282 PolarHBondContact O-N 3.39Å; A278-S282 PolarHBondContact O-OG 2.84Å; K279-S282 PolarHBondContact O-OG 2.94Å; K279-S282 VanDerWaalsContact O-OG 3.06Å; F280-S282 PolarHBondContact O-N 3.05Å; S282-Y286 VanDerWaalsContact O-CD2 3.28Å; S282-Y286 WeakPolarHBondContact O-CD2 3.2Å
283K64.5Low66.5Low79 Ų7979.4 Ų79.434%0.34344%0.437SS..Hα-helixtrans-93-33.9173.1-69.3-167.3172.9-172.20113.2F280 K281 M358 D364F280-K283 PolarHBondContact O-N 2.95Å; K281-K283 PolarHBondContact O-N 2.81Å; K283-M358 HydrophobicContact CB-CE 3.6Å; K283-M358 HydrophobicContact CD-CE 4.03Å; K283-M358 HydrophobicContact CG-CE 4.34Å; K283-D364 WeakPolarHBondContact CE-OD2 3.46Å; K283-D364 IonicContact NZ-OD1 3.78Å; K283-D364 IonicContact NZ-OD2 2.66Å; K283-D364 PolarHBondContact NZ-OD2 3.23Å
284V61.2Low66.5Low8 Ų880.3 Ų80.35%0.04844%0.441CS..Hα-helixtrans-82.6-41.4-175.5173.10000112.9F280 K281 Y286 S287 M290 I295F280-V284 HydrophobicContact CD1-CG2 3.78Å; F280-V284 HydrophobicContact CD2-CG2 4.44Å; F280-V284 HydrophobicContact CE1-CG2 3.64Å; F280-V284 HydrophobicContact CE2-CG2 4.3Å; F280-V284 HydrophobicContact CG-CG2 4.18Å; F280-V284 HydrophobicContact CZ-CG2 3.9Å; F280-V284 VanDerWaalsContact O-CB 3.31Å; F280-V284 WeakPolarHBondContact O-CB 3.5Å; F280-V284 WeakPolarHBondContact O-CG2 3.39Å; F280-V284 PolarHBondContact O-N 3.28Å; K281-V284 PolarHBondContact O-N 2.91Å; V284-Y286 VanDerWaalsContact C-N 3.35Å; V284-Y286 PolarHBondContact O-N 2.91Å; V284-S287 PolarHBondContact O-N 3.12Å; V284-S287 PolarHBondContact O-OG 3.41Å; V284-S287 VanDerWaalsContact O-OG 3.06Å; V284-M290 HydrophobicContact CB-SD 4.31Å; V284-M290 HydrophobicContact CG1-CB 3.97Å; V284-M290 HydrophobicContact CG1-SD 3.92Å; V284-M290 HydrophobicContact CG2-SD 3.88Å; V284-I295 HydrophobicContact CG1-CD1 4.17Å
285F53.8Low67.1Low116 Ų11674.2 Ų74.251%0.50941%0.412SS..THydrogen-bonded Turntrans-73.2-20.4-174.7-101.3-100.7000114.9Y276 K281Y276-F285 HydrophobicContact CD2-CE2 4.25Å; K281-F285 HydrophobicContact CD-CD2 4.3Å; K281-F285 HydrophobicContact CD-CE2 4.34Å; K281-F285 HydrophobicContact CG-CD2 3.44Å; K281-F285 VanDerWaalsContact CG-CD2 3.44Å; K281-F285 HydrophobicContact CG-CE2 3.88Å; K281-F285 HydrophobicContact CG-CG 4.22Å; K281-F285 WeakPolarHBondContact O-CB 3.18Å; K281-F285 PolarHBondContact O-N 3.48Å
286Y51.4Low68Low210 Ų21069.8 Ų69.882%0.82438%0.381SS*.THydrogen-bonded Turntrans-93.5-4.3177.8-67.8-83.8000113.4S282 V284S282-Y286 VanDerWaalsContact O-CD2 3.28Å; S282-Y286 WeakPolarHBondContact O-CD2 3.2Å; V284-Y286 VanDerWaalsContact C-N 3.35Å; V284-Y286 PolarHBondContact O-N 2.91Å
287S56.4Low68.9Low26 Ų2667.5 Ų67.518%0.18237%0.372CS..  trans-94.6115.817364.60000110V284 G289 M290V284-S287 PolarHBondContact O-N 3.12Å; V284-S287 PolarHBondContact O-OG 3.41Å; V284-S287 VanDerWaalsContact O-OG 3.06Å; S287-G289 PolarHBondContact O-N 3.35Å; S287-M290 PolarHBondContact O-N 3.35Å
288S51.3Low70.1Confident132 Ų13265.9 Ų65.992%0.92336%0.363SS*.THydrogen-bonded Turntrans-58.8-16.5179.5400000113.8
289G59.3Low71.7Confident26 Ų2661.9 Ų61.927%0.26833%0.33SS..THydrogen-bonded Turntrans-87.9-9-177.200000117S287 K293S287-G289 PolarHBondContact O-N 3.35Å; G289-K293 VanDerWaalsContact O-CD 3.26Å; G289-K293 WeakPolarHBondContact O-CD 3.47Å; G289-K293 WeakPolarHBondContact O-CE 3.37Å; G289-K293 PolarHBondContact O-NZ 2.91Å
290M65.2Low73Confident6 Ų657.6 Ų57.63%0.0331%0.314CS..THydrogen-bonded Turntrans-110.2-11.9-175.4-69.3-160.8174.700115.3V284 S287 G292 K293 I295 A323 V331 I357 M358V284-M290 HydrophobicContact CB-SD 4.31Å; V284-M290 HydrophobicContact CG1-CB 3.97Å; V284-M290 HydrophobicContact CG1-SD 3.92Å; V284-M290 HydrophobicContact CG2-SD 3.88Å; S287-M290 PolarHBondContact O-N 3.35Å; M290-G292 PolarHBondContact O-N 3.02Å; M290-K293 PolarHBondContact O-N 3.29Å; M290-I295 HydrophobicContact SD-CD1 4.41Å; M290-A323 HydrophobicContact CE-CB 3.3Å; M290-V331 HydrophobicContact CE-CG1 3.99Å; M290-I357 HydrophobicContact CE-CB 4.14Å; M290-I357 HydrophobicContact CE-CD1 4.4Å; M290-I357 HydrophobicContact CE-CG2 3.92Å; M290-I357 HydrophobicContact CG-CD1 4.46Å; M290-I357 HydrophobicContact CG-CG2 4.02Å; M290-M358 HydrophobicContact CE-CG 3.56Å; M290-M358 HydrophobicContact CE-SD 3.49Å; M290-M358 WeakPolarHBondContact CE-SD 3.34Å; M290-M358 HydrophobicContact SD-SD 3.99Å
291K63.3Low74.1Confident180 Ų18058.1 Ų58.178%0.78332%0.317SS*.THydrogen-bonded Turntrans-69.2117.7-175.2-165.4176.9-178.2-178.70110.7
292G69.8Low75.2Confident86 Ų8655.7 Ų55.789%0.88731%0.309SS*.THydrogen-bonded Turntrans85.34.8178.600000115.6M290M290-G292 PolarHBondContact O-N 3.02Å
293K82Confident76.6Confident58 Ų5853.2 Ų53.225%0.25229%0.289SS..  trans-95.6151.1176.5-61.9-171.4-177.6-1750111.5G289 M290 E325 G329 V331G289-K293 VanDerWaalsContact O-CD 3.26Å; G289-K293 WeakPolarHBondContact O-CD 3.47Å; G289-K293 WeakPolarHBondContact O-CE 3.37Å; G289-K293 PolarHBondContact O-NZ 2.91Å; M290-K293 PolarHBondContact O-N 3.29Å; K293-E325 IonicContact NZ-OE1 2.83Å; K293-E325 PolarHBondContact NZ-OE1 2.87Å; K293-E325 IonicContact NZ-OE2 2.67Å; K293-E325 PolarHBondContact NZ-OE2 3.46Å; K293-E325 VanDerWaalsContact NZ-OE2 3.08Å; K293-G329 WeakPolarHBondContact CD-O 3.36Å; K293-V331 HydrophobicContact CB-CG2 4.03Å; K293-V331 HydrophobicContact CD-CG2 3.89Å
294N87.4Confident78Confident66 Ų6649.5 Ų49.535%0.35327%0.273SS..  trans-76.7131.8170.5-60.2-64000109.8K271 F296 D330 V331K271-N294 VanDerWaalsContact CE-OD1 3.27Å; K271-N294 WeakPolarHBondContact CE-OD1 3.16Å; K271-N294 PolarHBondContact NZ-OD1 3.48Å; N294-F296 HydrophobicContact CB-CD2 4.26Å; N294-F296 HydrophobicContact CB-CE2 3.45Å; N294-F296 VanDerWaalsContact CB-CE2 3.45Å; N294-F296 HydrophobicContact CB-CZ 3.89Å; N294-D330 WeakPolarHBondContact CB-OD1 3.45Å; N294-D330 PolarHBondContact ND2-OD1 2.99Å; N294-V331 PolarHBondContact O-N 3.35Å
295I90.3Very high79.5Confident3 Ų349.1 Ų49.12%0.01527%0.271CS..EExtended strand (participates in β ladder)trans-109127.7179.4-54.4170.9000108.4V272 F280 V284 M290 V331 I333V272-I295 HydrophobicContact CB-CB 4.3Å; V272-I295 HydrophobicContact CB-CG2 4.42Å; V272-I295 HydrophobicContact CG2-CB 4.24Å; V272-I295 HydrophobicContact CG2-CG2 3.88Å; V272-I295 PolarHBondContact N-O 2.91Å; F280-I295 HydrophobicContact CE1-CD1 4.26Å; F280-I295 HydrophobicContact CZ-CG2 4.33Å; V284-I295 HydrophobicContact CG1-CD1 4.17Å; M290-I295 HydrophobicContact SD-CD1 4.41Å; I295-V331 WeakPolarHBondContact CA-O 3.37Å; I295-V331 HydrophobicContact CG1-CB 4.36Å; I295-I333 HydrophobicContact CG2-CD1 3.62Å; I295-I333 HydrophobicContact CG2-CG1 4.18Å
296F94.1Very high81.4Confident22 Ų2244 Ų4410%0.09625%0.249CC..EExtended strand (participates in β ladder)trans-123.7129.9179.6-61.6-85.2000111.5K269 M270 K271 N294 V298 D330 V331 F332 I333K269-F296 HydrophobicContact CB-CB 4.48Å; K269-F296 HydrophobicContact CB-CD1 3.81Å; K269-F296 HydrophobicContact CB-CE1 4.34Å; K269-F296 HydrophobicContact CB-CG 4.3Å; M270-F296 CarbonylContact O-C 3.4Å; M270-F296 VanDerWaalsContact O-CA 3.29Å; M270-F296 WeakPolarHBondContact O-CA 3.35Å; K271-F296 HydrophobicContact CB-CD1 3.9Å; K271-F296 HydrophobicContact CB-CE1 3.66Å; K271-F296 HydrophobicContact CD-CE1 4.41Å; K271-F296 HydrophobicContact CG-CD1 4.41Å; K271-F296 HydrophobicContact CG-CE1 3.99Å; K271-F296 HydrophobicContact CG-CZ 4.48Å; N294-F296 HydrophobicContact CB-CD2 4.26Å; N294-F296 HydrophobicContact CB-CE2 3.45Å; N294-F296 VanDerWaalsContact CB-CE2 3.45Å; N294-F296 HydrophobicContact CB-CZ 3.89Å; F296-V298 HydrophobicContact CB-CG1 4.3Å; F296-D330 HydrophobicContact CD2-CB 4.1Å; F296-D330 HydrophobicContact CE2-CB 4Å; F296-V331 PolarHBondContact N-O 2.63Å; F296-F332 HydrophobicContact CB-CD1 3.92Å; F296-F332 HydrophobicContact CB-CE1 4.05Å; F296-F332 HydrophobicContact CD2-CD1 4.23Å; F296-F332 AromaticContact CD2-CE1 3.93Å; F296-F332 HydrophobicContact CD2-CE1 3.93Å; F296-F332 HydrophobicContact CG-CD1 4.49Å; F296-F332 HydrophobicContact CG-CE1 4.26Å; F296-I333 PolarHBondContact O-N 3.33Å
297L94.9Very high83.5Confident1 Ų134 Ų341%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-78.1123.8158.1-64.5-173.3000107.7M270 V272 I333 I365 L370 A382 V396M270-L297 HydrophobicContact CB-CB 4.35Å; M270-L297 HydrophobicContact CE-CB 4.19Å; M270-L297 PolarHBondContact N-O 3.34Å; M270-L297 PolarHBondContact O-N 2.59Å; V272-L297 HydrophobicContact CG2-CG 4.33Å; L297-I333 HydrophobicContact CD2-CB 3.73Å; L297-I333 HydrophobicContact CD2-CD1 3.98Å; L297-I333 HydrophobicContact CD2-CG1 4.38Å; L297-I333 HydrophobicContact CD2-CG2 3.84Å; L297-I365 HydrophobicContact CD1-CG2 3.86Å; L297-I365 HydrophobicContact CD2-CG2 3.92Å; L297-L370 HydrophobicContact CD1-CD1 3.72Å; L297-L370 HydrophobicContact CD1-CD2 3.64Å; L297-L370 HydrophobicContact CD1-CG 4.31Å; L297-L370 HydrophobicContact CG-CD2 3.98Å; L297-A382 HydrophobicContact CD1-CB 4.36Å; L297-V396 HydrophobicContact CB-CG1 4.33Å
298V96.1Very high85.4Confident0 Ų034 Ų340%021%0.207CC..EExtended strand (participates in β ladder)trans-106.7115-177.5-68.20000110.7L267 I268 K269 F296 F332 I333 M342 T394L267-V298 HydrophobicContact CD1-CB 3.95Å; L267-V298 HydrophobicContact CD1-CG2 4.43Å; L267-V298 HydrophobicContact CD2-CB 4Å; L267-V298 HydrophobicContact CD2-CG1 4.29Å; L267-V298 HydrophobicContact CD2-CG2 4.48Å; L267-V298 HydrophobicContact CG-CB 3.94Å; I268-V298 WeakPolarHBondContact O-CA 3.49Å; K269-V298 HydrophobicContact CG-CG1 4.35Å; F296-V298 HydrophobicContact CB-CG1 4.3Å; V298-F332 HydrophobicContact CB-CD2 4.48Å; V298-F332 HydrophobicContact CG1-CB 4.2Å; V298-F332 HydrophobicContact CG1-CD1 3.8Å; V298-F332 HydrophobicContact CG1-CD2 3.6Å; V298-F332 HydrophobicContact CG1-CE1 4.02Å; V298-F332 HydrophobicContact CG1-CE2 3.82Å; V298-F332 HydrophobicContact CG1-CG 3.59Å; V298-F332 HydrophobicContact CG1-CZ 4.02Å; V298-F332 HydrophobicContact CG2-CB 4.2Å; V298-F332 HydrophobicContact CG2-CD2 4.25Å; V298-F332 HydrophobicContact CG2-CG 4.36Å; V298-I333 PolarHBondContact N-O 2.8Å; V298-M342 HydrophobicContact CG2-CE 4.12Å; V298-T394 HydrophobicContact CG2-CG2 4.45Å; V298-T394 WeakPolarHBondContact O-CB 3.46Å; V298-T394 PolarHBondContact O-OG1 2.88Å
299A96.1Very high87.4Confident0 Ų027.7 Ų27.70%016%0.163CC..EExtended strand (participates in β ladder)trans-112.4131.6-175.200000111.7L267 I268 M270 V396 T398L267-A299 CarbonylContact C-O 3.52Å; L267-A299 WeakPolarHBondContact CA-O 3.22Å; I268-A299 PolarHBondContact N-O 2.99Å; I268-A299 PolarHBondContact O-N 2.8Å; M270-A299 HydrophobicContact CE-CB 3.52Å; A299-V396 WeakPolarHBondContact CA-O 3.23Å; A299-V396 HydrophobicContact CB-CB 4.28Å; A299-V396 HydrophobicContact CB-CG1 3.96Å; A299-V396 WeakPolarHBondContact CB-O 3.33Å; A299-T398 HydrophobicContact CB-CG2 3.68Å
300A94.9Very high89.2Confident16 Ų1626.5 Ų26.513%0.13215%0.15CC..EExtended strand (participates in β ladder)trans-88.4128.6178.300000111.2Y265 L267 T394 Y515Y265-A300 HydrophobicContact CD1-CB 3.86Å; Y265-A300 HydrophobicContact CG-CB 4.17Å; L267-A300 HydrophobicContact CD1-CB 4.49Å; A300-T394 HydrophobicContact CB-CG2 4.29Å; A300-Y515 HydrophobicContact CB-CD1 4.31Å
301T93.8Very high90.6Very high15 Ų1526.2 Ų26.29%0.09215%0.149CC..EExtended strand (participates in β ladder)trans-134.3144.8174.2-175.10000112.4T266 I268 R303 M307T266-T301 PolarHBondContact N-O 3.31Å; T266-T301 PolarHBondContact O-N 2.85Å; I268-T301 HydrophobicContact CD1-CG2 4.16Å; I268-T301 HydrophobicContact CG1-CG2 3.81Å; T301-R303 PolarHBondContact OG1-N 3.02Å; T301-R303 VanDerWaalsContact OG1-N 3.08Å; T301-M307 HydrophobicContact CG2-CE 4.04Å; T301-M307 HydrophobicContact CG2-SD 4.12Å
302L91.2Very high92.2Very high52 Ų5217.6 Ų17.627%0.27211%0.111SC..SBendtrans-91.5-7.5170.5-68.4174.3000112.6Q263 E264 Y265 P304 Y476 K499Q263-L302 HydrophobicContact CG-CD2 4.41Å; E264-L302 WeakPolarHBondContact O-CD2 3.34Å; Y265-L302 HydrophobicContact CD1-CD2 3.73Å; Y265-L302 HydrophobicContact CD1-CG 3.82Å; Y265-L302 HydrophobicContact CD2-CD2 4.36Å; Y265-L302 HydrophobicContact CE1-CD1 4.04Å; Y265-L302 HydrophobicContact CE1-CD2 3.67Å; Y265-L302 HydrophobicContact CE1-CG 3.51Å; Y265-L302 HydrophobicContact CE2-CD2 4.29Å; Y265-L302 HydrophobicContact CG-CD2 4.08Å; L302-P304 VanDerWaalsContact C-CD 3.48Å; L302-P304 WeakPolarHBondContact O-CD 3.32Å; L302-Y476 WeakPolarHBondContact CB-OH 3.22Å; L302-K499 WeakPolarHBondContact O-CE 3.45Å; L302-K499 PolarHBondContact O-NZ 3.06Å
303R92.1Very high93.5Very high15 Ų1513.5 Ų13.56%0.0577%0.069CC..  trans-12471.1-175.8-69.8-171.668.7-168.14.3110.5T301 E305 T306 D403 Y476T301-R303 PolarHBondContact OG1-N 3.02Å; T301-R303 VanDerWaalsContact OG1-N 3.08Å; R303-E305 WeakPolarHBondContact CA-OE2 3.5Å; R303-E305 VanDerWaalsContact CB-OE1 3.3Å; R303-E305 WeakPolarHBondContact CB-OE1 3.49Å; R303-E305 WeakPolarHBondContact CG-OE1 3.4Å; R303-E305 IonicContact CZ-OE1 3.66Å; R303-E305 IonicContact NE-OE1 3.93Å; R303-E305 PolarHBondContact NE-OE1 3.43Å; R303-E305 IonicContact NH2-OE1 2.87Å; R303-E305 PolarHBondContact O-N 3.19Å; R303-T306 HydrophobicContact CB-CG2 3.86Å; R303-T306 VanDerWaalsContact CZ-CG2 3.47Å; R303-T306 PolarHBondContact O-N 2.77Å; R303-T306 VanDerWaalsContact O-N 3.11Å; R303-T306 PolarHBondContact O-OG1 3.37Å; R303-D403 PolarHBondContact NH1-O 2.89Å; R303-Y476 HydrophobicContact CG-CE2 3.83Å; R303-Y476 WeakPolarHBondContact CG-OH 3.39Å
304P93.9Very high94.2Very high1 Ų110.8 Ų10.81%0.0066%0.057CC..G310 helixtrans-58.7-27.617823.8-32.8000112.8T266 L302 T306 M307 K499 Q503 M506T266-P304 HydrophobicContact CG2-CB 4.16Å; L302-P304 VanDerWaalsContact C-CD 3.48Å; L302-P304 WeakPolarHBondContact O-CD 3.32Å; P304-T306 PolarHBondContact O-N 3.33Å; P304-M307 VanDerWaalsContact O-CG 3.27Å; P304-M307 WeakPolarHBondContact O-CG 3.46Å; P304-M307 PolarHBondContact O-N 3.4Å; P304-K499 HydrophobicContact CG-CG 3.93Å; P304-Q503 HydrophobicContact CB-CB 4.12Å; P304-Q503 HydrophobicContact CG-CB 3.89Å; P304-Q503 HydrophobicContact CG-CG 4.38Å; P304-M506 HydrophobicContact CB-CE 3.36Å
305E92.6Very high94.5Very high1 Ų17.6 Ų7.61%0.0054%0.04CC..G310 helixtrans-64.3-21.5177.474.8-7717800113.5R303 M307 F308 I440 M485 V495 K499 I502R303-E305 WeakPolarHBondContact CA-OE2 3.5Å; R303-E305 VanDerWaalsContact CB-OE1 3.3Å; R303-E305 WeakPolarHBondContact CB-OE1 3.49Å; R303-E305 WeakPolarHBondContact CG-OE1 3.4Å; R303-E305 IonicContact CZ-OE1 3.66Å; R303-E305 IonicContact NE-OE1 3.93Å; R303-E305 PolarHBondContact NE-OE1 3.43Å; R303-E305 IonicContact NH2-OE1 2.87Å; R303-E305 PolarHBondContact O-N 3.19Å; E305-M307 VanDerWaalsContact C-N 3.32Å; E305-F308 WeakPolarHBondContact O-CD2 3.45Å; E305-I440 HydrophobicContact CG-CD1 4.13Å; E305-M485 HydrophobicContact CB-CE 4.47Å; E305-M485 HydrophobicContact CB-SD 4.3Å; E305-M485 HydrophobicContact CG-SD 4.47Å; E305-V495 HydrophobicContact CG-CG1 3.83Å; E305-K499 WeakPolarHBondContact OE2-CG 3.16Å; E305-I502 HydrophobicContact CB-CD1 3.91Å
306T94.4Very high94.8Very high8 Ų810.3 Ų10.35%0.0495%0.05CC..G310 helixtrans-86.2-4.2-176.966.20000113.3R303 P304 F308 G309 V400 I439 I440R303-T306 HydrophobicContact CB-CG2 3.86Å; R303-T306 VanDerWaalsContact CZ-CG2 3.47Å; R303-T306 PolarHBondContact O-N 2.77Å; R303-T306 VanDerWaalsContact O-N 3.11Å; R303-T306 PolarHBondContact O-OG1 3.37Å; P304-T306 PolarHBondContact O-N 3.33Å; T306-F308 PolarHBondContact O-N 3.01Å; T306-F308 VanDerWaalsContact O-N 3.1Å; T306-G309 PolarHBondContact O-N 3.15Å; T306-V400 WeakPolarHBondContact O-CG1 3.32Å; T306-I439 HydrophobicContact CG2-CD1 4.25Å; T306-I439 VanDerWaalsContact O-CD1 3.24Å; T306-I439 WeakPolarHBondContact O-CD1 3.41Å; T306-I440 HydrophobicContact CG2-CD1 3.84Å
307M95.8Very high94.6Very high0 Ų09.5 Ų9.50%05%0.047CC..G310 helixtrans-66-16.6-172.7-64.6-58.598.100114.3I268 T301 P304 E305 G309 Q310 L374 T398 V400 M506I268-M307 HydrophobicContact CD1-CG 3.81Å; I268-M307 HydrophobicContact CD1-SD 3.97Å; I268-M307 HydrophobicContact CG1-CG 4.26Å; I268-M307 HydrophobicContact CG1-SD 3.71Å; T301-M307 HydrophobicContact CG2-CE 4.04Å; T301-M307 HydrophobicContact CG2-SD 4.12Å; P304-M307 VanDerWaalsContact O-CG 3.27Å; P304-M307 WeakPolarHBondContact O-CG 3.46Å; P304-M307 PolarHBondContact O-N 3.4Å; E305-M307 VanDerWaalsContact C-N 3.32Å; M307-G309 PolarHBondContact O-N 3.25Å; M307-Q310 WeakPolarHBondContact O-CG 3.48Å; M307-Q310 PolarHBondContact O-NE2 2.92Å; M307-Q310 HydrophobicContact SD-CG 4.2Å; M307-L374 HydrophobicContact CB-CB 4.35Å; M307-L374 HydrophobicContact CB-CD1 4.21Å; M307-T398 HydrophobicContact CE-CG2 4.4Å; M307-T398 HydrophobicContact SD-CG2 3.86Å; M307-V400 HydrophobicContact CE-CG2 3.88Å; M307-M506 HydrophobicContact CB-SD 4.43Å; M307-M506 HydrophobicContact CG-CE 4.48Å; M307-M506 HydrophobicContact CG-SD 4.35Å
308F94.4Very high94.5Very high26 Ų2613.8 Ų13.811%0.1147%0.07CC..G310 helixtrans-63.4-23.3171-62.2-79.4000113.2E305 T306 L374 I439 M485 V487 Y490 I502E305-F308 WeakPolarHBondContact O-CD2 3.45Å; T306-F308 PolarHBondContact O-N 3.01Å; T306-F308 VanDerWaalsContact O-N 3.1Å; F308-L374 HydrophobicContact CD1-CB 3.76Å; F308-L374 VanDerWaalsContact CD1-O 3.31Å; F308-L374 WeakPolarHBondContact CD1-O 3.22Å; F308-L374 HydrophobicContact CD2-CD1 4.49Å; F308-L374 HydrophobicContact CE1-CB 3.88Å; F308-L374 HydrophobicContact CE1-CD1 4.06Å; F308-L374 HydrophobicContact CE1-CD2 4.06Å; F308-L374 HydrophobicContact CE1-CG 4.23Å; F308-L374 HydrophobicContact CE2-CD1 4.02Å; F308-L374 HydrophobicContact CG-CB 4.25Å; F308-L374 HydrophobicContact CZ-CB 4.45Å; F308-L374 HydrophobicContact CZ-CD1 3.79Å; F308-L374 HydrophobicContact CZ-CD2 4.35Å; F308-L374 HydrophobicContact CZ-CG 4.44Å; F308-I439 HydrophobicContact CB-CG2 3.8Å; F308-M485 HydrophobicContact CD2-CE 4.22Å; F308-M485 HydrophobicContact CE2-CE 4.26Å; F308-V487 HydrophobicContact CB-CG2 3.86Å; F308-V487 HydrophobicContact CD1-CG1 3.66Å; F308-V487 HydrophobicContact CD1-CG2 4.4Å; F308-V487 HydrophobicContact CD2-CB 4.49Å; F308-V487 HydrophobicContact CD2-CG1 4.4Å; F308-V487 HydrophobicContact CD2-CG2 4.05Å; F308-V487 HydrophobicContact CE1-CG1 3.83Å; F308-V487 HydrophobicContact CG-CB 4.39Å; F308-V487 HydrophobicContact CG-CG1 3.97Å; F308-V487 HydrophobicContact CG-CG2 3.86Å; F308-V487 HydrophobicContact CZ-CG1 4.27Å; F308-Y490 HydrophobicContact CZ-CD2 4.45Å; F308-Y490 HydrophobicContact CZ-CE2 4.4Å; F308-I502 HydrophobicContact CE2-CD1 4.19Å; F308-I502 HydrophobicContact CE2-CG2 4.38Å
309G94.3Very high94.4Very high0 Ų013.9 Ų13.90%07%0.071CC..G310 helixtrans-101.519.6-175.300000114.8T306 M307 T311T306-G309 PolarHBondContact O-N 3.15Å; M307-G309 PolarHBondContact O-N 3.25Å; G309-T311 PolarHBondContact O-N 3.27Å
310Q96.2Very high94.2Very high0 Ų021.4 Ų21.40%010%0.103CC..  trans-70.1127.4-177.6-67.4172.791.500111.9M307 P373 T375 Y377 I380 S399 V400M307-Q310 WeakPolarHBondContact O-CG 3.48Å; M307-Q310 PolarHBondContact O-NE2 2.92Å; M307-Q310 HydrophobicContact SD-CG 4.2Å; Q310-P373 PolarHBondContact NE2-O 2.8Å; Q310-T375 HydrophobicContact CB-CG2 4.35Å; Q310-T375 PolarHBondContact O-OG1 3.01Å; Q310-Y377 WeakPolarHBondContact O-CD2 3.32Å; Q310-I380 HydrophobicContact CB-CD1 4.5Å; Q310-S399 VanDerWaalsContact CA-O 3.24Å; Q310-S399 WeakPolarHBondContact CA-O 3.45Å; Q310-V400 HydrophobicContact CG-CG2 3.99Å
311T95.9Very high94.2Very high0 Ų020.7 Ų20.70%010%0.097CC..  trans-103.6-31.8174.953.50000113.1G309 Y377 I380 S399 P401 F434 E435G309-T311 PolarHBondContact O-N 3.27Å; T311-Y377 HydrophobicContact CG2-CE2 4.1Å; T311-I380 WeakPolarHBondContact O-CB 3.38Å; T311-I380 WeakPolarHBondContact O-CG2 3.33Å; T311-S399 PolarHBondContact N-O 3.48Å; T311-S399 PolarHBondContact OG1-OG 3.21Å; T311-P401 HydrophobicContact CG2-CG 3.55Å; T311-P401 VanDerWaalsContact OG1-CD 3.28Å; T311-P401 WeakPolarHBondContact OG1-CD 3.23Å; T311-P401 WeakPolarHBondContact OG1-CG 3.26Å; T311-F434 HydrophobicContact CG2-CB 4.45Å; T311-F434 WeakPolarHBondContact O-CD1 3.49Å; T311-E435 WeakPolarHBondContact CG2-O 3.4Å
312N96.1Very high94.1Very high0 Ų020.1 Ų20.10%09%0.094CC..EExtended strand (participates in β ladder)trans-161.7178.9-175.164.8-83.3000111W314 Y381 L383 S399N312-W314 VanDerWaalsContact ND2-CD2 3.35Å; N312-W314 VanDerWaalsContact ND2-CE2 3.32Å; N312-W314 VanDerWaalsContact ND2-CH2 3.33Å; N312-W314 WeakPolarHBondContact ND2-CH2 3.49Å; N312-W314 VanDerWaalsContact ND2-CZ2 3.31Å; N312-W314 WeakPolarHBondContact ND2-CZ2 3.21Å; N312-W314 WeakPolarHBondContact ND2-CZ3 3.43Å; N312-Y381 WeakPolarHBondContact CB-O 3.11Å; N312-L383 HydrophobicContact CB-CD1 3.7Å; N312-L383 HydrophobicContact CB-CG 4Å; N312-S399 VanDerWaalsContact ND2-CB 3.27Å; N312-S399 WeakPolarHBondContact ND2-CB 3.48Å; N312-S399 PolarHBondContact ND2-OG 3.07Å; N312-S399 WeakPolarHBondContact O-CB 3.41Å; N312-S399 PolarHBondContact O-N 2.86Å; N312-S399 WeakPolarHBondContact OD1-CB 3.39Å; N312-S399 PolarHBondContact OD1-OG 3.11Å
313C96.6Very high94.2Very high0 Ų017.7 Ų17.70%08%0.081CC..EExtended strand (participates in β ladder)trans-115.6138.7172.4175.50000109M270 L370 Y381 A382 L383 V396M270-C313 HydrophobicContact CE-CB 4.11Å; M270-C313 WeakPolarHBondContact CE-SG 3.49Å; M270-C313 HydrophobicContact SD-CB 3.9Å; C313-L370 HydrophobicContact CB-CD1 3.38Å; C313-Y381 PolarHBondContact N-O 3.32Å; C313-A382 CarbonylContact O-C 3.59Å; C313-A382 WeakPolarHBondContact O-CA 3.45Å; C313-L383 PolarHBondContact O-N 2.84Å; C313-V396 WeakPolarHBondContact SG-CG1 3.43Å
314W96.6Very high94.2Very high0 Ų017 Ų170%08%0.078CC..EExtended strand (participates in β ladder)trans-99131175.5-59124.1000111.5N312 L383 M385 I388 V397 S399 D407 A410 L411N312-W314 VanDerWaalsContact ND2-CD2 3.35Å; N312-W314 VanDerWaalsContact ND2-CE2 3.32Å; N312-W314 VanDerWaalsContact ND2-CH2 3.33Å; N312-W314 WeakPolarHBondContact ND2-CH2 3.49Å; N312-W314 VanDerWaalsContact ND2-CZ2 3.31Å; N312-W314 WeakPolarHBondContact ND2-CZ2 3.21Å; N312-W314 WeakPolarHBondContact ND2-CZ3 3.43Å; W314-L383 WeakPolarHBondContact CA-O 3.41Å; W314-L383 HydrophobicContact CE3-CB 3.8Å; W314-L383 HydrophobicContact CH2-CB 4.49Å; W314-L383 HydrophobicContact CH2-CD1 4.45Å; W314-L383 HydrophobicContact CZ3-CB 3.53Å; W314-L383 HydrophobicContact CZ3-CD1 4.23Å; W314-M385 HydrophobicContact CB-CB 3.87Å; W314-M385 HydrophobicContact CB-SD 4.1Å; W314-M385 HydrophobicContact CD2-CB 4.02Å; W314-M385 HydrophobicContact CD2-SD 4.29Å; W314-M385 HydrophobicContact CE3-CB 3.86Å; W314-M385 HydrophobicContact CG-CB 4.06Å; W314-M385 HydrophobicContact CG-SD 3.88Å; W314-I388 HydrophobicContact CB-CD1 3.92Å; W314-V397 HydrophobicContact CB-CB 4.16Å; W314-V397 PolarHBondContact N-O 2.94Å; W314-V397 PolarHBondContact O-N 3.38Å; W314-S399 VanDerWaalsContact CZ2-OG 3.27Å; W314-S399 WeakPolarHBondContact CZ2-OG 3.44Å; W314-S399 PolarHBondContact NE1-OG 3.5Å; W314-D407 PolarHBondContact NE1-OD1 3.39Å; W314-A410 HydrophobicContact CH2-CB 3.69Å; W314-A410 HydrophobicContact CZ2-CB 3.67Å; W314-A410 HydrophobicContact CZ3-CB 4.18Å; W314-L411 HydrophobicContact CH2-CB 4.28Å; W314-L411 HydrophobicContact CZ2-CB 4.32Å
315V95.1Very high94.1Very high0 Ų020 Ų200%09%0.092CC..EExtended strand (participates in β ladder)trans-133.8140.9170-63.90000109.2I365 L366 A382 L383 P384 M385 V396V315-I365 HydrophobicContact CG1-CG2 4.35Å; V315-I365 HydrophobicContact CG2-CB 4.48Å; V315-L366 HydrophobicContact CG2-CD2 3.36Å; V315-L366 HydrophobicContact CG2-CG 4.26Å; V315-A382 HydrophobicContact CG2-CB 4.43Å; V315-L383 PolarHBondContact N-O 3.27Å; V315-P384 WeakPolarHBondContact O-CA 3.4Å; V315-M385 PolarHBondContact O-N 3.02Å; V315-M385 VanDerWaalsContact O-N 3.1Å; V315-V396 HydrophobicContact CG1-CG1 4.24Å; V315-V396 HydrophobicContact CG1-CG2 4.4Å
316R95.2Very high94.1Very high59 Ų5920.3 Ų20.322%0.2239%0.094CC..  trans-82.8122.5176.7178.5168.1174.8-169.4-7.5110.8D318 M319 Y321 G362 M385 I388R316-D318 WeakPolarHBondContact CG-OD1 3.39Å; R316-D318 IonicContact CZ-OD1 3.86Å; R316-D318 IonicContact CZ-OD2 2.76Å; R316-D318 IonicContact NE-OD1 3.08Å; R316-D318 PolarHBondContact NE-OD1 3.48Å; R316-D318 IonicContact NE-OD2 3.79Å; R316-D318 PolarHBondContact NE-OD2 3.29Å; R316-D318 IonicContact NH2-OD1 2.85Å; R316-D318 IonicContact NH2-OD2 3.23Å; R316-D318 PolarHBondContact NH2-OD2 3.03Å; R316-D318 PolarHBondContact O-N 3.14Å; R316-M319 HydrophobicContact CB-CB 3.96Å; R316-M319 HydrophobicContact CB-CE 4.04Å; R316-M319 HydrophobicContact CG-CB 4.07Å; R316-M319 PolarHBondContact O-N 3.14Å; R316-Y321 PolarHBondContact N-OH 2.73Å; R316-G362 WeakPolarHBondContact O-CA 3.28Å; R316-M385 WeakPolarHBondContact CA-O 3.49Å; R316-I388 HydrophobicContact CB-CB 4.11Å; R316-I388 HydrophobicContact CB-CD1 4.19Å; R316-I388 PolarHBondContact NH1-O 3.3Å
317P91.6Very high93.9Very high6 Ų622.9 Ų22.94%0.03912%0.117CC..THydrogen-bonded Turntrans-63.4-34.2-170.5-24.834.7000115.2L361 G362 Q363 L366 P384 L386 Y424P317-L361 WeakPolarHBondContact O-CG 3.33Å; P317-G362 PolarHBondContact O-N 2.7Å; P317-Q363 HydrophobicContact CB-CB 4.32Å; P317-Q363 PolarHBondContact O-N 3.16Å; P317-L366 HydrophobicContact CB-CD1 4.22Å; P317-L366 HydrophobicContact CG-CD1 4.09Å; P317-P384 HydrophobicContact CG-CB 3.62Å; P317-L386 HydrophobicContact CG-CD2 4.28Å; P317-Y424 HydrophobicContact CB-CD1 4.15Å; P317-Y424 HydrophobicContact CB-CE1 3.74Å; P317-Y424 HydrophobicContact CG-CD1 4.09Å; P317-Y424 HydrophobicContact CG-CE1 3.7Å
318D92.6Very high93.5Very high90 Ų9028 Ų2848%0.48114%0.144SC..THydrogen-bonded Turntrans-90.6-5.5-176.957-44.1000113.8R316R316-D318 WeakPolarHBondContact CG-OD1 3.39Å; R316-D318 IonicContact CZ-OD1 3.86Å; R316-D318 IonicContact CZ-OD2 2.76Å; R316-D318 IonicContact NE-OD1 3.08Å; R316-D318 PolarHBondContact NE-OD1 3.48Å; R316-D318 IonicContact NE-OD2 3.79Å; R316-D318 PolarHBondContact NE-OD2 3.29Å; R316-D318 IonicContact NH2-OD1 2.85Å; R316-D318 IonicContact NH2-OD2 3.23Å; R316-D318 PolarHBondContact NH2-OD2 3.03Å; R316-D318 PolarHBondContact O-N 3.14Å
319M92.7Very high93.1Very high3 Ų327.9 Ų27.92%0.01515%0.15CC..SBendtrans-82.6142.9-179-174.2163.458.200111.5R316 Y321 T335 G362 I388 E390 G395R316-M319 HydrophobicContact CB-CB 3.96Å; R316-M319 HydrophobicContact CB-CE 4.04Å; R316-M319 HydrophobicContact CG-CB 4.07Å; R316-M319 PolarHBondContact O-N 3.14Å; M319-Y321 HydrophobicContact CB-CE2 3.93Å; M319-Y321 HydrophobicContact CE-CE1 3.69Å; M319-Y321 HydrophobicContact CE-CE2 4.11Å; M319-Y321 WeakPolarHBondContact CE-OH 3.36Å; M319-Y321 HydrophobicContact CG-CE2 4.27Å; M319-Y321 VanDerWaalsContact O-CD2 3.25Å; M319-Y321 WeakPolarHBondContact O-CD2 3.48Å; M319-Y321 WeakPolarHBondContact O-CE2 3.39Å; M319-T335 HydrophobicContact CE-CG2 4.15Å; M319-T335 HydrophobicContact CG-CG2 4.42Å; M319-T335 HydrophobicContact SD-CG2 3.79Å; M319-G362 PolarHBondContact O-N 2.9Å; M319-I388 HydrophobicContact CE-CG2 4.18Å; M319-E390 HydrophobicContact CG-CG 4.33Å; M319-E390 HydrophobicContact SD-CB 4.01Å; M319-E390 HydrophobicContact SD-CG 3.58Å; M319-E390 VanDerWaalsContact SD-CG 3.58Å; M319-G395 WeakPolarHBondContact CE-O 3.48Å
320K93.3Very high92.9Very high157 Ų15728.8 Ų28.868%0.68315%0.154SC*.EExtended strand (participates in β ladder)trans-86124.6175.5-64.5-178.5-178.5-179.90110.8L361K320-L361 HydrophobicContact CG-CD1 4.43Å
321Y93.6Very high92.7Very high1 Ų128.8 Ų28.80%0.00415%0.154CC..EExtended strand (participates in β ladder)trans-110.9159.2173.9-59.6-97.7000110.1R316 M319 S334 E359 I360 I365 G395 V396R316-Y321 PolarHBondContact N-OH 2.73Å; M319-Y321 HydrophobicContact CB-CE2 3.93Å; M319-Y321 HydrophobicContact CE-CE1 3.69Å; M319-Y321 HydrophobicContact CE-CE2 4.11Å; M319-Y321 WeakPolarHBondContact CE-OH 3.36Å; M319-Y321 HydrophobicContact CG-CE2 4.27Å; M319-Y321 VanDerWaalsContact O-CD2 3.25Å; M319-Y321 WeakPolarHBondContact O-CD2 3.48Å; M319-Y321 WeakPolarHBondContact O-CE2 3.39Å; Y321-S334 CarbonylContact C-O 3.59Å; Y321-S334 WeakPolarHBondContact CA-O 3.37Å; Y321-E359 WeakPolarHBondContact O-CA 3.36Å; Y321-I360 WeakPolarHBondContact CA-O 3.47Å; Y321-I360 PolarHBondContact N-O 3.4Å; Y321-I360 PolarHBondContact O-N 3.39Å; Y321-I365 HydrophobicContact CD1-CD1 4.46Å; Y321-I365 HydrophobicContact CD2-CD1 3.92Å; Y321-I365 HydrophobicContact CE2-CD1 4.37Å; Y321-I365 HydrophobicContact CG-CD1 3.97Å; Y321-G395 PolarHBondContact OH-O 3.11Å; Y321-G395 VanDerWaalsContact OH-O 3.13Å; Y321-V396 HydrophobicContact CD1-CG2 4.25Å; Y321-V396 HydrophobicContact CE1-CG2 3.78Å
322V93.1Very high92.7Very high4 Ų429 Ų292%0.02416%0.155CC..EExtended strand (participates in β ladder)trans-122.2136.4174.3-61.80000108.9F324 I333 S334 R336 A339 V356 E359V322-F324 HydrophobicContact CG2-CD1 4.31Å; V322-I333 WeakPolarHBondContact O-CA 3.39Å; V322-S334 WeakPolarHBondContact CG2-O 3.47Å; V322-S334 PolarHBondContact N-O 2.94Å; V322-S334 PolarHBondContact O-N 2.87Å; V322-S334 VanDerWaalsContact O-N 3.15Å; V322-R336 HydrophobicContact CG1-CB 4.06Å; V322-R336 HydrophobicContact CG1-CG 4.33Å; V322-A339 HydrophobicContact CG2-CB 3.85Å; V322-V356 HydrophobicContact CB-CG1 4.3Å; V322-V356 HydrophobicContact CG1-CG1 4.46Å; V322-E359 HydrophobicContact CG1-CG 4.33Å
323A91.4Very high92.6Very high0 Ų029 Ų290%016%0.156CC..EExtended strand (participates in β ladder)trans-98.2121.6166.400000108.3M290 V331 F332 I333 I357 M358 I360M290-A323 HydrophobicContact CE-CB 3.3Å; A323-V331 HydrophobicContact CB-CG1 4.02Å; A323-F332 VanDerWaalsContact CA-O 3.32Å; A323-F332 WeakPolarHBondContact CA-O 3.43Å; A323-I333 HydrophobicContact CB-CG1 4.02Å; A323-I357 PolarHBondContact O-N 3.12Å; A323-M358 HydrophobicContact CB-CG 3.86Å; A323-M358 PolarHBondContact N-O 3.28Å; A323-M358 PolarHBondContact O-N 2.64Å; A323-I360 HydrophobicContact CB-CD1 3.99Å
324F92.8Very high92.5Very high0 Ų029 Ų290%016%0.156CC..EExtended strand (participates in β ladder)trans-132.9151.4-176.370.1-82.1000111.6V322 T326 V331 F332 A339 M342 T348 V354 P355V322-F324 HydrophobicContact CG2-CD1 4.31Å; F324-T326 HydrophobicContact CE2-CG2 4.02Å; F324-V331 WeakPolarHBondContact O-CA 3.44Å; F324-F332 HydrophobicContact CD1-CB 4.24Å; F324-F332 WeakPolarHBondContact CD1-O 3.49Å; F324-F332 HydrophobicContact CE1-CB 3.61Å; F324-F332 HydrophobicContact CE2-CB 4.25Å; F324-F332 HydrophobicContact CZ-CB 3.63Å; F324-F332 HydrophobicContact CZ-CD2 4.13Å; F324-F332 HydrophobicContact CZ-CG 4.37Å; F324-F332 PolarHBondContact N-O 2.75Å; F324-F332 PolarHBondContact O-N 2.63Å; F324-A339 HydrophobicContact CD1-CB 3.7Å; F324-A339 HydrophobicContact CE1-CB 3.56Å; F324-A339 HydrophobicContact CG-CB 4.29Å; F324-A339 HydrophobicContact CZ-CB 4.04Å; F324-M342 HydrophobicContact CZ-SD 3.84Å; F324-T348 HydrophobicContact CD2-CG2 4.13Å; F324-T348 HydrophobicContact CE2-CG2 4.15Å; F324-V354 HydrophobicContact CB-CG1 3.77Å; F324-V354 HydrophobicContact CD2-CG1 4.23Å; F324-V354 HydrophobicContact CG-CG1 3.96Å; F324-P355 WeakPolarHBondContact CA-O 3.32Å; F324-P355 WeakPolarHBondContact CB-O 3.41Å
325E92Very high92.4Very high64 Ų6429.4 Ų29.430%0.29916%0.158SC..EExtended strand (participates in β ladder)trans-82.1133.6177.9-175.6161.4-155.300111.4K293 P355 I357K293-E325 IonicContact NZ-OE1 2.83Å; K293-E325 PolarHBondContact NZ-OE1 2.87Å; K293-E325 IonicContact NZ-OE2 2.67Å; K293-E325 PolarHBondContact NZ-OE2 3.46Å; K293-E325 VanDerWaalsContact NZ-OE2 3.08Å; E325-P355 HydrophobicContact CB-CB 4.49Å; E325-P355 HydrophobicContact CB-CG 3.98Å; E325-P355 PolarHBondContact N-O 3.26Å; E325-P355 VanDerWaalsContact N-O 3.16Å; E325-P355 WeakPolarHBondContact O-CG 3.35Å; E325-I357 HydrophobicContact CB-CD1 4.25Å
326T93.4Very high92.3Very high8 Ų836.6 Ų36.65%0.04919%0.185CC..  trans-94.9169.717759.90000111.1F324 N328 G329 D330 F332 F347F324-T326 HydrophobicContact CE2-CG2 4.02Å; T326-N328 PolarHBondContact O-N 3.47Å; T326-N328 VanDerWaalsContact O-N 3.17Å; T326-N328 PolarHBondContact OG1-OD1 3.39Å; T326-G329 PolarHBondContact O-N 3.45Å; T326-D330 PolarHBondContact N-O 3.37Å; T326-D330 PolarHBondContact OG1-N 2.77Å; T326-D330 PolarHBondContact OG1-O 3.3Å; T326-F332 HydrophobicContact CG2-CB 4.04Å; T326-F332 HydrophobicContact CG2-CD1 3.82Å; T326-F332 HydrophobicContact CG2-CD2 3.52Å; T326-F332 HydrophobicContact CG2-CE1 4.12Å; T326-F332 HydrophobicContact CG2-CE2 3.85Å; T326-F332 HydrophobicContact CG2-CG 3.51Å; T326-F332 HydrophobicContact CG2-CZ 4.14Å; T326-F347 CarbonylContact C-O 3.49Å; T326-F347 VanDerWaalsContact CA-O 3.28Å; T326-F347 WeakPolarHBondContact CA-O 3.32Å; T326-F347 WeakPolarHBondContact CB-O 3.49Å
327A90Very high92.2Very high63 Ų6336.4 Ų36.452%0.52118%0.184SC..THydrogen-bonded Turntrans-60.1-27-175.900000114.1F347A327-F347 PolarHBondContact N-O 3.43Å
328N87.4Confident92.3Very high108 Ų10836.1 Ų36.158%0.57818%0.183SC*.THydrogen-bonded Turntrans-91.43.3177.773.2-13.7000113.4T326 D330T326-N328 PolarHBondContact O-N 3.47Å; T326-N328 VanDerWaalsContact O-N 3.17Å; T326-N328 PolarHBondContact OG1-OD1 3.39Å; N328-D330 PolarHBondContact ND2-OD2 2.94Å; N328-D330 WeakPolarHBondContact OD1-CB 3.47Å; N328-D330 PolarHBondContact OD1-N 3.09Å; N328-D330 PolarHBondContact OD1-OD2 2.76Å
329G85.2Confident92.3Very high22 Ų2231.9 Ų31.923%0.22716%0.16CC..SBendtrans851.2-178.600000115.2K293 T326K293-G329 WeakPolarHBondContact CD-O 3.36Å; T326-G329 PolarHBondContact O-N 3.45Å
330D90.8Very high92.4Very high19 Ų1935.3 Ų35.310%0.10217%0.173CC..  trans-73.3155.8171.4-69.8-31.3000110.9K269 N294 F296 T326 N328 F332K269-D330 IonicContact NZ-OD2 3.76Å; N294-D330 WeakPolarHBondContact CB-OD1 3.45Å; N294-D330 PolarHBondContact ND2-OD1 2.99Å; F296-D330 HydrophobicContact CD2-CB 4.1Å; F296-D330 HydrophobicContact CE2-CB 4Å; T326-D330 PolarHBondContact N-O 3.37Å; T326-D330 PolarHBondContact OG1-N 2.77Å; T326-D330 PolarHBondContact OG1-O 3.3Å; N328-D330 PolarHBondContact ND2-OD2 2.94Å; N328-D330 WeakPolarHBondContact OD1-CB 3.47Å; N328-D330 PolarHBondContact OD1-N 3.09Å; N328-D330 PolarHBondContact OD1-OD2 2.76Å; D330-F332 HydrophobicContact CB-CE1 4.35Å
331V91.5Very high92.4Very high0 Ų028 Ų280%014%0.141CC..EExtended strand (participates in β ladder)trans-104.8119.8177.3179.40000110M290 K293 N294 I295 F296 A323 F324 I357M290-V331 HydrophobicContact CE-CG1 3.99Å; K293-V331 HydrophobicContact CB-CG2 4.03Å; K293-V331 HydrophobicContact CD-CG2 3.89Å; N294-V331 PolarHBondContact O-N 3.35Å; I295-V331 WeakPolarHBondContact CA-O 3.37Å; I295-V331 HydrophobicContact CG1-CB 4.36Å; F296-V331 PolarHBondContact N-O 2.63Å; A323-V331 HydrophobicContact CB-CG1 4.02Å; F324-V331 WeakPolarHBondContact O-CA 3.44Å; V331-I357 HydrophobicContact CG1-CD1 4.13Å; V331-I357 HydrophobicContact CG2-CD1 3.7Å
332F95.3Very high92.5Very high4 Ų428 Ų282%0.01814%0.141CC..EExtended strand (participates in β ladder)trans-101.7140.7174.6-776.8000110.8L267 K269 F296 V298 A323 F324 T326 D330 M342 F347 L513L267-F332 HydrophobicContact CD2-CE2 4.41Å; K269-F332 HydrophobicContact CD-CE1 4.44Å; K269-F332 HydrophobicContact CD-CZ 4.09Å; K269-F332 HydrophobicContact CG-CE1 4.46Å; K269-F332 HydrophobicContact CG-CZ 4.2Å; F296-F332 HydrophobicContact CB-CD1 3.92Å; F296-F332 HydrophobicContact CB-CE1 4.05Å; F296-F332 HydrophobicContact CD2-CD1 4.23Å; F296-F332 AromaticContact CD2-CE1 3.93Å; F296-F332 HydrophobicContact CD2-CE1 3.93Å; F296-F332 HydrophobicContact CG-CD1 4.49Å; F296-F332 HydrophobicContact CG-CE1 4.26Å; V298-F332 HydrophobicContact CB-CD2 4.48Å; V298-F332 HydrophobicContact CG1-CB 4.2Å; V298-F332 HydrophobicContact CG1-CD1 3.8Å; V298-F332 HydrophobicContact CG1-CD2 3.6Å; V298-F332 HydrophobicContact CG1-CE1 4.02Å; V298-F332 HydrophobicContact CG1-CE2 3.82Å; V298-F332 HydrophobicContact CG1-CG 3.59Å; V298-F332 HydrophobicContact CG1-CZ 4.02Å; V298-F332 HydrophobicContact CG2-CB 4.2Å; V298-F332 HydrophobicContact CG2-CD2 4.25Å; V298-F332 HydrophobicContact CG2-CG 4.36Å; A323-F332 VanDerWaalsContact CA-O 3.32Å; A323-F332 WeakPolarHBondContact CA-O 3.43Å; F324-F332 HydrophobicContact CD1-CB 4.24Å; F324-F332 WeakPolarHBondContact CD1-O 3.49Å; F324-F332 HydrophobicContact CE1-CB 3.61Å; F324-F332 HydrophobicContact CE2-CB 4.25Å; F324-F332 HydrophobicContact CZ-CB 3.63Å; F324-F332 HydrophobicContact CZ-CD2 4.13Å; F324-F332 HydrophobicContact CZ-CG 4.37Å; F324-F332 PolarHBondContact N-O 2.75Å; F324-F332 PolarHBondContact O-N 2.63Å; T326-F332 HydrophobicContact CG2-CB 4.04Å; T326-F332 HydrophobicContact CG2-CD1 3.82Å; T326-F332 HydrophobicContact CG2-CD2 3.52Å; T326-F332 HydrophobicContact CG2-CE1 4.12Å; T326-F332 HydrophobicContact CG2-CE2 3.85Å; T326-F332 HydrophobicContact CG2-CG 3.51Å; T326-F332 HydrophobicContact CG2-CZ 4.14Å; D330-F332 HydrophobicContact CB-CE1 4.35Å; F332-M342 HydrophobicContact CD2-SD 4.36Å; F332-F347 HydrophobicContact CD2-CD1 4.5Å; F332-F347 AromaticContact CE2-CD1 3.97Å; F332-F347 HydrophobicContact CE2-CD1 3.97Å; F332-F347 HydrophobicContact CE2-CE1 4.26Å; F332-L513 HydrophobicContact CE2-CD1 3.94Å; F332-L513 HydrophobicContact CZ-CD1 3.84Å
333I94.1Very high92.5Very high1 Ų127.8 Ų27.81%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-114.5117.9174.3-58.5176.1000109F280 I295 F296 L297 V298 V322 A323 I360 I365F280-I333 HydrophobicContact CE2-CD1 4.08Å; F280-I333 HydrophobicContact CZ-CD1 3.96Å; I295-I333 HydrophobicContact CG2-CD1 3.62Å; I295-I333 HydrophobicContact CG2-CG1 4.18Å; F296-I333 PolarHBondContact O-N 3.33Å; L297-I333 HydrophobicContact CD2-CB 3.73Å; L297-I333 HydrophobicContact CD2-CD1 3.98Å; L297-I333 HydrophobicContact CD2-CG1 4.38Å; L297-I333 HydrophobicContact CD2-CG2 3.84Å; V298-I333 PolarHBondContact N-O 2.8Å; V322-I333 WeakPolarHBondContact O-CA 3.39Å; A323-I333 HydrophobicContact CB-CG1 4.02Å; I333-I360 HydrophobicContact CD1-CD1 4.21Å; I333-I365 HydrophobicContact CG2-CD1 3.86Å
334S95.1Very high92.6Very high0 Ų028.7 Ų28.70%014%0.144CC..EExtended strand (participates in β ladder)trans-155.6-176.8178.9750000111.2Y321 V322 S338Y321-S334 CarbonylContact C-O 3.59Å; Y321-S334 WeakPolarHBondContact CA-O 3.37Å; V322-S334 WeakPolarHBondContact CG2-O 3.47Å; V322-S334 PolarHBondContact N-O 2.94Å; V322-S334 PolarHBondContact O-N 2.87Å; V322-S334 VanDerWaalsContact O-N 3.15Å; S334-S338 WeakPolarHBondContact CB-OG 3.19Å; S334-S338 PolarHBondContact OG-OG 3.27Å
335T95Very high92.6Very high8 Ų829.1 Ų29.15%0.04915%0.146CC..  trans-68.7155.9169.356.60000112.2M319 R337 S338 A339 T394M319-T335 HydrophobicContact CE-CG2 4.15Å; M319-T335 HydrophobicContact CG-CG2 4.42Å; M319-T335 HydrophobicContact SD-CG2 3.79Å; T335-R337 VanDerWaalsContact C-N 3.26Å; T335-R337 PolarHBondContact O-N 3.2Å; T335-S338 PolarHBondContact N-OG 3.5Å; T335-S338 PolarHBondContact O-N 3.32Å; T335-S338 PolarHBondContact O-OG 3.02Å; T335-S338 WeakPolarHBondContact OG1-CB 3.42Å; T335-S338 PolarHBondContact OG1-N 2.99Å; T335-S338 PolarHBondContact OG1-OG 3.3Å; T335-A339 PolarHBondContact O-N 3.05Å; T335-T394 WeakPolarHBondContact CG2-O 3.26Å; T335-T394 PolarHBondContact N-O 3.15Å
336R92.8Very high92.5Very high152 Ų15228.6 Ų28.657%0.57416%0.157SC*.Hα-helixtrans-59.3-37.5176.9-164.3173.9-156.6140.88.9112.8V322 A339 R340 E359V322-R336 HydrophobicContact CG1-CB 4.06Å; V322-R336 HydrophobicContact CG1-CG 4.33Å; R336-A339 PolarHBondContact O-N 3.2Å; R336-R340 WeakPolarHBondContact O-CB 3.4Å; R336-R340 PolarHBondContact O-N 3.28Å; R336-E359 IonicContact CZ-OE1 3.72Å; R336-E359 IonicContact NH1-OE1 2.83Å; R336-E359 PolarHBondContact NH1-OE1 3.04Å
337R92Very high92.5Very high55 Ų5529.3 Ų29.321%0.20816%0.16CC..Hα-helixtrans-62.6-48.2177.1179.5175.1174.4-93.7-1.8111.8T335 R340 N341 D391 E517 E529T335-R337 VanDerWaalsContact C-N 3.26Å; T335-R337 PolarHBondContact O-N 3.2Å; R337-R340 WeakPolarHBondContact O-CB 3.21Å; R337-R340 PolarHBondContact O-N 3.45Å; R337-N341 PolarHBondContact O-N 2.79Å; R337-D391 VanDerWaalsContact CZ-O 3.31Å; R337-D391 PolarHBondContact NH1-O 2.98Å; R337-D391 PolarHBondContact NH2-O 3.28Å; R337-E517 IonicContact CZ-OE1 2.65Å; R337-E517 IonicContact NH1-OE1 2.65Å; R337-E517 PolarHBondContact NH1-OE1 3.26Å; R337-E517 IonicContact NH2-OE1 3.27Å; R337-E517 PolarHBondContact NH2-OE1 3.3Å; R337-E529 IonicContact CZ-OE1 3.45Å; R337-E529 IonicContact NE-OE1 2.69Å; R337-E529 PolarHBondContact NE-OE1 3.31Å; R337-E529 IonicContact NH2-OE1 2.72Å
338S93.8Very high92.6Very high0 Ų026.7 Ų26.70%014%0.137CC..Hα-helixtrans-67.3-38.1177.958.10000112.3S334 T335 R340 N341 M342S334-S338 WeakPolarHBondContact CB-OG 3.19Å; S334-S338 PolarHBondContact OG-OG 3.27Å; T335-S338 PolarHBondContact N-OG 3.5Å; T335-S338 PolarHBondContact O-N 3.32Å; T335-S338 PolarHBondContact O-OG 3.02Å; T335-S338 WeakPolarHBondContact OG1-CB 3.42Å; T335-S338 PolarHBondContact OG1-N 2.99Å; T335-S338 PolarHBondContact OG1-OG 3.3Å; S338-R340 PolarHBondContact O-N 2.94Å; S338-N341 PolarHBondContact O-N 3.14Å; S338-N341 VanDerWaalsContact O-N 3.16Å; S338-M342 WeakPolarHBondContact O-CB 3.44Å; S338-M342 VanDerWaalsContact O-CG 3.29Å; S338-M342 WeakPolarHBondContact O-CG 3.47Å; S338-M342 PolarHBondContact O-N 3.25Å
339A94.1Very high92.8Very high0 Ų030.2 Ų30.20%015%0.148CC..Hα-helixtrans-62.3-41.2173.900000112.2V322 F324 T335 R336 N341 M342 S343 V354V322-A339 HydrophobicContact CG2-CB 3.85Å; F324-A339 HydrophobicContact CD1-CB 3.7Å; F324-A339 HydrophobicContact CE1-CB 3.56Å; F324-A339 HydrophobicContact CG-CB 4.29Å; F324-A339 HydrophobicContact CZ-CB 4.04Å; T335-A339 PolarHBondContact O-N 3.05Å; R336-A339 PolarHBondContact O-N 3.2Å; A339-N341 VanDerWaalsContact C-N 3.34Å; A339-M342 PolarHBondContact O-N 2.99Å; A339-S343 PolarHBondContact O-N 2.92Å; A339-V354 HydrophobicContact CB-CG1 3.85Å; A339-V354 HydrophobicContact CB-CG2 4.45Å
340R93.6Very high93Very high76 Ų7635 Ų3529%0.28716%0.164SC..Hα-helixtrans-60.3-43.7171.7-172.8-173.3-173.5-150.64.5111R336 R337 S338 S343 F344 D528 E529 V531R336-R340 WeakPolarHBondContact O-CB 3.4Å; R336-R340 PolarHBondContact O-N 3.28Å; R337-R340 WeakPolarHBondContact O-CB 3.21Å; R337-R340 PolarHBondContact O-N 3.45Å; S338-R340 PolarHBondContact O-N 2.94Å; R340-S343 PolarHBondContact O-N 2.8Å; R340-S343 PolarHBondContact O-OG 3.22Å; R340-F344 HydrophobicContact CG-CE2 4.41Å; R340-F344 VanDerWaalsContact O-CD2 3.29Å; R340-F344 WeakPolarHBondContact O-CD2 3.38Å; R340-D528 IonicContact CZ-OD1 3.43Å; R340-D528 IonicContact NH1-OD1 3.07Å; R340-D528 PolarHBondContact NH1-OD1 2.93Å; R340-D528 IonicContact NH2-OD1 3.42Å; R340-D528 PolarHBondContact NH2-OD1 2.93Å; R340-D528 IonicContact NH2-OD2 3.62Å; R340-D528 PolarHBondContact NH2-OD2 2.91Å; R340-E529 PolarHBondContact NH1-O 2.88Å; R340-E529 VanDerWaalsContact NH1-O 3.07Å; R340-V531 HydrophobicContact CG-CG1 4.39Å
341N93.4Very high92.9Very high4 Ų439 Ų392%0.02119%0.185CC..Hα-helixtrans-66.5-41.7179.3-165.710.3000111.7R337 S338 A339 S343 F344 Q345 Y515 M516 E517 V531 V532R337-N341 PolarHBondContact O-N 2.79Å; S338-N341 PolarHBondContact O-N 3.14Å; S338-N341 VanDerWaalsContact O-N 3.16Å; A339-N341 VanDerWaalsContact C-N 3.34Å; N341-S343 VanDerWaalsContact C-N 3.34Å; N341-S343 PolarHBondContact O-N 2.65Å; N341-F344 PolarHBondContact O-N 3.49Å; N341-Q345 WeakPolarHBondContact O-CG 3.44Å; N341-Q345 PolarHBondContact O-NE2 2.88Å; N341-Q345 PolarHBondContact OD1-NE2 3.48Å; N341-Y515 HydrophobicContact CB-CE2 4Å; N341-Y515 PolarHBondContact ND2-OH 2.86Å; N341-M516 PolarHBondContact ND2-O 2.77Å; N341-M516 PolarHBondContact OD1-O 2.95Å; N341-E517 WeakPolarHBondContact ND2-CA 3.44Å; N341-V531 HydrophobicContact CB-CB 4.38Å; N341-V531 HydrophobicContact CB-CG1 4.4Å; N341-V532 PolarHBondContact OD1-N 2.91Å; N341-V532 PolarHBondContact OD1-O 3.18Å; N341-V532 VanDerWaalsContact OD1-O 3.08Å
342M94.8Very high92.8Very high0 Ų040.1 Ų40.10%020%0.197CC..Hα-helixtrans-61.5-37.1174.5-73.1179.9-162.400112.9L267 V298 F324 F332 S338 A339 F344 Q345 F347 T394 Y515L267-M342 HydrophobicContact CD1-CE 3.72Å; L267-M342 HydrophobicContact CD2-CE 3.48Å; L267-M342 VanDerWaalsContact CD2-CE 3.48Å; L267-M342 HydrophobicContact CD2-SD 4.08Å; L267-M342 HydrophobicContact CG-CE 4.26Å; V298-M342 HydrophobicContact CG2-CE 4.12Å; F324-M342 HydrophobicContact CZ-SD 3.84Å; F332-M342 HydrophobicContact CD2-SD 4.36Å; S338-M342 WeakPolarHBondContact O-CB 3.44Å; S338-M342 VanDerWaalsContact O-CG 3.29Å; S338-M342 WeakPolarHBondContact O-CG 3.47Å; S338-M342 PolarHBondContact O-N 3.25Å; A339-M342 PolarHBondContact O-N 2.99Å; M342-F344 PolarHBondContact O-N 3.04Å; M342-Q345 PolarHBondContact O-N 3.21Å; M342-F347 HydrophobicContact CB-CB 3.84Å; M342-F347 HydrophobicContact CB-CD1 4.18Å; M342-F347 HydrophobicContact CB-CD2 4.2Å; M342-F347 HydrophobicContact CB-CG 3.82Å; M342-F347 HydrophobicContact CG-CD1 4.09Å; M342-F347 HydrophobicContact CG-CD2 4.48Å; M342-F347 HydrophobicContact CG-CE1 4.35Å; M342-F347 HydrophobicContact CG-CG 4.17Å; M342-F347 WeakPolarHBondContact O-CB 3.3Å; M342-F347 WeakPolarHBondContact O-CD2 3.49Å; M342-F347 PolarHBondContact O-N 3.41Å; M342-F347 HydrophobicContact SD-CD1 4.05Å; M342-F347 HydrophobicContact SD-CE1 4.32Å; M342-T394 HydrophobicContact CE-CG2 3.59Å; M342-Y515 HydrophobicContact CE-CD2 4.06Å; M342-Y515 HydrophobicContact CE-CE2 4.23Å; M342-Y515 HydrophobicContact CE-CG 4.4Å; M342-Y515 HydrophobicContact CG-CD2 3.8Å; M342-Y515 HydrophobicContact CG-CE2 3.91Å
343S94.5Very high92.6Very high0 Ų043.5 Ų43.50%022%0.217CC..Hα-helixtrans-65.1-24.7-179.770.20000113.4A339 R340 N341 Q345 T348 N351 G352A339-S343 PolarHBondContact O-N 2.92Å; R340-S343 PolarHBondContact O-N 2.8Å; R340-S343 PolarHBondContact O-OG 3.22Å; N341-S343 VanDerWaalsContact C-N 3.34Å; N341-S343 PolarHBondContact O-N 2.65Å; S343-Q345 VanDerWaalsContact C-N 3.33Å; S343-T348 VanDerWaalsContact CA-OG1 3.25Å; S343-T348 WeakPolarHBondContact CA-OG1 3.43Å; S343-T348 VanDerWaalsContact CB-OG1 3.22Å; S343-T348 WeakPolarHBondContact CB-OG1 3.4Å; S343-T348 PolarHBondContact O-OG1 3.14Å; S343-N351 WeakPolarHBondContact O-CA 3.37Å; S343-N351 PolarHBondContact O-OD1 3.11Å; S343-N351 VanDerWaalsContact O-OD1 3.12Å; S343-G352 PolarHBondContact O-N 3.08Å; S343-G352 VanDerWaalsContact OG-C 3.29Å; S343-G352 VanDerWaalsContact OG-CA 3.3Å; S343-G352 WeakPolarHBondContact OG-CA 3.37Å; S343-G352 PolarHBondContact OG-O 2.89Å
344F92.6Very high92.6Very high19 Ų1945.2 Ų45.28%0.08323%0.228CC..THydrogen-bonded Turntrans-86-2.2172.7-75.1-82.3000114Y241 P243 R340 N341 M342 N351 G352 V531 A533 L534Y241-F344 HydrophobicContact CD1-CD1 4.15Å; Y241-F344 HydrophobicContact CD1-CE1 4.25Å; Y241-F344 AromaticContact CE1-CD1 3.98Å; Y241-F344 HydrophobicContact CE1-CD1 3.98Å; Y241-F344 AromaticContact CE1-CE1 3.77Å; Y241-F344 HydrophobicContact CE1-CE1 3.77Å; P243-F344 HydrophobicContact CB-CE1 4.4Å; P243-F344 HydrophobicContact CB-CE2 3.86Å; P243-F344 HydrophobicContact CB-CZ 3.58Å; P243-F344 HydrophobicContact CG-CD2 4.31Å; P243-F344 HydrophobicContact CG-CE2 3.67Å; P243-F344 HydrophobicContact CG-CZ 3.82Å; R340-F344 HydrophobicContact CG-CE2 4.41Å; R340-F344 VanDerWaalsContact O-CD2 3.29Å; R340-F344 WeakPolarHBondContact O-CD2 3.38Å; N341-F344 PolarHBondContact O-N 3.49Å; M342-F344 PolarHBondContact O-N 3.04Å; F344-N351 WeakPolarHBondContact CA-OD1 3.42Å; F344-G352 VanDerWaalsContact CE2-CA 3.5Å; F344-G352 VanDerWaalsContact CZ-CA 3.41Å; F344-V531 HydrophobicContact CB-CG2 4.05Å; F344-V531 HydrophobicContact CD2-CG2 3.74Å; F344-V531 HydrophobicContact CE2-CG2 4.4Å; F344-V531 HydrophobicContact CG-CG2 3.92Å; F344-A533 HydrophobicContact CB-CB 3.83Å; F344-A533 HydrophobicContact CD1-CB 4.37Å; F344-A533 HydrophobicContact CG-CB 4.47Å; F344-A533 CarbonylContact O-C 3.54Å; F344-A533 VanDerWaalsContact O-CA 3.32Å; F344-A533 WeakPolarHBondContact O-CA 3.28Å; F344-L534 PolarHBondContact O-N 3.14Å
345Q93.4Very high92.4Very high8 Ų847.7 Ų47.74%0.03724%0.244CC..THydrogen-bonded Turntrans-109.59.3-179-64.2173.937.800112.6Y238 N341 M342 S343 F347 M516 V532Y238-Q345 HydrophobicContact CD1-CG 4.34Å; Y238-Q345 HydrophobicContact CE1-CB 4.24Å; Y238-Q345 HydrophobicContact CE1-CG 3.93Å; N341-Q345 WeakPolarHBondContact O-CG 3.44Å; N341-Q345 PolarHBondContact O-NE2 2.88Å; N341-Q345 PolarHBondContact OD1-NE2 3.48Å; M342-Q345 PolarHBondContact O-N 3.21Å; S343-Q345 VanDerWaalsContact C-N 3.33Å; Q345-F347 HydrophobicContact CB-CD2 3.8Å; Q345-F347 HydrophobicContact CB-CE2 3.91Å; Q345-M516 PolarHBondContact NE2-O 2.87Å; Q345-V532 WeakPolarHBondContact CG-O 3.48Å; Q345-V532 PolarHBondContact NE2-O 3.49Å
346G89.9Confident92.2Very high53 Ų5349.8 Ų49.855%0.54626%0.257SS..THydrogen-bonded Turntrans8317.1179.700000114.9
347F92.9Very high91.9Very high24 Ų2444.8 Ų44.811%0.10524%0.241CC..  trans-78.4-25.2177.2-76.3-118.3000112.9L267 T326 A327 F332 M342 Q345 L513 I514L267-F347 HydrophobicContact CD2-CE1 3.74Å; L267-F347 HydrophobicContact CD2-CZ 4.4Å; T326-F347 CarbonylContact C-O 3.49Å; T326-F347 VanDerWaalsContact CA-O 3.28Å; T326-F347 WeakPolarHBondContact CA-O 3.32Å; T326-F347 WeakPolarHBondContact CB-O 3.49Å; A327-F347 PolarHBondContact N-O 3.43Å; F332-F347 HydrophobicContact CD2-CD1 4.5Å; F332-F347 AromaticContact CE2-CD1 3.97Å; F332-F347 HydrophobicContact CE2-CD1 3.97Å; F332-F347 HydrophobicContact CE2-CE1 4.26Å; M342-F347 HydrophobicContact CB-CB 3.84Å; M342-F347 HydrophobicContact CB-CD1 4.18Å; M342-F347 HydrophobicContact CB-CD2 4.2Å; M342-F347 HydrophobicContact CB-CG 3.82Å; M342-F347 HydrophobicContact CG-CD1 4.09Å; M342-F347 HydrophobicContact CG-CD2 4.48Å; M342-F347 HydrophobicContact CG-CE1 4.35Å; M342-F347 HydrophobicContact CG-CG 4.17Å; M342-F347 WeakPolarHBondContact O-CB 3.3Å; M342-F347 WeakPolarHBondContact O-CD2 3.49Å; M342-F347 PolarHBondContact O-N 3.41Å; M342-F347 HydrophobicContact SD-CD1 4.05Å; M342-F347 HydrophobicContact SD-CE1 4.32Å; Q345-F347 HydrophobicContact CB-CD2 3.8Å; Q345-F347 HydrophobicContact CB-CE2 3.91Å; F347-L513 HydrophobicContact CD1-CD1 4.11Å; F347-L513 HydrophobicContact CE1-CB 3.95Å; F347-L513 HydrophobicContact CE1-CD1 3.54Å; F347-L513 HydrophobicContact CE1-CG 4.38Å; F347-L513 HydrophobicContact CZ-CB 3.98Å; F347-L513 HydrophobicContact CZ-CD1 4.27Å; F347-I514 VanDerWaalsContact CZ-O 3.3Å; F347-I514 WeakPolarHBondContact CZ-O 3.37Å
348T93.5Very high91.6Very high7 Ų743.6 Ų43.64%0.04324%0.238CC..SBendtrans-102158.9178.952.70000110.5F324 S343 E350 V353F324-T348 HydrophobicContact CD2-CG2 4.13Å; F324-T348 HydrophobicContact CE2-CG2 4.15Å; S343-T348 VanDerWaalsContact CA-OG1 3.25Å; S343-T348 WeakPolarHBondContact CA-OG1 3.43Å; S343-T348 VanDerWaalsContact CB-OG1 3.22Å; S343-T348 WeakPolarHBondContact CB-OG1 3.4Å; S343-T348 PolarHBondContact O-OG1 3.14Å; T348-E350 VanDerWaalsContact C-N 3.28Å; T348-E350 PolarHBondContact O-N 2.82Å; T348-E350 PolarHBondContact OG1-O 2.88Å; T348-V353 WeakPolarHBondContact CB-O 3.33Å; T348-V353 WeakPolarHBondContact CG2-O 3.37Å; T348-V353 PolarHBondContact OG1-O 3.21Å
349K90.1Very high91.3Very high183 Ų18348.3 Ų48.380%0.79626%0.26SS*.SBendtrans-60.4-38.4-179.4-172.6179.8179.9-176.30112.7
350E89.8Confident91Very high122 Ų12248.6 Ų48.657%0.5726%0.262SS*.SBendtrans-115135.6175.8-70.5176.9-16400109.6T348 G352 V353T348-E350 VanDerWaalsContact C-N 3.28Å; T348-E350 PolarHBondContact O-N 2.82Å; T348-E350 PolarHBondContact OG1-O 2.88Å; E350-G352 PolarHBondContact O-N 3.49Å; E350-V353 HydrophobicContact CB-CB 3.99Å; E350-V353 HydrophobicContact CB-CG2 4.06Å; E350-V353 PolarHBondContact O-N 2.88Å
351N88.3Confident90.9Very high103 Ų10347.9 Ų47.955%0.55126%0.263SS*.THydrogen-bonded Turntrans-65.8129.5-177.2-170.850.1000110.8S343 F344 V353S343-N351 WeakPolarHBondContact O-CA 3.37Å; S343-N351 PolarHBondContact O-OD1 3.11Å; S343-N351 VanDerWaalsContact O-OD1 3.12Å; F344-N351 WeakPolarHBondContact CA-OD1 3.42Å; N351-V353 PolarHBondContact O-N 3.4Å
352G89.1Confident90.7Very high23 Ų2347.7 Ų47.724%0.23726%0.262CS..THydrogen-bonded Turntrans77.7-12.2-179.800000115.5S343 F344 E350S343-G352 PolarHBondContact O-N 3.08Å; S343-G352 VanDerWaalsContact OG-C 3.29Å; S343-G352 VanDerWaalsContact OG-CA 3.3Å; S343-G352 WeakPolarHBondContact OG-CA 3.37Å; S343-G352 PolarHBondContact OG-O 2.89Å; F344-G352 VanDerWaalsContact CE2-CA 3.5Å; F344-G352 VanDerWaalsContact CZ-CA 3.41Å; E350-G352 PolarHBondContact O-N 3.49Å
353V92.3Very high90.5Very high75 Ų7551 Ų5146%0.45528%0.277SS..  trans-94.7123.6179.2-178.40000110T348 E350 N351 P355T348-V353 WeakPolarHBondContact CB-O 3.33Å; T348-V353 WeakPolarHBondContact CG2-O 3.37Å; T348-V353 PolarHBondContact OG1-O 3.21Å; E350-V353 HydrophobicContact CB-CB 3.99Å; E350-V353 HydrophobicContact CB-CG2 4.06Å; E350-V353 PolarHBondContact O-N 2.88Å; N351-V353 PolarHBondContact O-N 3.4Å; V353-P355 WeakPolarHBondContact O-CD 3.31Å
354V93.1Very high90.1Very high37 Ų3752 Ų5222%0.22428%0.283CS..  trans-102104.9175.8-173.90000109.1F324 A339 V356F324-V354 HydrophobicContact CB-CG1 3.77Å; F324-V354 HydrophobicContact CD2-CG1 4.23Å; F324-V354 HydrophobicContact CG-CG1 3.96Å; A339-V354 HydrophobicContact CB-CG1 3.85Å; A339-V354 HydrophobicContact CB-CG2 4.45Å; V354-V356 VanDerWaalsContact C-N 3.27Å; V354-V356 HydrophobicContact CB-CG2 4.4Å; V354-V356 HydrophobicContact CG1-CG2 3.78Å; V354-V356 PolarHBondContact O-N 2.83Å
355P91.5Very high90Very high53 Ų5351.1 Ų51.134%0.34428%0.279SS..  trans-76.181.1176.932.1-35000109.8F324 E325 V353 I357F324-P355 WeakPolarHBondContact CA-O 3.32Å; F324-P355 WeakPolarHBondContact CB-O 3.41Å; E325-P355 HydrophobicContact CB-CB 4.49Å; E325-P355 HydrophobicContact CB-CG 3.98Å; E325-P355 PolarHBondContact N-O 3.26Å; E325-P355 VanDerWaalsContact N-O 3.16Å; E325-P355 WeakPolarHBondContact O-CG 3.35Å; V353-P355 WeakPolarHBondContact O-CD 3.31Å; P355-I357 PolarHBondContact O-N 3.49Å
356V90.7Very high89.9Confident52 Ų5251.2 Ų51.232%0.31528%0.28SS..EExtended strand (participates in β ladder)trans-68.8118.7178.7-179.60000109.1V322 V354V322-V356 HydrophobicContact CB-CG1 4.3Å; V322-V356 HydrophobicContact CG1-CG1 4.46Å; V354-V356 VanDerWaalsContact C-N 3.27Å; V354-V356 HydrophobicContact CB-CG2 4.4Å; V354-V356 HydrophobicContact CG1-CG2 3.78Å; V354-V356 PolarHBondContact O-N 2.83Å
357I86.7Confident89.9Confident46 Ų4649 Ų4924%0.23626%0.257CS..EExtended strand (participates in β ladder)trans-79.9-44.1174.5-55.7174.1000109.2M290 A323 E325 V331 P355M290-I357 HydrophobicContact CE-CB 4.14Å; M290-I357 HydrophobicContact CE-CD1 4.4Å; M290-I357 HydrophobicContact CE-CG2 3.92Å; M290-I357 HydrophobicContact CG-CD1 4.46Å; M290-I357 HydrophobicContact CG-CG2 4.02Å; A323-I357 PolarHBondContact O-N 3.12Å; E325-I357 HydrophobicContact CB-CD1 4.25Å; V331-I357 HydrophobicContact CG1-CD1 4.13Å; V331-I357 HydrophobicContact CG2-CD1 3.7Å; P355-I357 PolarHBondContact O-N 3.49Å
358M84.7Confident89.8Confident30 Ų3048 Ų4815%0.14825%0.253CS..EExtended strand (participates in β ladder)trans-162.5159.7179.462.3178.2-61.400112.9K283 M290 A323 I360K283-M358 HydrophobicContact CB-CE 3.6Å; K283-M358 HydrophobicContact CD-CE 4.03Å; K283-M358 HydrophobicContact CG-CE 4.34Å; M290-M358 HydrophobicContact CE-CG 3.56Å; M290-M358 HydrophobicContact CE-SD 3.49Å; M290-M358 WeakPolarHBondContact CE-SD 3.34Å; M290-M358 HydrophobicContact SD-SD 3.99Å; A323-M358 HydrophobicContact CB-CG 3.86Å; A323-M358 PolarHBondContact N-O 3.28Å; A323-M358 PolarHBondContact O-N 2.64Å; M358-I360 HydrophobicContact CE-CD1 4Å; M358-I360 HydrophobicContact CE-CG1 3.5Å; M358-I360 HydrophobicContact CG-CD1 4.15Å; M358-I360 HydrophobicContact CG-CG1 4.01Å; M358-I360 HydrophobicContact SD-CD1 3.97Å; M358-I360 HydrophobicContact SD-CG1 4.06Å
359E87.9Confident89.7Confident100 Ų10048.1 Ų48.147%0.46725%0.254SS..EExtended strand (participates in β ladder)trans-98.4137.2169.1-58.1-168.2167.300110.2Y321 V322 R336Y321-E359 WeakPolarHBondContact O-CA 3.36Å; V322-E359 HydrophobicContact CG1-CG 4.33Å; R336-E359 IonicContact CZ-OE1 3.72Å; R336-E359 IonicContact NH1-OE1 2.83Å; R336-E359 PolarHBondContact NH1-OE1 3.04Å
360I88.6Confident89.9Confident6 Ų639.4 Ų39.43%0.03122%0.217CC..EExtended strand (participates in β ladder)trans-130.2136.8-173.7-55.8177.1000108.6F280 Y321 A323 I333 M358 D364 I365F280-I360 HydrophobicContact CE2-CD1 4.4Å; Y321-I360 WeakPolarHBondContact CA-O 3.47Å; Y321-I360 PolarHBondContact N-O 3.4Å; Y321-I360 PolarHBondContact O-N 3.39Å; A323-I360 HydrophobicContact CB-CD1 3.99Å; I333-I360 HydrophobicContact CD1-CD1 4.21Å; M358-I360 HydrophobicContact CE-CD1 4Å; M358-I360 HydrophobicContact CE-CG1 3.5Å; M358-I360 HydrophobicContact CG-CD1 4.15Å; M358-I360 HydrophobicContact CG-CG1 4.01Å; M358-I360 HydrophobicContact SD-CD1 3.97Å; M358-I360 HydrophobicContact SD-CG1 4.06Å; I360-D364 HydrophobicContact CG2-CB 3.76Å; I360-I365 HydrophobicContact CG2-CD1 4.18Å; I360-I365 HydrophobicContact CG2-CG1 3.77Å
361L90.8Very high90.2Very high60 Ų6036.1 Ų36.131%0.31421%0.207SC..EExtended strand (participates in β ladder)trans-86.8143.7171.7-167.269.9000108.7P317 K320 Q363 D364P317-L361 WeakPolarHBondContact O-CG 3.33Å; K320-L361 HydrophobicContact CG-CD1 4.43Å; L361-Q363 HydrophobicContact CD2-CB 4.37Å; L361-Q363 PolarHBondContact O-N 3.37Å; L361-D364 WeakPolarHBondContact CB-OD2 3.34Å; L361-D364 PolarHBondContact N-OD2 3.31Å; L361-D364 VanDerWaalsContact N-OD2 3.08Å; L361-D364 VanDerWaalsContact O-CB 3.31Å; L361-D364 WeakPolarHBondContact O-CB 3.4Å; L361-D364 PolarHBondContact O-N 2.93Å
362G89.8Confident90.4Very high0 Ų031.9 Ų31.90%019%0.186CC..Hα-helixtrans-53.1-33.8-178.100000114.2R316 P317 M319 D364 I365 L366R316-G362 WeakPolarHBondContact O-CA 3.28Å; P317-G362 PolarHBondContact O-N 2.7Å; M319-G362 PolarHBondContact O-N 2.9Å; G362-D364 PolarHBondContact O-N 3.13Å; G362-I365 WeakPolarHBondContact O-CB 3.17Å; G362-I365 PolarHBondContact O-N 2.94Å; G362-L366 PolarHBondContact O-N 3.41Å
363Q90Very high90.5Very high69 Ų6931.3 Ų31.332%0.32218%0.178SC..Hα-helixtrans-58.7-27.2175.3-168177.612.300113.8P317 L361 I365 L366P317-Q363 HydrophobicContact CB-CB 4.32Å; P317-Q363 PolarHBondContact O-N 3.16Å; L361-Q363 HydrophobicContact CD2-CB 4.37Å; L361-Q363 PolarHBondContact O-N 3.37Å; Q363-I365 VanDerWaalsContact C-N 3.33Å; Q363-L366 HydrophobicContact CG-CD1 4.36Å
364D87.1Confident90.5Very high22 Ų2229.6 Ų29.612%0.11817%0.166CC..Hα-helixtrans-77.1-21.5178.4-55.6-49.4000112.7K283 I360 L361 G362K283-D364 WeakPolarHBondContact CE-OD2 3.46Å; K283-D364 IonicContact NZ-OD1 3.78Å; K283-D364 IonicContact NZ-OD2 2.66Å; K283-D364 PolarHBondContact NZ-OD2 3.23Å; I360-D364 HydrophobicContact CG2-CB 3.76Å; L361-D364 WeakPolarHBondContact CB-OD2 3.34Å; L361-D364 PolarHBondContact N-OD2 3.31Å; L361-D364 VanDerWaalsContact N-OD2 3.08Å; L361-D364 VanDerWaalsContact O-CB 3.31Å; L361-D364 WeakPolarHBondContact O-CB 3.4Å; L361-D364 PolarHBondContact O-N 2.93Å; G362-D364 PolarHBondContact O-N 3.13Å
365I89.8Confident90.5Very high1 Ų128.7 Ų28.71%0.00516%0.161CC..Hα-helixtrans-85-24.1-179.6-55.3172.1000110.8L297 V315 Y321 I333 I360 G362 Q363 G367 C368 A382L297-I365 HydrophobicContact CD1-CG2 3.86Å; L297-I365 HydrophobicContact CD2-CG2 3.92Å; V315-I365 HydrophobicContact CG1-CG2 4.35Å; V315-I365 HydrophobicContact CG2-CB 4.48Å; Y321-I365 HydrophobicContact CD1-CD1 4.46Å; Y321-I365 HydrophobicContact CD2-CD1 3.92Å; Y321-I365 HydrophobicContact CE2-CD1 4.37Å; Y321-I365 HydrophobicContact CG-CD1 3.97Å; I333-I365 HydrophobicContact CG2-CD1 3.86Å; I360-I365 HydrophobicContact CG2-CD1 4.18Å; I360-I365 HydrophobicContact CG2-CG1 3.77Å; G362-I365 WeakPolarHBondContact O-CB 3.17Å; G362-I365 PolarHBondContact O-N 2.94Å; Q363-I365 VanDerWaalsContact C-N 3.33Å; I365-G367 PolarHBondContact O-N 2.94Å; I365-C368 VanDerWaalsContact O-CB 3.3Å; I365-C368 WeakPolarHBondContact O-CB 3.31Å; I365-C368 PolarHBondContact O-N 2.66Å; I365-C368 PolarHBondContact O-SG 2.95Å; I365-A382 HydrophobicContact CG2-CB 4.08Å; I365-A382 WeakPolarHBondContact O-CB 3.21Å
366L91.9Very high90.4Very high10 Ų1030.2 Ų30.25%0.05217%0.173CC..THydrogen-bonded Turntrans-56.7137.1-176.9-65.6-179.9000112.6V315 P317 G362 Q363 C368 L383 P384 Y424 I426V315-L366 HydrophobicContact CG2-CD2 3.36Å; V315-L366 HydrophobicContact CG2-CG 4.26Å; P317-L366 HydrophobicContact CB-CD1 4.22Å; P317-L366 HydrophobicContact CG-CD1 4.09Å; G362-L366 PolarHBondContact O-N 3.41Å; Q363-L366 HydrophobicContact CG-CD1 4.36Å; L366-C368 VanDerWaalsContact C-N 3.28Å; L366-C368 PolarHBondContact O-N 3.2Å; L366-L383 VanDerWaalsContact CD2-C 3.49Å; L366-P384 HydrophobicContact CD1-CB 4.08Å; L366-P384 HydrophobicContact CD2-CB 3.98Å; L366-P384 HydrophobicContact CD2-CG 4.48Å; L366-Y424 HydrophobicContact CD1-CD1 3.93Å; L366-Y424 HydrophobicContact CD1-CG 4.04Å; L366-I426 HydrophobicContact CB-CD1 4.02Å
367G89.3Confident90.5Very high6 Ų630.5 Ų30.56%0.06217%0.169CC..THydrogen-bonded Turntrans79.8-1.3-17900000115.1T277 I365 A369 A382T277-G367 VanDerWaalsContact CG2-C 3.5Å; T277-G367 WeakPolarHBondContact CG2-O 3.35Å; I365-G367 PolarHBondContact O-N 2.94Å; G367-A369 PolarHBondContact O-N 2.82Å; G367-A382 PolarHBondContact N-O 3.34Å
368C90.7Very high90.6Very high2 Ų235.2 Ų35.21%0.01419%0.194CC..  trans-64.4134.9173-69.10000111V272 I365 L366 Y381 A382V272-C368 HydrophobicContact CG1-CB 4.25Å; I365-C368 VanDerWaalsContact O-CB 3.3Å; I365-C368 WeakPolarHBondContact O-CB 3.31Å; I365-C368 PolarHBondContact O-N 2.66Å; I365-C368 PolarHBondContact O-SG 2.95Å; L366-C368 VanDerWaalsContact C-N 3.28Å; L366-C368 PolarHBondContact O-N 3.2Å; C368-Y381 WeakPolarHBondContact O-CA 3.48Å; C368-A382 PolarHBondContact O-N 3.2Å; C368-A382 VanDerWaalsContact O-N 3.08Å
369A92.5Very high91Very high10 Ų1037.4 Ų37.48%0.08321%0.206CC..EExtended strand (participates in β ladder)trans-76.9136.5172.500000110.3V273 G367 I379 Y381V273-A369 HydrophobicContact CB-CB 4.5Å; V273-A369 PolarHBondContact N-O 3.21Å; G367-A369 PolarHBondContact O-N 2.82Å; A369-I379 HydrophobicContact CB-CG2 3.83Å; A369-Y381 HydrophobicContact CB-CD1 4.32Å; A369-Y381 HydrophobicContact CB-CE1 3.96Å
370L94.1Very high91.3Very high0 Ų032.7 Ų32.70%018%0.184CC..EExtended strand (participates in β ladder)trans-130.1137.6-174.5-56.9170.5000110.2M270 K271 V272 L297 C313 I379 I380 A382M270-L370 HydrophobicContact CB-CB 4.4Å; M270-L370 HydrophobicContact CB-CD1 4.49Å; M270-L370 HydrophobicContact SD-CD1 4.35Å; K271-L370 CarbonylContact O-C 3.55Å; K271-L370 VanDerWaalsContact O-CA 3.27Å; K271-L370 WeakPolarHBondContact O-CA 3.35Å; V272-L370 HydrophobicContact CB-CD2 4.41Å; V272-L370 HydrophobicContact CG2-CD2 3.86Å; L297-L370 HydrophobicContact CD1-CD1 3.72Å; L297-L370 HydrophobicContact CD1-CD2 3.64Å; L297-L370 HydrophobicContact CD1-CG 4.31Å; L297-L370 HydrophobicContact CG-CD2 3.98Å; C313-L370 HydrophobicContact CB-CD1 3.38Å; L370-I379 WeakPolarHBondContact O-CA 3.48Å; L370-I380 HydrophobicContact CB-CG1 3.88Å; L370-I380 PolarHBondContact N-O 3.03Å; L370-I380 PolarHBondContact O-N 3.19Å; L370-A382 HydrophobicContact CD1-CB 4.29Å
371S94.6Very high91.7Very high54 Ų5434.2 Ų34.238%0.37819%0.19SC..EExtended strand (participates in β ladder)trans-96.4117163.3179.30000107.9M270 K271M270-S371 CarbonylContact C-O 3.58Å; M270-S371 WeakPolarHBondContact CA-O 3.34Å; K271-S371 PolarHBondContact N-O 2.8Å; K271-S371 PolarHBondContact O-N 3.38Å
372A93.3Very high91.9Very high13 Ų1331.4 Ų31.411%0.10718%0.175CC..  trans-110.5144.2-176.300000111.3M270 T375 I380M270-A372 HydrophobicContact CG-CB 3.94Å; M270-A372 HydrophobicContact SD-CB 4.44Å; A372-T375 HydrophobicContact CB-CG2 3.95Å; A372-I380 HydrophobicContact CB-CD1 3.45Å; A372-I380 VanDerWaalsContact CB-CD1 3.45Å; A372-I380 HydrophobicContact CB-CG1 4.09Å
373P91.6Very high92.1Very high11 Ų1131.4 Ų31.47%0.07118%0.175CC..SBendtrans-62.6149177.8-26.137.1000113.7I268 K269 Q310 T375 E511I268-P373 HydrophobicContact CG2-CG 3.92Å; K269-P373 WeakPolarHBondContact O-CD 3.41Å; Q310-P373 PolarHBondContact NE2-O 2.8Å; P373-T375 PolarHBondContact O-N 3.21Å; P373-E511 HydrophobicContact CB-CB 3.93Å; P373-E511 HydrophobicContact CB-CG 4.34Å; P373-E511 HydrophobicContact CG-CB 3.79Å; P373-E511 HydrophobicContact CG-CG 4.36Å
374L92.3Very high92.3Very high39 Ų3928.2 Ų28.220%0.20416%0.16CC..SBendtrans61.8-22170.8-56.4-173.3000118.7M307 F308 I502 M505 M506M307-L374 HydrophobicContact CB-CB 4.35Å; M307-L374 HydrophobicContact CB-CD1 4.21Å; F308-L374 HydrophobicContact CD1-CB 3.76Å; F308-L374 VanDerWaalsContact CD1-O 3.31Å; F308-L374 WeakPolarHBondContact CD1-O 3.22Å; F308-L374 HydrophobicContact CD2-CD1 4.49Å; F308-L374 HydrophobicContact CE1-CB 3.88Å; F308-L374 HydrophobicContact CE1-CD1 4.06Å; F308-L374 HydrophobicContact CE1-CD2 4.06Å; F308-L374 HydrophobicContact CE1-CG 4.23Å; F308-L374 HydrophobicContact CE2-CD1 4.02Å; F308-L374 HydrophobicContact CG-CB 4.25Å; F308-L374 HydrophobicContact CZ-CB 4.45Å; F308-L374 HydrophobicContact CZ-CD1 3.79Å; F308-L374 HydrophobicContact CZ-CD2 4.35Å; F308-L374 HydrophobicContact CZ-CG 4.44Å; L374-I502 HydrophobicContact CD1-CG2 4.01Å; L374-M505 HydrophobicContact CD1-CE 4.34Å; L374-M505 HydrophobicContact CD2-CE 3.96Å; L374-M505 HydrophobicContact CD2-SD 4.24Å; L374-M506 HydrophobicContact CD1-CE 4.29Å; L374-M506 HydrophobicContact CD1-CG 3.73Å; L374-M506 HydrophobicContact CD1-SD 3.41Å; L374-M506 WeakPolarHBondContact CD1-SD 3.27Å; L374-M506 HydrophobicContact CD2-CG 4.48Å; L374-M506 HydrophobicContact CG-CG 4.12Å; L374-M506 HydrophobicContact CG-SD 3.98Å
375T92.3Very high92.6Very high18 Ų1827.7 Ų27.711%0.1116%0.157CC..  trans-66.6150.4-179.3179.80000112.7Q310 A372 P373 Y377Q310-T375 HydrophobicContact CB-CG2 4.35Å; Q310-T375 PolarHBondContact O-OG1 3.01Å; A372-T375 HydrophobicContact CB-CG2 3.95Å; P373-T375 PolarHBondContact O-N 3.21Å; T375-Y377 WeakPolarHBondContact CG2-O 3.21Å; T375-Y377 PolarHBondContact O-N 2.92Å; T375-Y377 PolarHBondContact OG1-N 3.37Å
376S89.6Confident92.6Very high85 Ų8530.6 Ų30.659%0.59417%0.173SC*.SBendtrans-71.9-16.7172.157.10000113.4
377Y92.8Very high92.4Very high59 Ų5932.1 Ų32.123%0.23118%0.182CC..  trans-85.2112.5176.7-68.2-71.6000110.8Q310 T311 T375 I379 F434 E435 V437Q310-Y377 WeakPolarHBondContact O-CD2 3.32Å; T311-Y377 HydrophobicContact CG2-CE2 4.1Å; T375-Y377 WeakPolarHBondContact CG2-O 3.21Å; T375-Y377 PolarHBondContact O-N 2.92Å; T375-Y377 PolarHBondContact OG1-N 3.37Å; Y377-I379 PolarHBondContact O-N 2.92Å; Y377-F434 AromaticContact CD1-CD1 3.79Å; Y377-F434 HydrophobicContact CD1-CD1 3.79Å; Y377-F434 AromaticContact CD1-CE1 3.79Å; Y377-F434 HydrophobicContact CD1-CE1 3.79Å; Y377-F434 HydrophobicContact CD2-CD1 4.13Å; Y377-F434 AromaticContact CE1-CD1 3.81Å; Y377-F434 HydrophobicContact CE1-CD1 3.81Å; Y377-F434 HydrophobicContact CE1-CE1 4.23Å; Y377-F434 HydrophobicContact CE2-CD1 4.15Å; Y377-F434 AromaticContact CG-CD1 3.95Å; Y377-F434 HydrophobicContact CG-CD1 3.95Å; Y377-F434 AromaticContact CG-CE1 3.96Å; Y377-F434 HydrophobicContact CG-CE1 3.96Å; Y377-F434 AromaticContact CZ-CD1 4Å; Y377-E435 PolarHBondContact OH-N 3.37Å; Y377-E435 VanDerWaalsContact OH-N 3.16Å; Y377-E435 PolarHBondContact OH-O 3.21Å; Y377-E435 VanDerWaalsContact OH-O 3.1Å; Y377-V437 HydrophobicContact CD2-CG2 4.32Å; Y377-V437 HydrophobicContact CE2-CG2 3.58Å
378N88.4Confident92.4Very high144 Ų14432.4 Ų32.477%0.7718%0.182SC*.SBendtrans-58.4-33.8179.8-68.6-26.2000113.5
379I93.3Very high92.2Very high77 Ų7737.4 Ų37.440%0.39520%0.204SC..  trans-133.8128.8177.9-59.8177.6000108.4A369 L370 Y377 Y381 F434A369-I379 HydrophobicContact CB-CG2 3.83Å; L370-I379 WeakPolarHBondContact O-CA 3.48Å; Y377-I379 PolarHBondContact O-N 2.92Å; I379-Y381 HydrophobicContact CG2-CE2 4.38Å; I379-F434 WeakPolarHBondContact O-CE1 3.35Å; I379-F434 WeakPolarHBondContact O-CZ 3.26Å
380I95.3Very high91.7Very high0 Ų041.8 Ų41.80%022%0.222CC..EExtended strand (participates in β ladder)trans-120.8172.3170.271.1173.6000109.8M270 Q310 T311 L370 A372 F434M270-I380 HydrophobicContact SD-CD1 4.32Å; Q310-I380 HydrophobicContact CB-CD1 4.5Å; T311-I380 WeakPolarHBondContact O-CB 3.38Å; T311-I380 WeakPolarHBondContact O-CG2 3.33Å; L370-I380 HydrophobicContact CB-CG1 3.88Å; L370-I380 PolarHBondContact N-O 3.03Å; L370-I380 PolarHBondContact O-N 3.19Å; A372-I380 HydrophobicContact CB-CD1 3.45Å; A372-I380 VanDerWaalsContact CB-CD1 3.45Å; A372-I380 HydrophobicContact CB-CG1 4.09Å; I380-F434 HydrophobicContact CG2-CE1 4.4Å
381Y95.5Very high91.1Very high39 Ų3946 Ų4615%0.15325%0.245CC..EExtended strand (participates in β ladder)trans-125.2153.2-175.6-63.8-85.9000113.5N312 C313 C368 A369 I379 M430 F434N312-Y381 WeakPolarHBondContact CB-O 3.11Å; C313-Y381 PolarHBondContact N-O 3.32Å; C368-Y381 WeakPolarHBondContact O-CA 3.48Å; A369-Y381 HydrophobicContact CB-CD1 4.32Å; A369-Y381 HydrophobicContact CB-CE1 3.96Å; I379-Y381 HydrophobicContact CG2-CE2 4.38Å; Y381-M430 HydrophobicContact CD1-CB 4.23Å; Y381-M430 HydrophobicContact CD1-CG 3.79Å; Y381-M430 HydrophobicContact CD1-SD 4.29Å; Y381-M430 HydrophobicContact CD2-CB 3.78Å; Y381-M430 HydrophobicContact CD2-CG 4.08Å; Y381-M430 HydrophobicContact CE1-CG 3.94Å; Y381-M430 HydrophobicContact CE2-CB 4.25Å; Y381-M430 HydrophobicContact CE2-CG 4.21Å; Y381-M430 HydrophobicContact CG-CB 3.76Å; Y381-M430 HydrophobicContact CG-CG 3.86Å; Y381-F434 AromaticContact CD2-CE2 3.65Å; Y381-F434 HydrophobicContact CD2-CE2 3.65Å; Y381-F434 AromaticContact CD2-CZ 3.76Å; Y381-F434 HydrophobicContact CD2-CZ 3.76Å; Y381-F434 AromaticContact CE2-CE2 3.87Å; Y381-F434 HydrophobicContact CE2-CE2 3.87Å; Y381-F434 AromaticContact CE2-CZ 3.8Å; Y381-F434 HydrophobicContact CE2-CZ 3.8Å
382A94.9Very high90.6Very high0 Ų047.5 Ų47.50%025%0.245CC..EExtended strand (participates in β ladder)trans-78.2116.6168.100000110.9L297 C313 V315 I365 G367 C368 L370L297-A382 HydrophobicContact CD1-CB 4.36Å; C313-A382 CarbonylContact O-C 3.59Å; C313-A382 WeakPolarHBondContact O-CA 3.45Å; V315-A382 HydrophobicContact CG2-CB 4.43Å; I365-A382 HydrophobicContact CG2-CB 4.08Å; I365-A382 WeakPolarHBondContact O-CB 3.21Å; G367-A382 PolarHBondContact N-O 3.34Å; C368-A382 PolarHBondContact O-N 3.2Å; C368-A382 VanDerWaalsContact O-N 3.08Å; L370-A382 HydrophobicContact CD1-CB 4.29Å
383L95.4Very high90.4Very high0 Ų047.1 Ų47.10%024%0.242CC..EExtended strand (participates in β ladder)trans-117.9154.3-175.9-62.2-172.8000111.8N312 C313 W314 V315 L366 I414 I426 M430 V431N312-L383 HydrophobicContact CB-CD1 3.7Å; N312-L383 HydrophobicContact CB-CG 4Å; C313-L383 PolarHBondContact O-N 2.84Å; W314-L383 WeakPolarHBondContact CA-O 3.41Å; W314-L383 HydrophobicContact CE3-CB 3.8Å; W314-L383 HydrophobicContact CH2-CB 4.49Å; W314-L383 HydrophobicContact CH2-CD1 4.45Å; W314-L383 HydrophobicContact CZ3-CB 3.53Å; W314-L383 HydrophobicContact CZ3-CD1 4.23Å; V315-L383 PolarHBondContact N-O 3.27Å; L366-L383 VanDerWaalsContact CD2-C 3.49Å; L383-I414 HydrophobicContact CD2-CD1 4.39Å; L383-I426 HydrophobicContact CD2-CD1 4.11Å; L383-I426 HydrophobicContact CD2-CG1 4.43Å; L383-I426 HydrophobicContact CD2-CG2 3.73Å; L383-M430 HydrophobicContact CD2-CB 4.49Å; L383-V431 HydrophobicContact CD1-CG2 4.01Å; L383-V431 HydrophobicContact CD2-CG2 3.88Å
384P93.9Very high90.5Very high3 Ų346.7 Ų46.72%0.01924%0.239CC..EExtended strand (participates in β ladder)trans-78.5131.1-177.631-34.4000112.2V315 P317 L366 I414 L420 Y424V315-P384 WeakPolarHBondContact O-CA 3.4Å; P317-P384 HydrophobicContact CG-CB 3.62Å; L366-P384 HydrophobicContact CD1-CB 4.08Å; L366-P384 HydrophobicContact CD2-CB 3.98Å; L366-P384 HydrophobicContact CD2-CG 4.48Å; P384-I414 HydrophobicContact CG-CD1 3.92Å; P384-L420 HydrophobicContact CG-CD2 4.15Å; P384-Y424 HydrophobicContact CB-CD2 3.86Å; P384-Y424 HydrophobicContact CB-CE2 4.17Å; P384-Y424 HydrophobicContact CB-CG 4.16Å; P384-Y424 HydrophobicContact CG-CD2 3.62Å; P384-Y424 HydrophobicContact CG-CE2 4.28Å; P384-Y424 HydrophobicContact CG-CG 4.07Å
385M93.2Very high90.5Very high11 Ų1144.9 Ų44.95%0.05423%0.23CC..  trans-128.7128166.9-173.7-178.1-168.900109.8W314 V315 R316 T387 I388 D406 A410W314-M385 HydrophobicContact CB-CB 3.87Å; W314-M385 HydrophobicContact CB-SD 4.1Å; W314-M385 HydrophobicContact CD2-CB 4.02Å; W314-M385 HydrophobicContact CD2-SD 4.29Å; W314-M385 HydrophobicContact CE3-CB 3.86Å; W314-M385 HydrophobicContact CG-CB 4.06Å; W314-M385 HydrophobicContact CG-SD 3.88Å; V315-M385 PolarHBondContact O-N 3.02Å; V315-M385 VanDerWaalsContact O-N 3.1Å; R316-M385 WeakPolarHBondContact CA-O 3.49Å; M385-T387 WeakPolarHBondContact CE-OG1 3.34Å; M385-I388 HydrophobicContact CB-CD1 3.92Å; M385-I388 HydrophobicContact CB-CG1 4.04Å; M385-I388 HydrophobicContact CG-CD1 4.47Å; M385-I388 HydrophobicContact CG-CG1 4.05Å; M385-I388 HydrophobicContact SD-CD1 4.35Å; M385-I388 HydrophobicContact SD-CG1 3.81Å; M385-D406 HydrophobicContact CE-CB 3.93Å; M385-A410 HydrophobicContact CG-CB 4.39Å
386L88.9Confident90.6Very high62 Ų6244.1 Ų44.133%0.32523%0.226SC..SBendtrans-87.9-16.1-169.6-56.8-178.4000113.5P317P317-L386 HydrophobicContact CG-CD2 4.28Å
387T88.6Confident90.9Very high42 Ų4242.5 Ų42.526%0.25821%0.212SC..  trans-104.510.1-17052.70000114M385 K389M385-T387 WeakPolarHBondContact CE-OG1 3.34Å; T387-K389 PolarHBondContact O-N 2.93Å
388I90.1Very high91Very high11 Ų1140 Ų406%0.05620%0.203CC..  trans-65.6126.6175.2-60.4170.4000109.4W314 R316 M319 M385 V397W314-I388 HydrophobicContact CB-CD1 3.92Å; R316-I388 HydrophobicContact CB-CB 4.11Å; R316-I388 HydrophobicContact CB-CD1 4.19Å; R316-I388 PolarHBondContact NH1-O 3.3Å; M319-I388 HydrophobicContact CE-CG2 4.18Å; M385-I388 HydrophobicContact CB-CD1 3.92Å; M385-I388 HydrophobicContact CB-CG1 4.04Å; M385-I388 HydrophobicContact CG-CD1 4.47Å; M385-I388 HydrophobicContact CG-CG1 4.05Å; M385-I388 HydrophobicContact SD-CD1 4.35Å; M385-I388 HydrophobicContact SD-CG1 3.81Å; I388-V397 HydrophobicContact CD1-CG2 4.25Å; I388-V397 HydrophobicContact CG1-CG2 4.24Å; I388-V397 HydrophobicContact CG2-CG2 4.24Å
389K86.1Confident91.4Very high108 Ų10833.1 Ų33.147%0.4717%0.166SC..  trans-81138.3175.3-51.2-176.7178.9178.40109.7E134 T387 D391E134-K389 IonicContact OE1-NZ 2.82Å; E134-K389 PolarHBondContact OE1-NZ 3.31Å; T387-K389 PolarHBondContact O-N 2.93Å; K389-D391 VanDerWaalsContact C-N 3.35Å; K389-D391 WeakPolarHBondContact CB-OD1 3.2Å
390E81.9Confident91.5Very high101 Ų10129.6 Ų29.647%0.47215%0.148SC..THydrogen-bonded Turntrans-82-17.3-178.7-46.1-163.8154.300112.8M319M319-E390 HydrophobicContact CG-CG 4.33Å; M319-E390 HydrophobicContact SD-CB 4.01Å; M319-E390 HydrophobicContact SD-CG 3.58Å; M319-E390 VanDerWaalsContact SD-CG 3.58Å
391D80.6Confident91.5Very high88 Ų8829.6 Ų29.647%0.47115%0.148SC..THydrogen-bonded Turntrans-86.8-2.1-172.171.8-34.1000114.2R337 K389R337-D391 VanDerWaalsContact CZ-O 3.31Å; R337-D391 PolarHBondContact NH1-O 2.98Å; R337-D391 PolarHBondContact NH2-O 3.28Å; K389-D391 VanDerWaalsContact C-N 3.35Å; K389-D391 WeakPolarHBondContact CB-OD1 3.2Å
392K83.8Confident91.5Very high87 Ų8727.8 Ų27.838%0.37814%0.141SC..SBendtrans-138.5135.2-178.5-68.2-170.1-179.3-174.40112.8E517K392-E517 WeakPolarHBondContact CA-OE1 3.13Å
393G90.1Very high91.3Very high5 Ų527.9 Ų27.95%0.05214%0.142CC..THydrogen-bonded Turntrans69.4-149177.200000111.7E517G393-E517 VanDerWaalsContact CA-OE2 3.25Å; G393-E517 WeakPolarHBondContact CA-OE2 3.34Å; G393-E517 PolarHBondContact N-OE1 3.47Å; G393-E517 PolarHBondContact N-OE2 3.26Å
394T93.6Very high91.2Very high1 Ų129.1 Ų29.11%0.00615%0.151CC..THydrogen-bonded Turntrans-97.7-0.1-173.756.60000114.7L267 V298 A300 T335 M342 V396L267-T394 HydrophobicContact CD1-CG2 3.48Å; L267-T394 VanDerWaalsContact CD1-CG2 3.48Å; V298-T394 HydrophobicContact CG2-CG2 4.45Å; V298-T394 WeakPolarHBondContact O-CB 3.46Å; V298-T394 PolarHBondContact O-OG1 2.88Å; A300-T394 HydrophobicContact CB-CG2 4.29Å; T335-T394 WeakPolarHBondContact CG2-O 3.26Å; T335-T394 PolarHBondContact N-O 3.15Å; M342-T394 HydrophobicContact CE-CG2 3.59Å; T394-V396 PolarHBondContact O-N 2.96Å; T394-V396 PolarHBondContact OG1-N 3.28Å; T394-V396 PolarHBondContact OG1-O 3.45Å
395G91.9Very high91.2Very high2 Ų229.1 Ų29.12%0.02115%0.151CC..SBendtrans72.4-2.8-167.600000114.4M319 Y321M319-G395 WeakPolarHBondContact CE-O 3.48Å; Y321-G395 PolarHBondContact OH-O 3.11Å; Y321-G395 VanDerWaalsContact OH-O 3.13Å
396V95Very high91.2Very high2 Ų230.2 Ų30.21%0.01216%0.158CC..EExtended strand (participates in β ladder)trans-110.4129.1172.3-1740000107.7M270 L297 A299 C313 V315 Y321 T394M270-V396 HydrophobicContact CE-CG1 3.99Å; L297-V396 HydrophobicContact CB-CG1 4.33Å; A299-V396 WeakPolarHBondContact CA-O 3.23Å; A299-V396 HydrophobicContact CB-CB 4.28Å; A299-V396 HydrophobicContact CB-CG1 3.96Å; A299-V396 WeakPolarHBondContact CB-O 3.33Å; C313-V396 WeakPolarHBondContact SG-CG1 3.43Å; V315-V396 HydrophobicContact CG1-CG1 4.24Å; V315-V396 HydrophobicContact CG1-CG2 4.4Å; Y321-V396 HydrophobicContact CD1-CG2 4.25Å; Y321-V396 HydrophobicContact CE1-CG2 3.78Å; T394-V396 PolarHBondContact O-N 2.96Å; T394-V396 PolarHBondContact OG1-N 3.28Å; T394-V396 PolarHBondContact OG1-O 3.45Å
397V95.3Very high91.5Very high50 Ų5027.9 Ų27.930%0.30315%0.145SC..EExtended strand (participates in β ladder)trans-122.7137.9-176-174.40000109.8W314 I388W314-V397 HydrophobicContact CB-CB 4.16Å; W314-V397 PolarHBondContact N-O 2.94Å; W314-V397 PolarHBondContact O-N 3.38Å; I388-V397 HydrophobicContact CD1-CG2 4.25Å; I388-V397 HydrophobicContact CG1-CG2 4.24Å; I388-V397 HydrophobicContact CG2-CG2 4.24Å
398T95.4Very high91.8Very high7 Ų726.1 Ų26.14%0.04314%0.135CC..EExtended strand (participates in β ladder)trans-76137173.152.20000110.3I268 A299 M307I268-T398 HydrophobicContact CB-CG2 4.4Å; I268-T398 HydrophobicContact CG1-CG2 4.36Å; A299-T398 HydrophobicContact CB-CG2 3.68Å; M307-T398 HydrophobicContact CE-CG2 4.4Å; M307-T398 HydrophobicContact SD-CG2 3.86Å
399S96.4Very high92Very high0 Ų025.9 Ų25.90%013%0.134CC..EExtended strand (participates in β ladder)trans-96.2109.5177-1740000111.4Q310 T311 N312 W314 P401 D407Q310-S399 VanDerWaalsContact CA-O 3.24Å; Q310-S399 WeakPolarHBondContact CA-O 3.45Å; T311-S399 PolarHBondContact N-O 3.48Å; T311-S399 PolarHBondContact OG1-OG 3.21Å; N312-S399 VanDerWaalsContact ND2-CB 3.27Å; N312-S399 WeakPolarHBondContact ND2-CB 3.48Å; N312-S399 PolarHBondContact ND2-OG 3.07Å; N312-S399 WeakPolarHBondContact O-CB 3.41Å; N312-S399 PolarHBondContact O-N 2.86Å; N312-S399 WeakPolarHBondContact OD1-CB 3.39Å; N312-S399 PolarHBondContact OD1-OG 3.11Å; W314-S399 VanDerWaalsContact CZ2-OG 3.27Å; W314-S399 WeakPolarHBondContact CZ2-OG 3.44Å; W314-S399 PolarHBondContact NE1-OG 3.5Å; S399-P401 WeakPolarHBondContact O-CD 3.21Å; S399-D407 WeakPolarHBondContact CA-OD2 3.36Å
400V96.3Very high92.3Very high3 Ų320.8 Ų20.82%0.01811%0.112CC..  trans-120.377.1174.2-171.60000110T306 M307 Q310 S402 D403 A404 D407 I439T306-V400 WeakPolarHBondContact O-CG1 3.32Å; M307-V400 HydrophobicContact CE-CG2 3.88Å; Q310-V400 HydrophobicContact CG-CG2 3.99Å; V400-S402 WeakPolarHBondContact CG1-OG 3.49Å; V400-S402 PolarHBondContact O-N 3.15Å; V400-D403 PolarHBondContact O-N 2.84Å; V400-A404 WeakPolarHBondContact O-CB 3.29Å; V400-A404 PolarHBondContact O-N 3.4Å; V400-A404 VanDerWaalsContact O-N 3.07Å; V400-D407 PolarHBondContact N-OD2 3.33Å; V400-I439 HydrophobicContact CG1-CD1 3.74Å
401P95.4Very high92.9Very high0 Ų016.1 Ų16.10%09%0.09CC..THydrogen-bonded Turntrans-69.1-5.3-170.830.2-38.2000114.5T311 S399 D407 I408 L411 P436 P451T311-P401 HydrophobicContact CG2-CG 3.55Å; T311-P401 VanDerWaalsContact OG1-CD 3.28Å; T311-P401 WeakPolarHBondContact OG1-CD 3.23Å; T311-P401 WeakPolarHBondContact OG1-CG 3.26Å; S399-P401 WeakPolarHBondContact O-CD 3.21Å; P401-D407 HydrophobicContact CB-CB 4.3Å; P401-I408 HydrophobicContact CB-CB 3.97Å; P401-I408 HydrophobicContact CB-CD1 4.1Å; P401-I408 WeakPolarHBondContact O-CB 3.47Å; P401-L411 HydrophobicContact CB-CD2 4Å; P401-L411 HydrophobicContact CG-CD2 3.84Å; P401-P436 HydrophobicContact CB-CB 4.38Å; P401-P436 HydrophobicContact CB-CG 4.15Å; P401-P436 HydrophobicContact CG-CB 4.12Å; P401-P436 HydrophobicContact CG-CG 4.14Å; P401-P451 VanDerWaalsContact O-CD 3.32Å; P401-P451 WeakPolarHBondContact O-CD 3.46Å; P401-P451 WeakPolarHBondContact O-CG 3.32Å
402S94.1Very high93.5Very high0 Ų014.6 Ų14.60%08%0.078CC..THydrogen-bonded Turntrans-74.6-33.2173.156.20000113.1V400 V437 S449 A450 P451V400-S402 WeakPolarHBondContact CG1-OG 3.49Å; V400-S402 PolarHBondContact O-N 3.15Å; S402-V437 WeakPolarHBondContact CB-O 3.28Å; S402-V437 PolarHBondContact OG-O 3.42Å; S402-S449 PolarHBondContact O-N 2.89Å; S402-S449 PolarHBondContact O-OG 3.25Å; S402-A450 WeakPolarHBondContact O-CB 3.37Å; S402-A450 PolarHBondContact O-N 2.82Å; S402-P451 VanDerWaalsContact O-CD 3.31Å; S402-P451 WeakPolarHBondContact O-CD 3.25Å
403D92.1Very high93.8Very high3 Ų310.6 Ų10.62%0.0166%0.061CC..THydrogen-bonded Turntrans-134.3-0.7-165.8-67.2-85.3000114.1R303 V400 I439 S449 V475R303-D403 PolarHBondContact NH1-O 2.89Å; V400-D403 PolarHBondContact O-N 2.84Å; D403-I439 WeakPolarHBondContact OD2-CD1 3.48Å; D403-I439 WeakPolarHBondContact OD2-CG1 3.29Å; D403-S449 PolarHBondContact OD1-OG 2.73Å; D403-S449 VanDerWaalsContact OD1-OG 3.04Å; D403-V475 WeakPolarHBondContact O-CG1 3.32Å
404A92.9Very high93.9Very high25 Ų2510.4 Ų10.421%0.2076%0.058CC..  trans-121.1113.3174.500000111V400 D406 D407 I408V400-A404 WeakPolarHBondContact O-CB 3.29Å; V400-A404 PolarHBondContact O-N 3.4Å; V400-A404 VanDerWaalsContact O-N 3.07Å; A404-D406 VanDerWaalsContact C-N 3.32Å; A404-D406 PolarHBondContact O-N 3.42Å; A404-D407 HydrophobicContact CB-CB 4.06Å; A404-D407 WeakPolarHBondContact CB-OD2 3.31Å; A404-D407 PolarHBondContact O-N 3.01Å; A404-D407 VanDerWaalsContact O-N 3.15Å; A404-I408 PolarHBondContact O-N 3.36Å
405P94.2Very high93.8Very high3 Ų312.1 Ų12.12%0.0197%0.066CC..Hα-helixtrans-57.7-38.7-179.6-31.539.2000114.6D407 I408 A409 A450 L468 A471 V475P405-D407 VanDerWaalsContact C-N 3.27Å; P405-D407 PolarHBondContact O-N 3.41Å; P405-I408 VanDerWaalsContact O-CG2 3.25Å; P405-I408 WeakPolarHBondContact O-CG2 3.26Å; P405-A409 WeakPolarHBondContact O-CB 3.48Å; P405-A409 PolarHBondContact O-N 2.92Å; P405-A409 VanDerWaalsContact O-N 3.1Å; P405-A450 HydrophobicContact CG-CB 4.14Å; P405-L468 HydrophobicContact CB-CD2 3.95Å; P405-L468 WeakPolarHBondContact O-CD2 3.31Å; P405-A471 HydrophobicContact CB-CB 3.75Å; P405-A471 HydrophobicContact CG-CB 3.77Å; P405-V475 HydrophobicContact CG-CG2 4.38Å
406D92.3Very high93.6Very high35 Ų3518.8 Ų18.819%0.1879%0.094CC..Hα-helixtrans-59-40.2177.7-64.1-61.7000111.4M385 A404 A410 K472M385-D406 HydrophobicContact CE-CB 3.93Å; A404-D406 VanDerWaalsContact C-N 3.32Å; A404-D406 PolarHBondContact O-N 3.42Å; D406-A410 WeakPolarHBondContact O-CB 3.17Å; D406-A410 PolarHBondContact O-N 3.46Å; D406-K472 IonicContact OD2-NZ 3.73Å; D406-K472 PolarHBondContact OD2-NZ 2.92Å
407D94.8Very high93.3Very high12 Ų1223.1 Ų23.16%0.06411%0.113CC..Hα-helixtrans-73.5-45.3-174.9-64.6-20.7000111.9W314 S399 V400 P401 A404 P405 A409 A410 L411W314-D407 PolarHBondContact NE1-OD1 3.39Å; S399-D407 WeakPolarHBondContact CA-OD2 3.36Å; V400-D407 PolarHBondContact N-OD2 3.33Å; P401-D407 HydrophobicContact CB-CB 4.3Å; A404-D407 HydrophobicContact CB-CB 4.06Å; A404-D407 WeakPolarHBondContact CB-OD2 3.31Å; A404-D407 PolarHBondContact O-N 3.01Å; A404-D407 VanDerWaalsContact O-N 3.15Å; P405-D407 VanDerWaalsContact C-N 3.27Å; P405-D407 PolarHBondContact O-N 3.41Å; D407-A409 VanDerWaalsContact C-N 3.34Å; D407-A409 PolarHBondContact O-N 3.44Å; D407-A410 PolarHBondContact O-N 3.21Å; D407-L411 VanDerWaalsContact O-CB 3.25Å; D407-L411 WeakPolarHBondContact O-CB 3.27Å; D407-L411 PolarHBondContact O-N 3.06Å
408I95.2Very high93Very high6 Ų626.1 Ų26.13%0.03112%0.124CC..Hα-helixtrans-66.7-36.5176.8-176.162000111.8P401 A404 P405 R412 P436 A450 P451 C454P401-I408 HydrophobicContact CB-CB 3.97Å; P401-I408 HydrophobicContact CB-CD1 4.1Å; P401-I408 WeakPolarHBondContact O-CB 3.47Å; A404-I408 PolarHBondContact O-N 3.36Å; P405-I408 VanDerWaalsContact O-CG2 3.25Å; P405-I408 WeakPolarHBondContact O-CG2 3.26Å; I408-R412 HydrophobicContact CD1-CG 4.02Å; I408-R412 HydrophobicContact CG1-CG 4.27Å; I408-R412 VanDerWaalsContact O-CB 3.29Å; I408-R412 WeakPolarHBondContact O-CB 3.29Å; I408-R412 VanDerWaalsContact O-CG 3.24Å; I408-R412 WeakPolarHBondContact O-CG 3.31Å; I408-R412 PolarHBondContact O-N 3.44Å; I408-P436 HydrophobicContact CD1-CG 3.81Å; I408-A450 HydrophobicContact CG2-CB 4.18Å; I408-P451 HydrophobicContact CD1-CG 4.22Å; I408-P451 HydrophobicContact CG1-CB 4.35Å; I408-P451 HydrophobicContact CG1-CG 4.04Å; I408-C454 HydrophobicContact CG2-CB 4.3Å; I408-C454 VanDerWaalsContact CG2-SG 3.54Å
409A94Very high92.6Very high6 Ų629.2 Ų29.25%0.0515%0.15CC..Hα-helixtrans-64.3-47.1176.300000111.2P405 D407 R412 D413 I459 L468P405-A409 WeakPolarHBondContact O-CB 3.48Å; P405-A409 PolarHBondContact O-N 2.92Å; P405-A409 VanDerWaalsContact O-N 3.1Å; D407-A409 VanDerWaalsContact C-N 3.34Å; D407-A409 PolarHBondContact O-N 3.44Å; A409-R412 PolarHBondContact O-N 3.46Å; A409-D413 WeakPolarHBondContact O-CB 3.46Å; A409-D413 PolarHBondContact O-N 3.32Å; A409-I459 HydrophobicContact CB-CG2 4.17Å; A409-L468 HydrophobicContact CB-CD1 4.41Å; A409-L468 HydrophobicContact CB-CD2 3.9Å
410A93.4Very high92.2Very high1 Ų130.7 Ų30.71%0.00816%0.158CC..Hα-helixtrans-64.8-42177.100000112.3W314 M385 D406 D407 D413 I414 Q462W314-A410 HydrophobicContact CH2-CB 3.69Å; W314-A410 HydrophobicContact CZ2-CB 3.67Å; W314-A410 HydrophobicContact CZ3-CB 4.18Å; M385-A410 HydrophobicContact CG-CB 4.39Å; D406-A410 WeakPolarHBondContact O-CB 3.17Å; D406-A410 PolarHBondContact O-N 3.46Å; D407-A410 PolarHBondContact O-N 3.21Å; A410-D413 WeakPolarHBondContact O-CB 3Å; A410-D413 PolarHBondContact O-N 3.17Å; A410-I414 WeakPolarHBondContact O-CG2 3.4Å; A410-I414 PolarHBondContact O-N 2.88Å; A410-I414 VanDerWaalsContact O-N 3.08Å; A410-Q462 HydrophobicContact CB-CB 4.24Å
411L94.2Very high91.9Very high2 Ų231.4 Ų31.41%0.0116%0.16CC..Hα-helixtrans-63.8-42.9177.2-175.461000111.9W314 P401 D407 D413 I414 K415 V431W314-L411 HydrophobicContact CH2-CB 4.28Å; W314-L411 HydrophobicContact CZ2-CB 4.32Å; P401-L411 HydrophobicContact CB-CD2 4Å; P401-L411 HydrophobicContact CG-CD2 3.84Å; D407-L411 VanDerWaalsContact O-CB 3.25Å; D407-L411 WeakPolarHBondContact O-CB 3.27Å; D407-L411 PolarHBondContact O-N 3.06Å; L411-D413 VanDerWaalsContact C-N 3.35Å; L411-I414 HydrophobicContact CD1-CG2 4.29Å; L411-I414 WeakPolarHBondContact O-CG2 3.23Å; L411-I414 PolarHBondContact O-N 2.99Å; L411-K415 WeakPolarHBondContact O-CB 3.42Å; L411-K415 WeakPolarHBondContact O-CG 3.35Å; L411-K415 PolarHBondContact O-N 2.68Å; L411-V431 HydrophobicContact CD1-CG1 4.28Å
412R93.7Very high91.6Very high56 Ų5637.6 Ų37.621%0.21119%0.189CC..Hα-helixtrans-65.1-38.6174.6-75.2173.2173.5-171.5-4.7111.9I408 A409 K415 K416 D455I408-R412 HydrophobicContact CD1-CG 4.02Å; I408-R412 HydrophobicContact CG1-CG 4.27Å; I408-R412 VanDerWaalsContact O-CB 3.29Å; I408-R412 WeakPolarHBondContact O-CB 3.29Å; I408-R412 VanDerWaalsContact O-CG 3.24Å; I408-R412 WeakPolarHBondContact O-CG 3.31Å; I408-R412 PolarHBondContact O-N 3.44Å; A409-R412 PolarHBondContact O-N 3.46Å; R412-K415 PolarHBondContact O-N 3.2Å; R412-K416 WeakPolarHBondContact O-CB 3.48Å; R412-K416 VanDerWaalsContact O-CG 3.25Å; R412-K416 WeakPolarHBondContact O-CG 3.41Å; R412-K416 PolarHBondContact O-N 3.44Å; R412-D455 IonicContact CZ-OD1 2.77Å; R412-D455 VanDerWaalsContact CZ-OD1 3.32Å; R412-D455 IonicContact CZ-OD2 2.81Å; R412-D455 IonicContact NH1-OD1 4Å; R412-D455 PolarHBondContact NH1-OD1 3.05Å; R412-D455 IonicContact NH1-OD2 3.24Å; R412-D455 IonicContact NH2-OD1 3.66Å; R412-D455 PolarHBondContact NH2-OD1 2.74Å; R412-D455 IonicContact NH2-OD2 2.72Å; R412-D455 PolarHBondContact NH2-OD2 2.94Å
413D90.5Very high91.4Very high3 Ų344.5 Ų44.52%0.01622%0.219CC..Hα-helixtrans-59.7-47.7176.9-103.4-25.7000111.7A409 A410 L411 K416 K417 S461 Q462A409-D413 WeakPolarHBondContact O-CB 3.46Å; A409-D413 PolarHBondContact O-N 3.32Å; A410-D413 WeakPolarHBondContact O-CB 3Å; A410-D413 PolarHBondContact O-N 3.17Å; L411-D413 VanDerWaalsContact C-N 3.35Å; D413-K416 PolarHBondContact O-N 2.79Å; D413-K417 WeakPolarHBondContact O-CB 3.41Å; D413-K417 PolarHBondContact O-N 3.44Å; D413-K417 IonicContact OD1-NZ 2.79Å; D413-K417 PolarHBondContact OD1-NZ 2.97Å; D413-S461 VanDerWaalsContact OD2-CA 3.25Å; D413-S461 WeakPolarHBondContact OD2-CA 3.28Å; D413-S461 PolarHBondContact OD2-OG 3.32Å; D413-Q462 WeakPolarHBondContact OD2-CG 3.35Å; D413-Q462 PolarHBondContact OD2-N 3.43Å; D413-Q462 PolarHBondContact OD2-NE2 3.46Å
414I90.7Very high91.2Very high1 Ų145.6 Ų45.61%0.00522%0.223CC..Hα-helixtrans-72.6-32.7179.8-167164000112.6L383 P384 A410 L411 L420 R421 I426 V431L383-I414 HydrophobicContact CD2-CD1 4.39Å; P384-I414 HydrophobicContact CG-CD1 3.92Å; A410-I414 WeakPolarHBondContact O-CG2 3.4Å; A410-I414 PolarHBondContact O-N 2.88Å; A410-I414 VanDerWaalsContact O-N 3.08Å; L411-I414 HydrophobicContact CD1-CG2 4.29Å; L411-I414 WeakPolarHBondContact O-CG2 3.23Å; L411-I414 PolarHBondContact O-N 2.99Å; I414-L420 HydrophobicContact CB-CD2 3.93Å; I414-L420 HydrophobicContact CD1-CD2 3.95Å; I414-L420 HydrophobicContact CG1-CD2 3.75Å; I414-R421 HydrophobicContact CD1-CG 4.38Å; I414-R421 HydrophobicContact CG1-CG 3.7Å; I414-R421 PolarHBondContact O-NE 3.05Å; I414-I426 HydrophobicContact CD1-CG1 4.47Å; I414-I426 HydrophobicContact CD1-CG2 4.33Å; I414-V431 HydrophobicContact CB-CG1 4.5Å; I414-V431 HydrophobicContact CD1-CG2 4.1Å; I414-V431 HydrophobicContact CG1-CG1 4.36Å; I414-V431 HydrophobicContact CG1-CG2 4.24Å; I414-V431 HydrophobicContact CG2-CG1 3.63Å
415K91.6Very high91Very high38 Ų3847 Ų4717%0.16524%0.241CC..Hα-helixtrans-63.3-47.3170.9-78.3-173.3177.5-172.50111.3L411 R412 R421 V431 L432 F434 E435L411-K415 WeakPolarHBondContact O-CB 3.42Å; L411-K415 WeakPolarHBondContact O-CG 3.35Å; L411-K415 PolarHBondContact O-N 2.68Å; R412-K415 PolarHBondContact O-N 3.2Å; K415-R421 PolarHBondContact O-NH2 3.03Å; K415-V431 VanDerWaalsContact CE-O 3.31Å; K415-V431 WeakPolarHBondContact CE-O 3.31Å; K415-V431 HydrophobicContact CG-CG1 3.67Å; K415-L432 HydrophobicContact CG-CD2 4.28Å; K415-F434 WeakPolarHBondContact CE-O 3.43Å; K415-F434 PolarHBondContact NZ-O 3.14Å; K415-E435 IonicContact NZ-OE1 3.45Å; K415-E435 PolarHBondContact NZ-OE1 3.49Å; K415-E435 IonicContact NZ-OE2 2.75Å; K415-E435 PolarHBondContact NZ-OE2 2.99Å
416K89.2Confident90.8Very high141 Ų14147.3 Ų47.361%0.61324%0.242SC*.Hα-helixtrans-70.9-42.4-176.8-73.4176.1-179179.90113.5R412 D413R412-K416 WeakPolarHBondContact O-CB 3.48Å; R412-K416 VanDerWaalsContact O-CG 3.25Å; R412-K416 WeakPolarHBondContact O-CG 3.41Å; R412-K416 PolarHBondContact O-N 3.44Å; D413-K416 PolarHBondContact O-N 2.79Å
417K88.3Confident90.8Very high94 Ų9450.2 Ų50.241%0.40925%0.254SS..  trans-99.695-170-65.6167.51791540111.2D413 A419 L420D413-K417 WeakPolarHBondContact O-CB 3.41Å; D413-K417 PolarHBondContact O-N 3.44Å; D413-K417 IonicContact OD1-NZ 2.79Å; D413-K417 PolarHBondContact OD1-NZ 2.97Å; K417-A419 PolarHBondContact O-N 3.39Å; K417-L420 HydrophobicContact CB-CB 4.04Å; K417-L420 WeakPolarHBondContact O-CB 3.42Å; K417-L420 PolarHBondContact O-N 2.94Å
418Q88.9Confident90.6Very high113 Ų11353.4 Ų53.453%0.52827%0.271SS..Hα-helixtrans-56.4-38.4175.1-176.7173.1-13.800112.6L420 R421 E422Q418-L420 PolarHBondContact O-N 3.24Å; Q418-L420 VanDerWaalsContact O-N 3.11Å; Q418-R421 WeakPolarHBondContact O-CA 3.42Å; Q418-R421 WeakPolarHBondContact O-CB 3.34Å; Q418-R421 PolarHBondContact O-N 3.49Å; Q418-E422 HydrophobicContact CG-CG 4.31Å; Q418-E422 WeakPolarHBondContact CG-OE1 3.35Å; Q418-E422 PolarHBondContact NE2-OE1 2.92Å; Q418-E422 PolarHBondContact O-N 3.26Å
419A87.4Confident90.4Very high72 Ų7258.4 Ų58.460%0.59529%0.293SS*.Hα-helixtrans-56.6-29.5175.500000113.6K417 K423K417-A419 PolarHBondContact O-N 3.39Å; A419-K423 WeakPolarHBondContact O-CB 3.34Å; A419-K423 PolarHBondContact O-N 2.93Å
420L86.4Confident90.3Very high30 Ų3058.8 Ų58.816%0.15729%0.294CS..Hα-helixtrans-74.7-36.4177.1-162.2127.3000111.4P384 I414 K417 Q418 Y424P384-L420 HydrophobicContact CG-CD2 4.15Å; I414-L420 HydrophobicContact CB-CD2 3.93Å; I414-L420 HydrophobicContact CD1-CD2 3.95Å; I414-L420 HydrophobicContact CG1-CD2 3.75Å; K417-L420 HydrophobicContact CB-CB 4.04Å; K417-L420 WeakPolarHBondContact O-CB 3.42Å; K417-L420 PolarHBondContact O-N 2.94Å; Q418-L420 PolarHBondContact O-N 3.24Å; Q418-L420 VanDerWaalsContact O-N 3.11Å; L420-Y424 HydrophobicContact CD2-CD2 4.32Å; L420-Y424 HydrophobicContact CD2-CE2 4.47Å; L420-Y424 HydrophobicContact CG-CD2 4.16Å; L420-Y424 HydrophobicContact CG-CE2 4.07Å; L420-Y424 VanDerWaalsContact O-CD2 3.23Å; L420-Y424 WeakPolarHBondContact O-CD2 3.45Å; L420-Y424 PolarHBondContact O-N 2.94Å
421R91.2Very high90.2Very high19 Ų1958.7 Ų58.77%0.07229%0.293CS..Hα-helixtrans-65.1-47.6172.7-75.8177.6-91.1154.3-2.5111.2I414 K415 Q418 Y424 G425 I426 D428I414-R421 HydrophobicContact CD1-CG 4.38Å; I414-R421 HydrophobicContact CG1-CG 3.7Å; I414-R421 PolarHBondContact O-NE 3.05Å; K415-R421 PolarHBondContact O-NH2 3.03Å; Q418-R421 WeakPolarHBondContact O-CA 3.42Å; Q418-R421 WeakPolarHBondContact O-CB 3.34Å; Q418-R421 PolarHBondContact O-N 3.49Å; R421-Y424 PolarHBondContact O-N 3.37Å; R421-G425 PolarHBondContact O-N 3.26Å; R421-I426 HydrophobicContact CB-CB 4.42Å; R421-I426 HydrophobicContact CG-CB 4.42Å; R421-I426 HydrophobicContact CG-CG2 4.43Å; R421-I426 PolarHBondContact O-N 2.84Å; R421-D428 IonicContact CZ-OD1 2.82Å; R421-D428 IonicContact NH1-OD1 3.65Å; R421-D428 PolarHBondContact NH1-OD1 3.18Å; R421-D428 IonicContact NH1-OD2 3.49Å; R421-D428 PolarHBondContact NH1-OD2 2.91Å
422E89.5Confident90.1Very high129 Ų12962.1 Ų62.160%0.60331%0.311SS*.Hα-helixtrans-63.1-46178.7-70.6172.4-177.200112.3Q418 Y424 G425Q418-E422 HydrophobicContact CG-CG 4.31Å; Q418-E422 WeakPolarHBondContact CG-OE1 3.35Å; Q418-E422 PolarHBondContact NE2-OE1 2.92Å; Q418-E422 PolarHBondContact O-N 3.26Å; E422-Y424 PolarHBondContact O-N 3.19Å; E422-G425 PolarHBondContact O-N 3.38Å
423K89.3Confident90.1Very high145 Ų14563.3 Ų63.363%0.6333%0.326SS*.Hα-helixtrans-55.3-39.5179.2-179-178.9-179.4-170.60112.8A419A419-K423 WeakPolarHBondContact O-CB 3.34Å; A419-K423 PolarHBondContact O-N 2.93Å
424Y88.4Confident90.3Very high26 Ų2663.8 Ų63.810%0.10233%0.328CS..Hα-helixtrans-101.41.7-175.9-64.4-59.3000113.8P317 L366 P384 L420 R421 E422P317-Y424 HydrophobicContact CB-CD1 4.15Å; P317-Y424 HydrophobicContact CB-CE1 3.74Å; P317-Y424 HydrophobicContact CG-CD1 4.09Å; P317-Y424 HydrophobicContact CG-CE1 3.7Å; L366-Y424 HydrophobicContact CD1-CD1 3.93Å; L366-Y424 HydrophobicContact CD1-CG 4.04Å; P384-Y424 HydrophobicContact CB-CD2 3.86Å; P384-Y424 HydrophobicContact CB-CE2 4.17Å; P384-Y424 HydrophobicContact CB-CG 4.16Å; P384-Y424 HydrophobicContact CG-CD2 3.62Å; P384-Y424 HydrophobicContact CG-CE2 4.28Å; P384-Y424 HydrophobicContact CG-CG 4.07Å; L420-Y424 HydrophobicContact CD2-CD2 4.32Å; L420-Y424 HydrophobicContact CD2-CE2 4.47Å; L420-Y424 HydrophobicContact CG-CD2 4.16Å; L420-Y424 HydrophobicContact CG-CE2 4.07Å; L420-Y424 VanDerWaalsContact O-CD2 3.23Å; L420-Y424 WeakPolarHBondContact O-CD2 3.45Å; L420-Y424 PolarHBondContact O-N 2.94Å; R421-Y424 PolarHBondContact O-N 3.37Å; E422-Y424 PolarHBondContact O-N 3.19Å
425G87.3Confident90.5Very high56 Ų5668.8 Ų68.858%0.57735%0.351SS*.THydrogen-bonded Turntrans67.835.6179.200000113.8R421 E422R421-G425 PolarHBondContact O-N 3.26Å; E422-G425 PolarHBondContact O-N 3.38Å
426I91.7Very high90.6Very high8 Ų868.1 Ų68.14%0.04135%0.351CS..  trans-94.3126.3178.3-58.3-59.4000109.4L366 L383 I414 R421 M430 V431L366-I426 HydrophobicContact CB-CD1 4.02Å; L383-I426 HydrophobicContact CD2-CD1 4.11Å; L383-I426 HydrophobicContact CD2-CG1 4.43Å; L383-I426 HydrophobicContact CD2-CG2 3.73Å; I414-I426 HydrophobicContact CD1-CG1 4.47Å; I414-I426 HydrophobicContact CD1-CG2 4.33Å; R421-I426 HydrophobicContact CB-CB 4.42Å; R421-I426 HydrophobicContact CG-CB 4.42Å; R421-I426 HydrophobicContact CG-CG2 4.43Å; R421-I426 PolarHBondContact O-N 2.84Å; I426-M430 HydrophobicContact CG2-CB 4.03Å; I426-M430 HydrophobicContact CG2-SD 4.16Å; I426-V431 HydrophobicContact CG2-CG2 3.46Å; I426-V431 VanDerWaalsContact CG2-CG2 3.46Å
427E91.2Very high90.8Very high97 Ų9762.6 Ų62.645%0.45333%0.329SS..  trans-83.2153.9177.8-62.3175.8-14300112.2K429 M430E427-K429 VanDerWaalsContact C-N 3.26Å; E427-K429 HydrophobicContact CB-CG 4.15Å; E427-K429 PolarHBondContact O-N 3.42Å; E427-K429 IonicContact OE1-NZ 3.32Å; E427-K429 VanDerWaalsContact OE2-CD 3.32Å; E427-K429 WeakPolarHBondContact OE2-CD 3.29Å; E427-K429 WeakPolarHBondContact OE2-CE 3.4Å; E427-K429 IonicContact OE2-NZ 2.78Å; E427-K429 PolarHBondContact OE2-NZ 3.33Å; E427-M430 HydrophobicContact CB-CE 4Å; E427-M430 HydrophobicContact CB-CG 4.16Å; E427-M430 HydrophobicContact CB-SD 4.12Å; E427-M430 HydrophobicContact CG-CE 3.93Å; E427-M430 PolarHBondContact N-SD 3.17Å; E427-M430 VanDerWaalsContact O-CB 3.25Å; E427-M430 WeakPolarHBondContact O-CB 3.42Å; E427-M430 PolarHBondContact O-N 2.87Å
428D91Very high91.1Very high79 Ų7961 Ų6142%0.42233%0.328SS..G310 helixtrans-58.8-35.4-179.2-77.213.2000113.5R421 M430 V431 L432 P433R421-D428 IonicContact CZ-OD1 2.82Å; R421-D428 IonicContact NH1-OD1 3.65Å; R421-D428 PolarHBondContact NH1-OD1 3.18Å; R421-D428 IonicContact NH1-OD2 3.49Å; R421-D428 PolarHBondContact NH1-OD2 2.91Å; D428-M430 PolarHBondContact O-N 2.81Å; D428-M430 VanDerWaalsContact O-N 3.13Å; D428-V431 PolarHBondContact O-N 3.24Å; D428-V431 VanDerWaalsContact O-N 3.11Å; D428-L432 HydrophobicContact CB-CD1 3.76Å; D428-L432 HydrophobicContact CB-CG 4.12Å; D428-L432 PolarHBondContact O-N 3.02Å; D428-P433 WeakPolarHBondContact O-CD 3.31Å
429K91.3Very high91.3Very high111 Ų11155.7 Ų55.748%0.48330%0.304SS..G310 helixtrans-60.2-22.1175.276.7-171.6-171.5-150.20113.2E427E427-K429 VanDerWaalsContact C-N 3.26Å; E427-K429 HydrophobicContact CB-CG 4.15Å; E427-K429 PolarHBondContact O-N 3.42Å; E427-K429 IonicContact OE1-NZ 3.32Å; E427-K429 VanDerWaalsContact OE2-CD 3.32Å; E427-K429 WeakPolarHBondContact OE2-CD 3.29Å; E427-K429 WeakPolarHBondContact OE2-CE 3.4Å; E427-K429 IonicContact OE2-NZ 2.78Å; E427-K429 PolarHBondContact OE2-NZ 3.33Å
430M91.6Very high91.6Very high13 Ų1352.3 Ų52.36%0.06428%0.275CS..G310 helixtrans-85.5-10-178.4-54.7173.5179.300112.9Y381 L383 I426 E427 D428 F434Y381-M430 HydrophobicContact CD1-CB 4.23Å; Y381-M430 HydrophobicContact CD1-CG 3.79Å; Y381-M430 HydrophobicContact CD1-SD 4.29Å; Y381-M430 HydrophobicContact CD2-CB 3.78Å; Y381-M430 HydrophobicContact CD2-CG 4.08Å; Y381-M430 HydrophobicContact CE1-CG 3.94Å; Y381-M430 HydrophobicContact CE2-CB 4.25Å; Y381-M430 HydrophobicContact CE2-CG 4.21Å; Y381-M430 HydrophobicContact CG-CB 3.76Å; Y381-M430 HydrophobicContact CG-CG 3.86Å; L383-M430 HydrophobicContact CD2-CB 4.49Å; I426-M430 HydrophobicContact CG2-CB 4.03Å; I426-M430 HydrophobicContact CG2-SD 4.16Å; E427-M430 HydrophobicContact CB-CE 4Å; E427-M430 HydrophobicContact CB-CG 4.16Å; E427-M430 HydrophobicContact CB-SD 4.12Å; E427-M430 HydrophobicContact CG-CE 3.93Å; E427-M430 PolarHBondContact N-SD 3.17Å; E427-M430 VanDerWaalsContact O-CB 3.25Å; E427-M430 WeakPolarHBondContact O-CB 3.42Å; E427-M430 PolarHBondContact O-N 2.87Å; D428-M430 PolarHBondContact O-N 2.81Å; D428-M430 VanDerWaalsContact O-N 3.13Å; M430-F434 WeakPolarHBondContact O-CD2 3.47Å; M430-F434 WeakPolarHBondContact O-CE2 3.45Å
431V91.9Very high91.9Very high0 Ų055.2 Ų55.20%029%0.288CS..THydrogen-bonded Turntrans-134.5-51.2-169.9-1780000112.5L383 L411 I414 K415 I426 D428 F434L383-V431 HydrophobicContact CD1-CG2 4.01Å; L383-V431 HydrophobicContact CD2-CG2 3.88Å; L411-V431 HydrophobicContact CD1-CG1 4.28Å; I414-V431 HydrophobicContact CB-CG1 4.5Å; I414-V431 HydrophobicContact CD1-CG2 4.1Å; I414-V431 HydrophobicContact CG1-CG1 4.36Å; I414-V431 HydrophobicContact CG1-CG2 4.24Å; I414-V431 HydrophobicContact CG2-CG1 3.63Å; K415-V431 VanDerWaalsContact CE-O 3.31Å; K415-V431 WeakPolarHBondContact CE-O 3.31Å; K415-V431 HydrophobicContact CG-CG1 3.67Å; I426-V431 HydrophobicContact CG2-CG2 3.46Å; I426-V431 VanDerWaalsContact CG2-CG2 3.46Å; D428-V431 PolarHBondContact O-N 3.24Å; D428-V431 VanDerWaalsContact O-N 3.11Å; V431-F434 PolarHBondContact O-N 3.16Å
432L91.6Very high91.9Very high73 Ų7354.3 Ų54.338%0.38229%0.285SS..THydrogen-bonded Turntrans-64.6-40.2-170.8-57.2-174.6000113.7K415 D428 F434K415-L432 HydrophobicContact CG-CD2 4.28Å; D428-L432 HydrophobicContact CB-CD1 3.76Å; D428-L432 HydrophobicContact CB-CG 4.12Å; D428-L432 PolarHBondContact O-N 3.02Å; L432-F434 PolarHBondContact O-N 3.24Å
433P94Very high91.8Very high81 Ų8151.3 Ų51.353%0.52628%0.276SS..THydrogen-bonded Turntrans-69.7-13.4-179.5-21.835.1000115.1D428 E435D428-P433 WeakPolarHBondContact O-CD 3.31Å; P433-E435 PolarHBondContact O-N 2.72Å
434F94.3Very high91.6Very high13 Ų1348 Ų486%0.05728%0.283CS..  trans-92.4105-172.9-62.9-76.7000110.9T311 Y377 I379 I380 Y381 K415 M430 V431 L432T311-F434 HydrophobicContact CG2-CB 4.45Å; T311-F434 WeakPolarHBondContact O-CD1 3.49Å; Y377-F434 AromaticContact CD1-CD1 3.79Å; Y377-F434 HydrophobicContact CD1-CD1 3.79Å; Y377-F434 AromaticContact CD1-CE1 3.79Å; Y377-F434 HydrophobicContact CD1-CE1 3.79Å; Y377-F434 HydrophobicContact CD2-CD1 4.13Å; Y377-F434 AromaticContact CE1-CD1 3.81Å; Y377-F434 HydrophobicContact CE1-CD1 3.81Å; Y377-F434 HydrophobicContact CE1-CE1 4.23Å; Y377-F434 HydrophobicContact CE2-CD1 4.15Å; Y377-F434 AromaticContact CG-CD1 3.95Å; Y377-F434 HydrophobicContact CG-CD1 3.95Å; Y377-F434 AromaticContact CG-CE1 3.96Å; Y377-F434 HydrophobicContact CG-CE1 3.96Å; Y377-F434 AromaticContact CZ-CD1 4Å; I379-F434 WeakPolarHBondContact O-CE1 3.35Å; I379-F434 WeakPolarHBondContact O-CZ 3.26Å; I380-F434 HydrophobicContact CG2-CE1 4.4Å; Y381-F434 AromaticContact CD2-CE2 3.65Å; Y381-F434 HydrophobicContact CD2-CE2 3.65Å; Y381-F434 AromaticContact CD2-CZ 3.76Å; Y381-F434 HydrophobicContact CD2-CZ 3.76Å; Y381-F434 AromaticContact CE2-CE2 3.87Å; Y381-F434 HydrophobicContact CE2-CE2 3.87Å; Y381-F434 AromaticContact CE2-CZ 3.8Å; Y381-F434 HydrophobicContact CE2-CZ 3.8Å; K415-F434 WeakPolarHBondContact CE-O 3.43Å; K415-F434 PolarHBondContact NZ-O 3.14Å; M430-F434 WeakPolarHBondContact O-CD2 3.47Å; M430-F434 WeakPolarHBondContact O-CE2 3.45Å; V431-F434 PolarHBondContact O-N 3.16Å; L432-F434 PolarHBondContact O-N 3.24Å
435E93.9Very high91.4Very high107 Ų10748.2 Ų48.250%0.529%0.285SS..PPolyproline II helixtrans-101.1154172.2-65-55.7151.300111.9T311 Y377 K415 P433 V437T311-E435 WeakPolarHBondContact CG2-O 3.4Å; Y377-E435 PolarHBondContact OH-N 3.37Å; Y377-E435 VanDerWaalsContact OH-N 3.16Å; Y377-E435 PolarHBondContact OH-O 3.21Å; Y377-E435 VanDerWaalsContact OH-O 3.1Å; K415-E435 IonicContact NZ-OE1 3.45Å; K415-E435 PolarHBondContact NZ-OE1 3.49Å; K415-E435 IonicContact NZ-OE2 2.75Å; K415-E435 PolarHBondContact NZ-OE2 2.99Å; P433-E435 PolarHBondContact O-N 2.72Å; E435-V437 PolarHBondContact O-N 3.27Å
436P94.8Very high91.5Very high24 Ų2446.7 Ų46.716%0.15627%0.27CS..PPolyproline II helixtrans-56.6134.3175.6-23.934.4000112.5P401 I408 L448 P451P401-P436 HydrophobicContact CB-CB 4.38Å; P401-P436 HydrophobicContact CB-CG 4.15Å; P401-P436 HydrophobicContact CG-CB 4.12Å; P401-P436 HydrophobicContact CG-CG 4.14Å; I408-P436 HydrophobicContact CD1-CG 3.81Å; P436-L448 HydrophobicContact CB-CD2 3.92Å; P436-P451 HydrophobicContact CG-CG 4.47Å
437V93.9Very high91.4Very high24 Ų2450 Ų5015%0.14529%0.288CS..PPolyproline II helixtrans-100123.3-176.7-178.30000109.5Y377 S402 E435 I439Y377-V437 HydrophobicContact CD2-CG2 4.32Å; Y377-V437 HydrophobicContact CE2-CG2 3.58Å; S402-V437 WeakPolarHBondContact CB-O 3.28Å; S402-V437 PolarHBondContact OG-O 3.42Å; E435-V437 PolarHBondContact O-N 3.27Å; V437-I439 HydrophobicContact CG1-CG2 4.12Å; V437-I439 PolarHBondContact O-N 3.27Å
438P93.5Very high91.5Very high62 Ų6248.1 Ų48.140%0.40328%0.28SS..PPolyproline II helixtrans-72118.1179.128.7-33.1000110.8N447 L448 L486P438-N447 HydrophobicContact CB-CB 3.98Å; P438-L448 HydrophobicContact CB-CD2 4.39Å; P438-L486 HydrophobicContact CB-CD1 4.34Å
439I94.1Very high91.6Very high1 Ų144.4 Ų44.41%0.00526%0.26CS..  trans-126.3-32.2-17657.3176.5000113.6T306 F308 V400 D403 V437 L486 V487T306-I439 HydrophobicContact CG2-CD1 4.25Å; T306-I439 VanDerWaalsContact O-CD1 3.24Å; T306-I439 WeakPolarHBondContact O-CD1 3.41Å; F308-I439 HydrophobicContact CB-CG2 3.8Å; V400-I439 HydrophobicContact CG1-CD1 3.74Å; D403-I439 WeakPolarHBondContact OD2-CD1 3.48Å; D403-I439 WeakPolarHBondContact OD2-CG1 3.29Å; V437-I439 HydrophobicContact CG1-CG2 4.12Å; V437-I439 PolarHBondContact O-N 3.27Å; I439-L486 PolarHBondContact O-N 3.08Å; I439-V487 HydrophobicContact CB-CG2 4.15Å; I439-V487 HydrophobicContact CG2-CG2 4.1Å
440I92.7Very high91.6Very high0 Ų039.1 Ų39.10%024%0.237CC..EExtended strand (participates in β ladder)trans-130.3133-179.7-64.3166.1000107.5E305 T306 I442 I484 M485 V495E305-I440 HydrophobicContact CG-CD1 4.13Å; T306-I440 HydrophobicContact CG2-CD1 3.84Å; I440-I442 HydrophobicContact CG2-CG1 4.04Å; I440-I484 CarbonylContact C-O 3.55Å; I440-I484 WeakPolarHBondContact CA-O 3.33Å; I440-M485 HydrophobicContact CD1-SD 4.28Å; I440-M485 HydrophobicContact CG1-SD 3.74Å; I440-V495 HydrophobicContact CD1-CG2 3.85Å; I440-V495 HydrophobicContact CG1-CG2 4.04Å; I440-V495 HydrophobicContact CG2-CG2 4.03Å
441E92.9Very high91.8Very high92 Ų9239 Ų3943%0.4324%0.237SC..EExtended strand (participates in β ladder)trans-100.6121.2168.6-175.7168.8-162.600109.1G446 I484 L486E441-G446 WeakPolarHBondContact CA-O 3.35Å; E441-I484 PolarHBondContact N-O 3.31Å; E441-I484 PolarHBondContact O-N 3.02Å; E441-L486 HydrophobicContact CB-CD1 4.14Å; E441-L486 HydrophobicContact CB-CD2 3.95Å; E441-L486 HydrophobicContact CB-CG 4.17Å
442I92Very high91.8Very high0 Ų042.1 Ų42.10%025%0.254CS..BIsolated β-bridgetrans-102.9120.1174.1-52.9179.9000107.9I440 G444 F445 G446 V475 K478 G479I440-I442 HydrophobicContact CG2-CG1 4.04Å; I442-G444 PolarHBondContact O-N 2.89Å; I442-F445 HydrophobicContact CB-CB 4.34Å; I442-F445 HydrophobicContact CB-CD2 4.19Å; I442-F445 HydrophobicContact CG2-CD2 3.77Å; I442-F445 HydrophobicContact CG2-CE2 4.49Å; I442-F445 PolarHBondContact O-N 3.05Å; I442-G446 PolarHBondContact N-O 3.24Å; I442-G446 PolarHBondContact O-N 3.41Å; I442-V475 HydrophobicContact CD1-CG1 4.11Å; I442-K478 HydrophobicContact CG2-CB 3.89Å; I442-G479 VanDerWaalsContact CD1-CA 3.46Å
443P85.9Confident91.9Very high65 Ų6538.7 Ų38.742%0.42224%0.236SC..THydrogen-bonded Turntrans-51124174.9-28.636.1000111.9E482P443-E482 WeakPolarHBondContact CD-O 3.46Å; P443-E482 HydrophobicContact CG-CB 4.39Å
444G84.7Confident91.8Very high76 Ų7635 Ų3578%0.78421%0.212SC*.THydrogen-bonded Turntrans89.9-13.9-176.700000115.9I442I442-G444 PolarHBondContact O-N 2.89Å
445F85.6Confident91.7Very high30 Ų3038.6 Ų38.613%0.13223%0.232CC..THydrogen-bonded Turntrans-118.3-15.2172.8-57.5-53.8000114.1I442 L452 V453 K478I442-F445 HydrophobicContact CB-CB 4.34Å; I442-F445 HydrophobicContact CB-CD2 4.19Å; I442-F445 HydrophobicContact CG2-CD2 3.77Å; I442-F445 HydrophobicContact CG2-CE2 4.49Å; I442-F445 PolarHBondContact O-N 3.05Å; F445-L452 HydrophobicContact CB-CD2 4.21Å; F445-L452 HydrophobicContact CD1-CD2 4.35Å; F445-L452 WeakPolarHBondContact O-CD2 3.15Å; F445-V453 HydrophobicContact CD1-CG2 3.78Å; F445-V453 HydrophobicContact CE1-CG2 3.77Å; F445-V453 HydrophobicContact CG-CG2 4.27Å; F445-V453 HydrophobicContact CZ-CG2 4.23Å; F445-K478 HydrophobicContact CD2-CD 4.4Å; F445-K478 HydrophobicContact CE2-CB 4.41Å; F445-K478 HydrophobicContact CE2-CD 3.48Å; F445-K478 VanDerWaalsContact CE2-CD 3.48Å; F445-K478 HydrophobicContact CZ-CD 4.04Å
446G89.5Confident91.6Very high25 Ų2539.2 Ų39.226%0.25824%0.235SC..BIsolated β-bridgetrans79.9-158.9179.600000113.5E441 I442E441-G446 WeakPolarHBondContact CA-O 3.35Å; I442-G446 PolarHBondContact N-O 3.24Å; I442-G446 PolarHBondContact O-N 3.41Å
447N90.1Very high91.5Very high78 Ų7839.7 Ų39.742%0.41724%0.236SC..SBendtrans-87.3-8.8-172.562.3-11.2000114.9P438 L486P438-N447 HydrophobicContact CB-CB 3.98Å; N447-L486 HydrophobicContact CB-CD1 3.81Å
448L92.8Very high91.5Very high57 Ų5746.1 Ų46.130%0.29826%0.262SS..  trans-127.967.8175.2-69-179.6000108.6P436 P438 A450 P451 L452P436-L448 HydrophobicContact CB-CD2 3.92Å; P438-L448 HydrophobicContact CB-CD2 4.39Å; L448-A450 PolarHBondContact O-N 3.33Å; L448-P451 HydrophobicContact CB-CB 4.32Å; L448-P451 HydrophobicContact CB-CG 4.02Å; L448-P451 WeakPolarHBondContact O-CD 3.46Å; L448-L452 PolarHBondContact O-N 2.93Å
449S91.9Very high91.4Very high0 Ų043.7 Ų43.70%025%0.245CC..Hα-helixtrans-62.8-44.3-171.162.60000113.2S402 D403 V453 V475S402-S449 PolarHBondContact O-N 2.89Å; S402-S449 PolarHBondContact O-OG 3.25Å; D403-S449 PolarHBondContact OD1-OG 2.73Å; D403-S449 VanDerWaalsContact OD1-OG 3.04Å; S449-V453 WeakPolarHBondContact O-CG2 3.25Å; S449-V453 PolarHBondContact O-N 3.33Å; S449-V475 WeakPolarHBondContact OG-CG1 3.34Å
450A92.8Very high91.1Very high0 Ų050.6 Ų50.60%028%0.277CS..Hα-helixtrans-70-46.3179.300000113.1S402 P405 I408 L448 L452 V453 C454S402-A450 WeakPolarHBondContact O-CB 3.37Å; S402-A450 PolarHBondContact O-N 2.82Å; P405-A450 HydrophobicContact CG-CB 4.14Å; I408-A450 HydrophobicContact CG2-CB 4.18Å; L448-A450 PolarHBondContact O-N 3.33Å; A450-L452 VanDerWaalsContact C-N 3.35Å; A450-L452 PolarHBondContact O-N 3.47Å; A450-V453 PolarHBondContact O-N 3.36Å; A450-C454 VanDerWaalsContact O-CB 3.29Å; A450-C454 WeakPolarHBondContact O-CB 3.32Å; A450-C454 PolarHBondContact O-N 2.84Å; A450-C454 PolarHBondContact O-SG 3.15Å
451P94.5Very high90.8Very high11 Ų1151.4 Ų51.47%0.07128%0.283CS..Hα-helixtrans-55.2-46.3174.2-29.336.3000113.3P401 S402 I408 P436 L448 C454 D455P401-P451 VanDerWaalsContact O-CD 3.32Å; P401-P451 WeakPolarHBondContact O-CD 3.46Å; P401-P451 WeakPolarHBondContact O-CG 3.32Å; S402-P451 VanDerWaalsContact O-CD 3.31Å; S402-P451 WeakPolarHBondContact O-CD 3.25Å; I408-P451 HydrophobicContact CD1-CG 4.22Å; I408-P451 HydrophobicContact CG1-CB 4.35Å; I408-P451 HydrophobicContact CG1-CG 4.04Å; P436-P451 HydrophobicContact CG-CG 4.47Å; L448-P451 HydrophobicContact CB-CB 4.32Å; L448-P451 HydrophobicContact CB-CG 4.02Å; L448-P451 WeakPolarHBondContact O-CD 3.46Å; P451-C454 PolarHBondContact O-N 3.38Å; P451-D455 WeakPolarHBondContact O-CB 3.45Å; P451-D455 VanDerWaalsContact O-CG 3.29Å; P451-D455 PolarHBondContact O-N 3.34Å; P451-D455 VanDerWaalsContact O-OD2 3.13Å
452L93.1Very high90.4Very high66 Ų6647.4 Ų47.435%0.34626%0.264SS..Hα-helixtrans-60.2-52179.8-179.270.3000111.7F445 L448 A450 C454 D455 E456F445-L452 HydrophobicContact CB-CD2 4.21Å; F445-L452 HydrophobicContact CD1-CD2 4.35Å; F445-L452 WeakPolarHBondContact O-CD2 3.15Å; L448-L452 PolarHBondContact O-N 2.93Å; A450-L452 VanDerWaalsContact C-N 3.35Å; A450-L452 PolarHBondContact O-N 3.47Å; L452-C454 VanDerWaalsContact C-N 3.31Å; L452-C454 PolarHBondContact O-N 3.35Å; L452-D455 PolarHBondContact O-N 2.83Å; L452-D455 VanDerWaalsContact O-N 3.14Å; L452-E456 WeakPolarHBondContact O-CG 3.36Å; L452-E456 PolarHBondContact O-N 2.62Å
453V92.1Very high90.2Very high1 Ų151.9 Ų51.91%0.00629%0.288CS..Hα-helixtrans-65.4-36.8-178.4174.90000111.3F445 S449 A450 D455 E456 L457 A471 V475F445-V453 HydrophobicContact CD1-CG2 3.78Å; F445-V453 HydrophobicContact CE1-CG2 3.77Å; F445-V453 HydrophobicContact CG-CG2 4.27Å; F445-V453 HydrophobicContact CZ-CG2 4.23Å; S449-V453 WeakPolarHBondContact O-CG2 3.25Å; S449-V453 PolarHBondContact O-N 3.33Å; A450-V453 PolarHBondContact O-N 3.36Å; V453-D455 VanDerWaalsContact C-N 3.33Å; V453-D455 PolarHBondContact O-N 2.72Å; V453-E456 PolarHBondContact O-N 2.7Å; V453-L457 HydrophobicContact CG1-CD1 3.9Å; V453-L457 HydrophobicContact CG1-CG 4.47Å; V453-L457 WeakPolarHBondContact O-CB 3.35Å; V453-L457 WeakPolarHBondContact O-CG 3.42Å; V453-L457 PolarHBondContact O-N 2.84Å; V453-A471 HydrophobicContact CG1-CB 3.83Å; V453-V475 HydrophobicContact CB-CG2 4Å; V453-V475 HydrophobicContact CG1-CG2 4.28Å; V453-V475 HydrophobicContact CG2-CG2 3.74Å
454C93Very high90.3Very high2 Ų251.3 Ų51.31%0.01428%0.282CS..Hα-helixtrans-63.7-37.8173.8-74.80000112.5I408 A450 P451 L452 K458 I459I408-C454 HydrophobicContact CG2-CB 4.3Å; I408-C454 VanDerWaalsContact CG2-SG 3.54Å; A450-C454 VanDerWaalsContact O-CB 3.29Å; A450-C454 WeakPolarHBondContact O-CB 3.32Å; A450-C454 PolarHBondContact O-N 2.84Å; A450-C454 PolarHBondContact O-SG 3.15Å; P451-C454 PolarHBondContact O-N 3.38Å; L452-C454 VanDerWaalsContact C-N 3.31Å; L452-C454 PolarHBondContact O-N 3.35Å; C454-K458 PolarHBondContact O-N 3.12Å; C454-I459 HydrophobicContact CB-CB 4.37Å; C454-I459 HydrophobicContact CB-CD1 4.41Å; C454-I459 PolarHBondContact O-N 3.21Å
455D92.6Very high90.3Very high89 Ų8954.8 Ų54.848%0.47628%0.275SS..Hα-helixtrans-69.5-42.6176.3-73.1-33.2000111.9R412 P451 L452 V453 L457 K458R412-D455 IonicContact CZ-OD1 2.77Å; R412-D455 VanDerWaalsContact CZ-OD1 3.32Å; R412-D455 IonicContact CZ-OD2 2.81Å; R412-D455 IonicContact NH1-OD1 4Å; R412-D455 PolarHBondContact NH1-OD1 3.05Å; R412-D455 IonicContact NH1-OD2 3.24Å; R412-D455 IonicContact NH2-OD1 3.66Å; R412-D455 PolarHBondContact NH2-OD1 2.74Å; R412-D455 IonicContact NH2-OD2 2.72Å; R412-D455 PolarHBondContact NH2-OD2 2.94Å; P451-D455 WeakPolarHBondContact O-CB 3.45Å; P451-D455 VanDerWaalsContact O-CG 3.29Å; P451-D455 PolarHBondContact O-N 3.34Å; P451-D455 VanDerWaalsContact O-OD2 3.13Å; L452-D455 PolarHBondContact O-N 2.83Å; L452-D455 VanDerWaalsContact O-N 3.14Å; V453-D455 VanDerWaalsContact C-N 3.33Å; V453-D455 PolarHBondContact O-N 2.72Å; D455-L457 PolarHBondContact O-N 3.25Å; D455-K458 PolarHBondContact O-N 2.68Å; D455-K458 VanDerWaalsContact O-N 3.09Å
456E92.1Very high90.4Very high121 Ų12160.2 Ų60.257%0.56531%0.306SS*.Hα-helixtrans-60.8-44175.2-73.3-178.6173.100112.5L452 V453 K458L452-E456 WeakPolarHBondContact O-CG 3.36Å; L452-E456 PolarHBondContact O-N 2.62Å; V453-E456 PolarHBondContact O-N 2.7Å; E456-K458 PolarHBondContact O-N 3.26Å
457L92.6Very high90.4Very high34 Ų3463.2 Ų63.218%0.17831%0.312CS..THydrogen-bonded Turntrans-78.50.2177.4-67.1174.4000113.3V453 D455 I459 A471V453-L457 HydrophobicContact CG1-CD1 3.9Å; V453-L457 HydrophobicContact CG1-CG 4.47Å; V453-L457 WeakPolarHBondContact O-CB 3.35Å; V453-L457 WeakPolarHBondContact O-CG 3.42Å; V453-L457 PolarHBondContact O-N 2.84Å; D455-L457 PolarHBondContact O-N 3.25Å; L457-I459 VanDerWaalsContact C-N 3.29Å; L457-I459 HydrophobicContact CB-CD1 4.15Å; L457-I459 HydrophobicContact CB-CG1 3.93Å; L457-I459 HydrophobicContact CD1-CD1 4.45Å; L457-I459 PolarHBondContact O-N 3.29Å; L457-A471 HydrophobicContact CD1-CB 3.75Å
458K92.9Very high90.4Very high159 Ų15959.7 Ų59.769%0.69129%0.293SS*.THydrogen-bonded Turntrans52.446.1-179.7-56.4179.4-178.8179.40111.9C454 D455 E456C454-K458 PolarHBondContact O-N 3.12Å; D455-K458 PolarHBondContact O-N 2.68Å; D455-K458 VanDerWaalsContact O-N 3.09Å; E456-K458 PolarHBondContact O-N 3.26Å
459I92Very high90.1Very high11 Ų1159.4 Ų59.46%0.05630%0.299CS..  trans-75.5125178.8-61.4-179.6000108.6A409 C454 L457 D464 K467 L468 A471A409-I459 HydrophobicContact CB-CG2 4.17Å; C454-I459 HydrophobicContact CB-CB 4.37Å; C454-I459 HydrophobicContact CB-CD1 4.41Å; C454-I459 PolarHBondContact O-N 3.21Å; L457-I459 VanDerWaalsContact C-N 3.29Å; L457-I459 HydrophobicContact CB-CD1 4.15Å; L457-I459 HydrophobicContact CB-CG1 3.93Å; L457-I459 HydrophobicContact CD1-CD1 4.45Å; L457-I459 PolarHBondContact O-N 3.29Å; I459-D464 HydrophobicContact CG2-CB 4.23Å; I459-K467 HydrophobicContact CD1-CB 3.99Å; I459-K467 HydrophobicContact CG1-CB 3.94Å; I459-K467 HydrophobicContact CG1-CD 4.35Å; I459-L468 HydrophobicContact CD1-CD2 3.85Å; I459-L468 HydrophobicContact CD1-CG 4.16Å; I459-L468 HydrophobicContact CG2-CD2 4.07Å; I459-L468 HydrophobicContact CG2-CG 4.25Å; I459-A471 HydrophobicContact CD1-CB 4.16Å
460Q86.6Confident90Very high145 Ų14563.4 Ų63.468%0.67832%0.317SS*.  trans-114.5-20.8-175.4-65.2-168.21.400113.2D464Q460-D464 PolarHBondContact N-OD2 3.02Å
461S87.6Confident89.9Confident18 Ų1863.4 Ų63.413%0.12632%0.317CS..SBendtrans-142.7154.3178.4-172.50000112.6D413 N463 D464D413-S461 VanDerWaalsContact OD2-CA 3.25Å; D413-S461 WeakPolarHBondContact OD2-CA 3.28Å; D413-S461 PolarHBondContact OD2-OG 3.32Å; S461-N463 PolarHBondContact O-N 3.45Å; S461-N463 PolarHBondContact OG-N 3.34Å; S461-D464 PolarHBondContact N-OD2 3.25Å; S461-D464 VanDerWaalsContact N-OD2 3.11Å; S461-D464 WeakPolarHBondContact O-CB 3.45Å; S461-D464 PolarHBondContact O-N 2.99Å; S461-D464 VanDerWaalsContact O-N 3.15Å
462Q85.1Confident89.6Confident7 Ų767.4 Ų67.43%0.03333%0.334CS..THydrogen-bonded Turntrans-60.3-10.3170.374.9-169.5-89.800114A410 D413 L468A410-Q462 HydrophobicContact CB-CB 4.24Å; D413-Q462 WeakPolarHBondContact OD2-CG 3.35Å; D413-Q462 PolarHBondContact OD2-N 3.43Å; D413-Q462 PolarHBondContact OD2-NE2 3.46Å; Q462-L468 WeakPolarHBondContact O-CD1 3.21Å
463N86.8Confident89.2Confident94 Ų9467.7 Ų67.750%0.50333%0.333SS..THydrogen-bonded Turntrans-88.6-6177.7-66.1-35.2000113.8S461 K465S461-N463 PolarHBondContact O-N 3.45Å; S461-N463 PolarHBondContact OG-N 3.34Å; N463-K465 PolarHBondContact O-N 3.34Å
464D88.6Confident88.9Confident53 Ų5371.9 Ų71.928%0.28335%0.351SS..  trans-74.960.9179.2-65.8-33.8000111.4I459 Q460 S461 D466 K467 L468I459-D464 HydrophobicContact CG2-CB 4.23Å; Q460-D464 PolarHBondContact N-OD2 3.02Å; S461-D464 PolarHBondContact N-OD2 3.25Å; S461-D464 VanDerWaalsContact N-OD2 3.11Å; S461-D464 WeakPolarHBondContact O-CB 3.45Å; S461-D464 PolarHBondContact O-N 2.99Å; S461-D464 VanDerWaalsContact O-N 3.15Å; D464-D466 PolarHBondContact O-N 3.44Å; D464-K467 HydrophobicContact CB-CB 4.4Å; D464-K467 PolarHBondContact O-N 2.94Å; D464-L468 WeakPolarHBondContact O-CB 3.38Å; D464-L468 WeakPolarHBondContact O-CG 3.49Å; D464-L468 PolarHBondContact O-N 2.89Å
465K85.4Confident88.6Confident150 Ų15071.9 Ų71.965%0.65235%0.351SS*.Hα-helixtrans-52.5-48.7-166.8-69.1-177.2-179.5179.30114.1N463 K467 L468 A469N463-K465 PolarHBondContact O-N 3.34Å; K465-K467 PolarHBondContact O-N 3.2Å; K465-L468 PolarHBondContact O-N 3.44Å; K465-A469 WeakPolarHBondContact O-CB 3.44Å; K465-A469 PolarHBondContact O-N 3.49Å
466D86.4Confident88.1Confident144 Ų14471.3 Ų71.377%0.7734%0.343SS*.Hα-helixtrans-67-41-175.3-57-26.8000111.3D464 A469 E470D464-D466 PolarHBondContact O-N 3.44Å; D466-A469 PolarHBondContact O-N 3.02Å; D466-E470 PolarHBondContact O-N 3.05Å; D466-E470 VanDerWaalsContact O-N 3.08Å
467K90.6Very high87.5Confident88 Ų8868.1 Ų68.138%0.38333%0.329SS..Hα-helixtrans-69.7-38.1177.4-64.3-177.4177.7-176.60112.1I459 D464 K465 E470 A471I459-K467 HydrophobicContact CD1-CB 3.99Å; I459-K467 HydrophobicContact CG1-CB 3.94Å; I459-K467 HydrophobicContact CG1-CD 4.35Å; D464-K467 HydrophobicContact CB-CB 4.4Å; D464-K467 PolarHBondContact O-N 2.94Å; K465-K467 PolarHBondContact O-N 3.2Å; K467-E470 PolarHBondContact O-N 3.4Å; K467-A471 WeakPolarHBondContact O-CB 3.39Å; K467-A471 PolarHBondContact O-N 2.94Å
468L89.1Confident87.1Confident4 Ų470.6 Ų70.62%0.02134%0.339CS..Hα-helixtrans-67.1-37.7176.1-77.9169000111.8P405 A409 I459 Q462 D464 K465 A471 K472P405-L468 HydrophobicContact CB-CD2 3.95Å; P405-L468 WeakPolarHBondContact O-CD2 3.31Å; A409-L468 HydrophobicContact CB-CD1 4.41Å; A409-L468 HydrophobicContact CB-CD2 3.9Å; I459-L468 HydrophobicContact CD1-CD2 3.85Å; I459-L468 HydrophobicContact CD1-CG 4.16Å; I459-L468 HydrophobicContact CG2-CD2 4.07Å; I459-L468 HydrophobicContact CG2-CG 4.25Å; Q462-L468 WeakPolarHBondContact O-CD1 3.21Å; D464-L468 WeakPolarHBondContact O-CB 3.38Å; D464-L468 WeakPolarHBondContact O-CG 3.49Å; D464-L468 PolarHBondContact O-N 2.89Å; K465-L468 PolarHBondContact O-N 3.44Å; L468-A471 PolarHBondContact O-N 3.45Å; L468-K472 VanDerWaalsContact O-CB 3.24Å; L468-K472 WeakPolarHBondContact O-CB 3.28Å; L468-K472 PolarHBondContact O-N 3.06Å
469A87.2Confident86.7Confident51 Ų5163 Ų6342%0.42131%0.306SS..Hα-helixtrans-62.5-46.5173.200000111.5K465 D466 A471 K472 E473K465-A469 WeakPolarHBondContact O-CB 3.44Å; K465-A469 PolarHBondContact O-N 3.49Å; D466-A469 PolarHBondContact O-N 3.02Å; A469-A471 PolarHBondContact O-N 3.35Å; A469-K472 PolarHBondContact O-N 3.43Å; A469-E473 PolarHBondContact O-N 3.03Å
470E90Very high86.3Confident84 Ų8465.1 Ų65.139%0.39331%0.314SS..Hα-helixtrans-60.3-45.4175.3-169.4-166.2154.200111.9D466 K467 K472 E473 K474D466-E470 PolarHBondContact O-N 3.05Å; D466-E470 VanDerWaalsContact O-N 3.08Å; K467-E470 PolarHBondContact O-N 3.4Å; E470-K472 VanDerWaalsContact C-N 3.32Å; E470-K472 PolarHBondContact O-N 2.95Å; E470-E473 PolarHBondContact O-N 3.12Å; E470-K474 PolarHBondContact O-N 3.44Å; E470-K474 VanDerWaalsContact O-N 3.16Å; E470-K474 WeakPolarHBondContact OE1-CE 3.43Å; E470-K474 IonicContact OE1-NZ 2.7Å; E470-K474 PolarHBondContact OE1-NZ 3.32Å
471A90.1Very high86Confident0 Ų063 Ų630%030%0.301CS..Hα-helixtrans-59.2-44.2176.800000111.6P405 V453 L457 I459 K467 L468 A469 K474 V475P405-A471 HydrophobicContact CB-CB 3.75Å; P405-A471 HydrophobicContact CG-CB 3.77Å; V453-A471 HydrophobicContact CG1-CB 3.83Å; L457-A471 HydrophobicContact CD1-CB 3.75Å; I459-A471 HydrophobicContact CD1-CB 4.16Å; K467-A471 WeakPolarHBondContact O-CB 3.39Å; K467-A471 PolarHBondContact O-N 2.94Å; L468-A471 PolarHBondContact O-N 3.45Å; A469-A471 PolarHBondContact O-N 3.35Å; A471-K474 PolarHBondContact O-N 2.95Å; A471-V475 WeakPolarHBondContact O-CG2 3.21Å; A471-V475 PolarHBondContact O-N 3.24Å
472K88.3Confident86Confident95 Ų9566.5 Ų66.541%0.41332%0.316SS..Hα-helixtrans-64.9-42.6-179.1-172175.2-163.5148.80111.6D406 L468 A469 E470 K474 V475 Y476D406-K472 IonicContact OD2-NZ 3.73Å; D406-K472 PolarHBondContact OD2-NZ 2.92Å; L468-K472 VanDerWaalsContact O-CB 3.24Å; L468-K472 WeakPolarHBondContact O-CB 3.28Å; L468-K472 PolarHBondContact O-N 3.06Å; A469-K472 PolarHBondContact O-N 3.43Å; E470-K472 VanDerWaalsContact C-N 3.32Å; E470-K472 PolarHBondContact O-N 2.95Å; K472-K474 PolarHBondContact O-N 3.46Å; K472-V475 PolarHBondContact O-N 2.98Å; K472-Y476 WeakPolarHBondContact O-CB 3.34Å; K472-Y476 PolarHBondContact O-N 3.35Å
473E84.4Confident86.3Confident72 Ų7266.2 Ų66.234%0.33631%0.314SS..Hα-helixtrans-61.5-45.1176.9-165.5177.9178.900111.3I137 A469 E470 L477I137-E473 HydrophobicContact CD1-CG 3.86Å; I137-E473 HydrophobicContact CG1-CG 4.04Å; A469-E473 PolarHBondContact O-N 3.03Å; E470-E473 PolarHBondContact O-N 3.12Å; E473-L477 PolarHBondContact O-N 3.13Å
474K85Confident86.6Confident89 Ų8964.6 Ų64.639%0.38731%0.305SS..Hα-helixtrans-61.8-47.2178.3-76.9174172.11690113E470 A471 K472E470-K474 PolarHBondContact O-N 3.44Å; E470-K474 VanDerWaalsContact O-N 3.16Å; E470-K474 WeakPolarHBondContact OE1-CE 3.43Å; E470-K474 IonicContact OE1-NZ 2.7Å; E470-K474 PolarHBondContact OE1-NZ 3.32Å; A471-K474 PolarHBondContact O-N 2.95Å; K472-K474 PolarHBondContact O-N 3.46Å
475V87.4Confident86.9Confident1 Ų162.1 Ų62.11%0.00629%0.291CS..Hα-helixtrans-77.2-43.4-174.7175.40000111.6D403 P405 I442 S449 V453 A471 K472 G479D403-V475 WeakPolarHBondContact O-CG1 3.32Å; P405-V475 HydrophobicContact CG-CG2 4.38Å; I442-V475 HydrophobicContact CD1-CG1 4.11Å; S449-V475 WeakPolarHBondContact OG-CG1 3.34Å; V453-V475 HydrophobicContact CB-CG2 4Å; V453-V475 HydrophobicContact CG1-CG2 4.28Å; V453-V475 HydrophobicContact CG2-CG2 3.74Å; A471-V475 WeakPolarHBondContact O-CG2 3.21Å; A471-V475 PolarHBondContact O-N 3.24Å; K472-V475 PolarHBondContact O-N 2.98Å; V475-G479 WeakPolarHBondContact O-CA 3.45Å; V475-G479 PolarHBondContact O-N 3.17Å
476Y81.9Confident87.2Confident77 Ų7757.4 Ų57.430%0.30227%0.273SS..Hα-helixtrans-70.1-43.6-170.1-160.5-78.5000112.8L302 R303 K472 F480L302-Y476 WeakPolarHBondContact CB-OH 3.22Å; R303-Y476 HydrophobicContact CG-CE2 3.83Å; R303-Y476 WeakPolarHBondContact CG-OH 3.39Å; K472-Y476 WeakPolarHBondContact O-CB 3.34Å; K472-Y476 PolarHBondContact O-N 3.35Å; Y476-F480 PolarHBondContact O-N 2.81Å; Y476-F480 VanDerWaalsContact O-N 3.15Å
477L79.1Confident87.3Confident54 Ų5452 Ų5228%0.28325%0.246SC..Hα-helixtrans-65.3-52.4179.5-109.9169.5000112.7I137 E473 G479 F480 Y481I137-L477 HydrophobicContact CB-CD1 4.01Å; I137-L477 HydrophobicContact CB-CG 4.27Å; I137-L477 HydrophobicContact CD1-CB 4.42Å; I137-L477 HydrophobicContact CD1-CD1 3.36Å; I137-L477 HydrophobicContact CD1-CD2 4.43Å; I137-L477 HydrophobicContact CD1-CG 3.41Å; I137-L477 VanDerWaalsContact CD1-CG 3.41Å; I137-L477 HydrophobicContact CG1-CD1 3.35Å; I137-L477 HydrophobicContact CG1-CG 3.88Å; I137-L477 HydrophobicContact CG2-CD1 3.49Å; I137-L477 VanDerWaalsContact CG2-CD1 3.49Å; I137-L477 HydrophobicContact CG2-CD2 3.5Å; I137-L477 VanDerWaalsContact CG2-CD2 3.5Å; I137-L477 HydrophobicContact CG2-CG 3.69Å; E473-L477 PolarHBondContact O-N 3.13Å; L477-G479 VanDerWaalsContact C-N 3.29Å; L477-G479 PolarHBondContact O-N 2.98Å; L477-F480 PolarHBondContact O-N 2.96Å; L477-Y481 HydrophobicContact CD2-CD2 4.12Å; L477-Y481 HydrophobicContact CD2-CE2 3.79Å; L477-Y481 WeakPolarHBondContact O-CD2 3.48Å; L477-Y481 PolarHBondContact O-N 2.97Å
478K85.3Confident86.9Confident87 Ų8756.3 Ų56.338%0.37827%0.267SS..Hα-helixtrans-64.4-39.6179.9-78.8-177.8158.6-163.30110.4I442 F445 F480 Y481 E482 G483I442-K478 HydrophobicContact CG2-CB 3.89Å; F445-K478 HydrophobicContact CD2-CD 4.4Å; F445-K478 HydrophobicContact CE2-CB 4.41Å; F445-K478 HydrophobicContact CE2-CD 3.48Å; F445-K478 VanDerWaalsContact CE2-CD 3.48Å; F445-K478 HydrophobicContact CZ-CD 4.04Å; K478-F480 PolarHBondContact O-N 2.94Å; K478-Y481 PolarHBondContact O-N 3.36Å; K478-E482 WeakPolarHBondContact O-CA 3.13Å; K478-E482 WeakPolarHBondContact O-CB 3.37Å; K478-E482 PolarHBondContact O-N 2.92Å; K478-G483 PolarHBondContact O-N 3.01Å
479G83.9Confident86.8Confident0 Ų059.4 Ų59.40%030%0.299CS..Hα-helixtrans-60.7-32.117600000113.7I442 V475 L477 G483I442-G479 VanDerWaalsContact CD1-CA 3.46Å; V475-G479 WeakPolarHBondContact O-CA 3.45Å; V475-G479 PolarHBondContact O-N 3.17Å; L477-G479 VanDerWaalsContact C-N 3.29Å; L477-G479 PolarHBondContact O-N 2.98Å; G479-G483 WeakPolarHBondContact O-CA 3.48Å; G479-G483 PolarHBondContact O-N 3.19Å
480F83.3Confident86.9Confident54 Ų5459.3 Ų59.324%0.23729%0.289CS..Hα-helixtrans-72.5-45.2177.9-175.4-105.4000113.1Y476 L477 K478 Q496 K499Y476-F480 PolarHBondContact O-N 2.81Å; Y476-F480 VanDerWaalsContact O-N 3.15Å; L477-F480 PolarHBondContact O-N 2.96Å; K478-F480 PolarHBondContact O-N 2.94Å; F480-Q496 HydrophobicContact CE1-CG 4.11Å; F480-Q496 HydrophobicContact CE2-CG 4.47Å; F480-Q496 HydrophobicContact CZ-CB 4.29Å; F480-Q496 HydrophobicContact CZ-CG 3.85Å; F480-K499 HydrophobicContact CE2-CD 4.16Å
481Y80.8Confident87Confident102 Ų10262.8 Ų62.840%0.430%0.303SS..Hα-helixtrans-91.5-35.7-173.9-69.5-70.8000114.5L477 K478L477-Y481 HydrophobicContact CD2-CD2 4.12Å; L477-Y481 HydrophobicContact CD2-CE2 3.79Å; L477-Y481 WeakPolarHBondContact O-CD2 3.48Å; L477-Y481 PolarHBondContact O-N 2.97Å; K478-Y481 PolarHBondContact O-N 3.36Å
482E88.3Confident86.9Confident91 Ų9165.6 Ų65.643%0.42533%0.331SS..THydrogen-bonded Turntrans-110.3-13.5-173.1-60176.7-168.100112.5P443 K478P443-E482 WeakPolarHBondContact CD-O 3.46Å; P443-E482 HydrophobicContact CG-CB 4.39Å; K478-E482 WeakPolarHBondContact O-CA 3.13Å; K478-E482 WeakPolarHBondContact O-CB 3.37Å; K478-E482 PolarHBondContact O-N 2.92Å
483G91Very high87.1Confident0 Ų065.4 Ų65.40%033%0.332CS..  trans-64.9132.9-178.200000113K478 G479 K494 V495K478-G483 PolarHBondContact O-N 3.01Å; G479-G483 WeakPolarHBondContact O-CA 3.48Å; G479-G483 PolarHBondContact O-N 3.19Å; G483-K494 WeakPolarHBondContact O-CA 3.34Å; G483-V495 WeakPolarHBondContact O-CG2 3.37Å; G483-V495 PolarHBondContact O-N 3.43Å
484I92.8Very high87.4Confident61 Ų6167.2 Ų67.231%0.31334%0.339SS..EExtended strand (participates in β ladder)trans-112.5128.6178.8-57.7177.3000109I440 E441I440-I484 CarbonylContact C-O 3.55Å; I440-I484 WeakPolarHBondContact CA-O 3.33Å; E441-I484 PolarHBondContact N-O 3.31Å; E441-I484 PolarHBondContact O-N 3.02Å
485M94.1Very high87.6Confident0 Ų063 Ų630%032%0.32CS..EExtended strand (participates in β ladder)trans-69.6140.2177.3-67.9-60.3-68.700111.9E305 F308 I440 V487 Y490 K491 G492 Q493 V495 V498 I502E305-M485 HydrophobicContact CB-CE 4.47Å; E305-M485 HydrophobicContact CB-SD 4.3Å; E305-M485 HydrophobicContact CG-SD 4.47Å; F308-M485 HydrophobicContact CD2-CE 4.22Å; F308-M485 HydrophobicContact CE2-CE 4.26Å; I440-M485 HydrophobicContact CD1-SD 4.28Å; I440-M485 HydrophobicContact CG1-SD 3.74Å; M485-V487 HydrophobicContact CE-CG2 4.35Å; M485-Y490 WeakPolarHBondContact CB-O 3.22Å; M485-K491 CarbonylContact O-C 3.57Å; M485-K491 WeakPolarHBondContact O-CA 3.45Å; M485-G492 PolarHBondContact O-N 3.35Å; M485-Q493 PolarHBondContact N-O 2.85Å; M485-V495 HydrophobicContact CG-CG2 4.46Å; M485-V495 HydrophobicContact SD-CG2 3.96Å; M485-V498 HydrophobicContact CG-CG2 3.66Å; M485-V498 HydrophobicContact SD-CG2 4.26Å; M485-I502 HydrophobicContact CE-CD1 4.22Å
486L91.3Very high87.6Confident51 Ų5167.4 Ų67.427%0.26734%0.341SS..  trans-105.1-18.9177.5-61.7177.7000113.6P438 I439 E441 N447P438-L486 HydrophobicContact CB-CD1 4.34Å; I439-L486 PolarHBondContact O-N 3.08Å; E441-L486 HydrophobicContact CB-CD1 4.14Å; E441-L486 HydrophobicContact CB-CD2 3.95Å; E441-L486 HydrophobicContact CB-CG 4.17Å; N447-L486 HydrophobicContact CB-CD1 3.81Å
487V89.3Confident87.8Confident32 Ų3268.7 Ų68.719%0.19435%0.353CS..SBendtrans-71.3142.1-173.9-173.80000111.6F308 I439 M485 Y490 K491F308-V487 HydrophobicContact CB-CG2 3.86Å; F308-V487 HydrophobicContact CD1-CG1 3.66Å; F308-V487 HydrophobicContact CD1-CG2 4.4Å; F308-V487 HydrophobicContact CD2-CB 4.49Å; F308-V487 HydrophobicContact CD2-CG1 4.4Å; F308-V487 HydrophobicContact CD2-CG2 4.05Å; F308-V487 HydrophobicContact CE1-CG1 3.83Å; F308-V487 HydrophobicContact CG-CB 4.39Å; F308-V487 HydrophobicContact CG-CG1 3.97Å; F308-V487 HydrophobicContact CG-CG2 3.86Å; F308-V487 HydrophobicContact CZ-CG1 4.27Å; I439-V487 HydrophobicContact CB-CG2 4.15Å; I439-V487 HydrophobicContact CG2-CG2 4.1Å; M485-V487 HydrophobicContact CE-CG2 4.35Å; V487-Y490 CarbonylContact O-C 3.47Å; V487-Y490 PolarHBondContact O-N 3.37Å; V487-Y490 VanDerWaalsContact O-N 3.14Å; V487-K491 PolarHBondContact O-N 2.8Å
488E82.6Confident88.4Confident178 Ų17866.2 Ų66.283%0.83234%0.34SS*.THydrogen-bonded Turntrans-56.1140.7176.9-63.1-167.2161.300112Y490E488-Y490 VanDerWaalsContact C-N 3.29Å; E488-Y490 PolarHBondContact O-N 3.08Å
489G85.8Confident88.6Confident68 Ų6864.6 Ų64.670%0.70133%0.333SS*.THydrogen-bonded Turntrans88.7-28.2-171.900000114.8
490Y90.1Very high88.8Confident49 Ų4969.8 Ų69.819%0.19236%0.355CS..THydrogen-bonded Turntrans-123.32.2178.8-59.9-78.6000113.9F308 M485 V487 E488 G492 Q493 V498 I502F308-Y490 HydrophobicContact CZ-CD2 4.45Å; F308-Y490 HydrophobicContact CZ-CE2 4.4Å; M485-Y490 WeakPolarHBondContact CB-O 3.22Å; V487-Y490 CarbonylContact O-C 3.47Å; V487-Y490 PolarHBondContact O-N 3.37Å; V487-Y490 VanDerWaalsContact O-N 3.14Å; E488-Y490 VanDerWaalsContact C-N 3.29Å; E488-Y490 PolarHBondContact O-N 3.08Å; Y490-G492 PolarHBondContact O-N 3.5Å; Y490-Q493 WeakPolarHBondContact O-CB 3.37Å; Y490-Q493 PolarHBondContact O-N 2.68Å; Y490-Q493 VanDerWaalsContact O-N 3.14Å; Y490-V498 HydrophobicContact CD1-CB 4.03Å; Y490-V498 HydrophobicContact CD1-CG1 3.85Å; Y490-I502 HydrophobicContact CD1-CD1 4.44Å; Y490-I502 HydrophobicContact CD1-CG1 4.4Å; Y490-I502 HydrophobicContact CD2-CD1 4.29Å; Y490-I502 HydrophobicContact CD2-CG1 4.33Å; Y490-I502 HydrophobicContact CE1-CG1 3.99Å; Y490-I502 HydrophobicContact CE2-CD1 4.37Å; Y490-I502 HydrophobicContact CE2-CG1 3.91Å; Y490-I502 HydrophobicContact CG-CD1 4.32Å
491K92Very high89.2Confident158 Ų15869.5 Ų69.569%0.68736%0.359SS*.THydrogen-bonded Turntrans-50.7128.8-176.2-169.9175.6-177.3176.20112.6M485 V487 Q493M485-K491 CarbonylContact O-C 3.57Å; M485-K491 WeakPolarHBondContact O-CA 3.45Å; V487-K491 PolarHBondContact O-N 2.8Å; K491-Q493 VanDerWaalsContact C-N 3.31Å; K491-Q493 PolarHBondContact O-N 3.28Å
492G89.1Confident89.8Confident58 Ų5864.7 Ų64.760%0.59834%0.34SS*.THydrogen-bonded Turntrans83-2.6177.100000115.3M485 Y490M485-G492 PolarHBondContact O-N 3.35Å; Y490-G492 PolarHBondContact O-N 3.5Å
493Q91.8Very high90Very high91 Ų9161 Ų6143%0.42532%0.323SS..  trans-89.8151.7177-59.8-179.142.600111.4M485 Y490 K491 V498M485-Q493 PolarHBondContact N-O 2.85Å; Y490-Q493 WeakPolarHBondContact O-CB 3.37Å; Y490-Q493 PolarHBondContact O-N 2.68Å; Y490-Q493 VanDerWaalsContact O-N 3.14Å; K491-Q493 VanDerWaalsContact C-N 3.31Å; K491-Q493 PolarHBondContact O-N 3.28Å; Q493-V498 HydrophobicContact CB-CG1 3.62Å; Q493-V498 HydrophobicContact CG-CG1 4.38Å
494K91.1Very high90Very high111 Ų11168 Ų6848%0.48335%0.349SS..BIsolated β-bridgetrans-73.3141.2176.2-69-173175.9-171.60111.2G483 Q496 D497 V498G483-K494 WeakPolarHBondContact O-CA 3.34Å; K494-Q496 VanDerWaalsContact C-N 3.28Å; K494-Q496 PolarHBondContact O-N 2.97Å; K494-D497 PolarHBondContact O-N 3.5Å; K494-D497 VanDerWaalsContact O-N 3.11Å; K494-V498 WeakPolarHBondContact O-CG2 3.5Å; K494-V498 PolarHBondContact O-N 2.92Å
495V89.2Confident90.1Very high0 Ų066.9 Ų66.90%034%0.343CS..Hα-helixtrans-53.7-42.7178.2164.20000112.5E305 I440 G483 M485 D497 V498 K499E305-V495 HydrophobicContact CG-CG1 3.83Å; I440-V495 HydrophobicContact CD1-CG2 3.85Å; I440-V495 HydrophobicContact CG1-CG2 4.04Å; I440-V495 HydrophobicContact CG2-CG2 4.03Å; G483-V495 WeakPolarHBondContact O-CG2 3.37Å; G483-V495 PolarHBondContact O-N 3.43Å; M485-V495 HydrophobicContact CG-CG2 4.46Å; M485-V495 HydrophobicContact SD-CG2 3.96Å; V495-D497 PolarHBondContact O-N 3.37Å; V495-V498 PolarHBondContact O-N 2.78Å; V495-K499 WeakPolarHBondContact O-CB 3.43Å; V495-K499 PolarHBondContact O-N 3.4Å
496Q87.3Confident90Very high94 Ų9466.9 Ų66.944%0.43934%0.343SS..Hα-helixtrans-55.6-36.7179.8-176.91746.800113.1F480 K494F480-Q496 HydrophobicContact CE1-CG 4.11Å; F480-Q496 HydrophobicContact CE2-CG 4.47Å; F480-Q496 HydrophobicContact CZ-CB 4.29Å; F480-Q496 HydrophobicContact CZ-CG 3.85Å; K494-Q496 VanDerWaalsContact C-N 3.28Å; K494-Q496 PolarHBondContact O-N 2.97Å
497D86.4Confident90Very high104 Ų10466.7 Ų66.756%0.55634%0.344SS*.Hα-helixtrans-82.1-32.7-174.2-58.8-32.2000111.9K494 V495 P501K494-D497 PolarHBondContact O-N 3.5Å; K494-D497 VanDerWaalsContact O-N 3.11Å; V495-D497 PolarHBondContact O-N 3.37Å; D497-P501 VanDerWaalsContact O-CD 3.25Å; D497-P501 WeakPolarHBondContact O-CD 3.45Å; D497-P501 WeakPolarHBondContact O-CG 3.45Å
498V90.7Very high90.2Very high1 Ų172.8 Ų72.81%0.00637%0.37CS..Hα-helixtrans-96.7-17.3-172.9-59.20000114.5M485 Y490 Q493 K494 V495 K500 P501 I502M485-V498 HydrophobicContact CG-CG2 3.66Å; M485-V498 HydrophobicContact SD-CG2 4.26Å; Y490-V498 HydrophobicContact CD1-CB 4.03Å; Y490-V498 HydrophobicContact CD1-CG1 3.85Å; Q493-V498 HydrophobicContact CB-CG1 3.62Å; Q493-V498 HydrophobicContact CG-CG1 4.38Å; K494-V498 WeakPolarHBondContact O-CG2 3.5Å; K494-V498 PolarHBondContact O-N 2.92Å; V495-V498 PolarHBondContact O-N 2.78Å; V498-K500 PolarHBondContact O-N 3.2Å; V498-P501 VanDerWaalsContact O-CD 3.25Å; V498-P501 WeakPolarHBondContact O-CD 3.21Å; V498-I502 HydrophobicContact CB-CD1 4.04Å; V498-I502 HydrophobicContact CG2-CD1 3.96Å; V498-I502 WeakPolarHBondContact O-CG1 3.47Å; V498-I502 PolarHBondContact O-N 3.46Å
499K89.3Confident90.6Very high53 Ų5370.3 Ų70.323%0.2336%0.357CS..Hα-helixtrans-52.2-52-180175.5176.4-179.4173.10113.3L302 P304 E305 F480 V495 Q503L302-K499 WeakPolarHBondContact O-CE 3.45Å; L302-K499 PolarHBondContact O-NZ 3.06Å; P304-K499 HydrophobicContact CG-CG 3.93Å; E305-K499 WeakPolarHBondContact OE2-CG 3.16Å; F480-K499 HydrophobicContact CE2-CD 4.16Å; V495-K499 WeakPolarHBondContact O-CB 3.43Å; V495-K499 PolarHBondContact O-N 3.4Å; K499-Q503 WeakPolarHBondContact O-CB 3.04Å; K499-Q503 PolarHBondContact O-N 3.13Å; K499-Q503 VanDerWaalsContact O-N 3.08Å
500K88.9Confident90.8Very high110 Ų11068.7 Ų68.748%0.47834%0.34SS..Hα-helixtrans-67.7-43.5179.6-82.4-94.1-177.5-167.50112.5E264 V498 R504E264-K500 IonicContact OE1-NZ 2.98Å; E264-K500 IonicContact OE2-NZ 2.71Å; V498-K500 PolarHBondContact O-N 3.2Å; K500-R504 PolarHBondContact O-N 3.36Å
501P91.8Very high90.9Very high48 Ų4869.3 Ų69.331%0.31235%0.345SS..Hα-helixtrans-55.3-47.5170.3-30.734.8000114.5D497 V498 R504 M505D497-P501 VanDerWaalsContact O-CD 3.25Å; D497-P501 WeakPolarHBondContact O-CD 3.45Å; D497-P501 WeakPolarHBondContact O-CG 3.45Å; V498-P501 VanDerWaalsContact O-CD 3.25Å; V498-P501 WeakPolarHBondContact O-CD 3.21Å; P501-R504 PolarHBondContact O-N 3.48Å; P501-M505 PolarHBondContact O-N 3.29Å
502I92.6Very high91Very high0 Ų061.8 Ų61.80%031%0.312CS..Hα-helixtrans-64.5-43.3-179.5-68.5163000111.1E305 F308 L374 M485 Y490 V498 R504 M505 M506E305-I502 HydrophobicContact CB-CD1 3.91Å; F308-I502 HydrophobicContact CE2-CD1 4.19Å; F308-I502 HydrophobicContact CE2-CG2 4.38Å; L374-I502 HydrophobicContact CD1-CG2 4.01Å; M485-I502 HydrophobicContact CE-CD1 4.22Å; Y490-I502 HydrophobicContact CD1-CD1 4.44Å; Y490-I502 HydrophobicContact CD1-CG1 4.4Å; Y490-I502 HydrophobicContact CD2-CD1 4.29Å; Y490-I502 HydrophobicContact CD2-CG1 4.33Å; Y490-I502 HydrophobicContact CE1-CG1 3.99Å; Y490-I502 HydrophobicContact CE2-CD1 4.37Å; Y490-I502 HydrophobicContact CE2-CG1 3.91Å; Y490-I502 HydrophobicContact CG-CD1 4.32Å; V498-I502 HydrophobicContact CB-CD1 4.04Å; V498-I502 HydrophobicContact CG2-CD1 3.96Å; V498-I502 WeakPolarHBondContact O-CG1 3.47Å; V498-I502 PolarHBondContact O-N 3.46Å; I502-R504 PolarHBondContact O-N 2.83Å; I502-M505 HydrophobicContact CG2-CE 4.45Å; I502-M505 PolarHBondContact O-N 2.94Å; I502-M506 HydrophobicContact CG2-CE 3.9Å; I502-M506 PolarHBondContact O-N 3.31Å; I502-M506 VanDerWaalsContact O-N 3.08Å
503Q93.9Very high91.3Very high15 Ų1561.5 Ų61.57%0.0730%0.297CS..Hα-helixtrans-56.1-49.6173.5-173.3-171.340.700111.7E264 T266 P304 K499 M505 M506 V507 I514E264-Q503 PolarHBondContact OE1-NE2 3.46Å; E264-Q503 PolarHBondContact OE1-OE1 3.13Å; T266-Q503 HydrophobicContact CG2-CG 4.09Å; T266-Q503 WeakPolarHBondContact OG1-CG 3.01Å; T266-Q503 PolarHBondContact OG1-NE2 3.29Å; P304-Q503 HydrophobicContact CB-CB 4.12Å; P304-Q503 HydrophobicContact CG-CB 3.89Å; P304-Q503 HydrophobicContact CG-CG 4.38Å; K499-Q503 WeakPolarHBondContact O-CB 3.04Å; K499-Q503 PolarHBondContact O-N 3.13Å; K499-Q503 VanDerWaalsContact O-N 3.08Å; Q503-M505 PolarHBondContact O-N 2.93Å; Q503-M506 PolarHBondContact O-N 3.24Å; Q503-V507 WeakPolarHBondContact O-CG2 3.32Å; Q503-V507 PolarHBondContact O-N 3.5Å; Q503-I514 HydrophobicContact CG-CD1 4.17Å
504R91.1Very high91.4Very high147 Ų14759.2 Ų59.256%0.55529%0.287SS*.Hα-helixtrans-59.4-45.7178.8-84-175.2-83.7175.1-6.2111.9K500 P501 I502 M506 V507 E508K500-R504 PolarHBondContact O-N 3.36Å; P501-R504 PolarHBondContact O-N 3.48Å; I502-R504 PolarHBondContact O-N 2.83Å; R504-M506 PolarHBondContact O-N 3.37Å; R504-V507 PolarHBondContact O-N 2.84Å; R504-V507 VanDerWaalsContact O-N 3.15Å; R504-E508 WeakPolarHBondContact O-CB 3.3Å; R504-E508 WeakPolarHBondContact O-CG 3.19Å; R504-E508 PolarHBondContact O-N 2.94Å
505M93.4Very high91.5Very high36 Ų3654 Ų5418%0.17726%0.264CS..Hα-helixtrans-59.4-42.6178.4178.1-96-62.500112.7L374 P501 I502 Q503 K509L374-M505 HydrophobicContact CD1-CE 4.34Å; L374-M505 HydrophobicContact CD2-CE 3.96Å; L374-M505 HydrophobicContact CD2-SD 4.24Å; P501-M505 PolarHBondContact O-N 3.29Å; I502-M505 HydrophobicContact CG2-CE 4.45Å; I502-M505 PolarHBondContact O-N 2.94Å; Q503-M505 PolarHBondContact O-N 2.93Å; M505-K509 WeakPolarHBondContact O-CG 3.38Å; M505-K509 PolarHBondContact O-N 3.02Å; M505-K509 VanDerWaalsContact O-N 3.13Å; M505-K509 HydrophobicContact SD-CD 3.9Å; M505-K509 PolarHBondContact SD-NZ 2.88Å; M505-K509 VanDerWaalsContact SD-NZ 3.41Å
506M92.4Very high91.7Very high0 Ų054.8 Ų54.80%027%0.268CS..Hα-helixtrans-66.9-37.2175.7-71.9-174-71.700112.8T266 I268 P304 M307 L374 I502 Q503 R504 G510 E511 A512T266-M506 HydrophobicContact CG2-CE 4.28Å; I268-M506 HydrophobicContact CD1-CE 4.23Å; I268-M506 HydrophobicContact CD1-SD 4Å; P304-M506 HydrophobicContact CB-CE 3.36Å; M307-M506 HydrophobicContact CB-SD 4.43Å; M307-M506 HydrophobicContact CG-CE 4.48Å; M307-M506 HydrophobicContact CG-SD 4.35Å; L374-M506 HydrophobicContact CD1-CE 4.29Å; L374-M506 HydrophobicContact CD1-CG 3.73Å; L374-M506 HydrophobicContact CD1-SD 3.41Å; L374-M506 WeakPolarHBondContact CD1-SD 3.27Å; L374-M506 HydrophobicContact CD2-CG 4.48Å; L374-M506 HydrophobicContact CG-CG 4.12Å; L374-M506 HydrophobicContact CG-SD 3.98Å; I502-M506 HydrophobicContact CG2-CE 3.9Å; I502-M506 PolarHBondContact O-N 3.31Å; I502-M506 VanDerWaalsContact O-N 3.08Å; Q503-M506 PolarHBondContact O-N 3.24Å; R504-M506 PolarHBondContact O-N 3.37Å; M506-G510 PolarHBondContact O-N 3.02Å; M506-E511 HydrophobicContact CB-CB 4.5Å; M506-E511 PolarHBondContact O-N 3.15Å; M506-A512 HydrophobicContact CB-CB 3.76Å; M506-A512 PolarHBondContact O-N 2.87Å; M506-A512 VanDerWaalsContact O-N 3.14Å
507V92.4Very high91.9Very high48 Ų4850.5 Ų50.529%0.29125%0.248SC..Hα-helixtrans-68.1-43.8177.6172.60000111Q503 R504 K509 G510 A512 I514Q503-V507 WeakPolarHBondContact O-CG2 3.32Å; Q503-V507 PolarHBondContact O-N 3.5Å; R504-V507 PolarHBondContact O-N 2.84Å; R504-V507 VanDerWaalsContact O-N 3.15Å; V507-K509 VanDerWaalsContact C-N 3.29Å; V507-K509 PolarHBondContact O-N 3.47Å; V507-G510 PolarHBondContact O-N 3.36Å; V507-A512 WeakPolarHBondContact CA-O 3.24Å; V507-A512 HydrophobicContact CG2-CB 4.34Å; V507-I514 HydrophobicContact CG2-CD1 4.05Å; V507-I514 HydrophobicContact CG2-CG1 4.36Å
508E91.8Very high92.1Very high159 Ų15945.7 Ų45.774%0.74322%0.222SC*.Hα-helixtrans-62.7-34.5177.3-73.6169.4-171.300112.5R504 G510R504-E508 WeakPolarHBondContact O-CB 3.3Å; R504-E508 WeakPolarHBondContact O-CG 3.19Å; R504-E508 PolarHBondContact O-N 2.94Å; E508-G510 VanDerWaalsContact C-N 3.28Å; E508-G510 PolarHBondContact O-N 3.17Å
509K91.4Very high91.7Very high127 Ų12748.4 Ų48.455%0.55224%0.235SC*.THydrogen-bonded Turntrans-77.3-7.3174.2-71.6178.9178179.20114.4M505 V507 E511M505-K509 WeakPolarHBondContact O-CG 3.38Å; M505-K509 PolarHBondContact O-N 3.02Å; M505-K509 VanDerWaalsContact O-N 3.13Å; M505-K509 HydrophobicContact SD-CD 3.9Å; M505-K509 PolarHBondContact SD-NZ 2.88Å; M505-K509 VanDerWaalsContact SD-NZ 3.41Å; V507-K509 VanDerWaalsContact C-N 3.29Å; V507-K509 PolarHBondContact O-N 3.47Å; K509-E511 HydrophobicContact CB-CG 3.99Å; K509-E511 PolarHBondContact O-N 2.89Å
510G90.4Very high91.5Very high34 Ų3450.6 Ų50.635%0.35124%0.244SC..THydrogen-bonded Turntrans71.915-175.600000114.6K269 M506 V507 E508K269-G510 PolarHBondContact NZ-O 3.48Å; M506-G510 PolarHBondContact O-N 3.02Å; V507-G510 PolarHBondContact O-N 3.36Å; E508-G510 VanDerWaalsContact C-N 3.28Å; E508-G510 PolarHBondContact O-N 3.17Å
511E92.1Very high91.4Very high61 Ų6150.8 Ų50.829%0.28525%0.247SC..SBendtrans-84.2-24.3177.6-70.5174.8-176.100112.1K269 P373 M506 K509K269-E511 WeakPolarHBondContact CB-O 3.27Å; K269-E511 PolarHBondContact N-O 3.47Å; P373-E511 HydrophobicContact CB-CB 3.93Å; P373-E511 HydrophobicContact CB-CG 4.34Å; P373-E511 HydrophobicContact CG-CB 3.79Å; P373-E511 HydrophobicContact CG-CG 4.36Å; M506-E511 HydrophobicContact CB-CB 4.5Å; M506-E511 PolarHBondContact O-N 3.15Å; K509-E511 HydrophobicContact CB-CG 3.99Å; K509-E511 PolarHBondContact O-N 2.89Å
512A94.9Very high90.9Very high0 Ų048.5 Ų48.50%023%0.233CC..EExtended strand (participates in β ladder)trans-137.2163.8174.200000111.9T266 L267 I268 M506 V507T266-A512 HydrophobicContact CG2-CB 3.81Å; L267-A512 CarbonylContact O-C 3.54Å; L267-A512 WeakPolarHBondContact O-CA 3.49Å; L267-A512 WeakPolarHBondContact O-CB 3.46Å; I268-A512 HydrophobicContact CD1-CB 4.08Å; M506-A512 HydrophobicContact CB-CB 3.76Å; M506-A512 PolarHBondContact O-N 2.87Å; M506-A512 VanDerWaalsContact O-N 3.14Å; V507-A512 WeakPolarHBondContact CA-O 3.24Å; V507-A512 HydrophobicContact CG2-CB 4.34Å
513L94.2Very high90.3Very high53 Ų5350.4 Ų50.428%0.27724%0.242SC..EExtended strand (participates in β ladder)trans-131.2163.1173.1-64.5172000110.1L267 K269 F332 F347L267-L513 HydrophobicContact CB-CB 4.41Å; L267-L513 WeakPolarHBondContact CB-O 3.33Å; L267-L513 PolarHBondContact N-O 2.7Å; L267-L513 PolarHBondContact O-N 2.81Å; K269-L513 HydrophobicContact CD-CD1 4.29Å; K269-L513 HydrophobicContact CD-CG 4.3Å; F332-L513 HydrophobicContact CE2-CD1 3.94Å; F332-L513 HydrophobicContact CZ-CD1 3.84Å; F347-L513 HydrophobicContact CD1-CD1 4.11Å; F347-L513 HydrophobicContact CE1-CB 3.95Å; F347-L513 HydrophobicContact CE1-CD1 3.54Å; F347-L513 HydrophobicContact CE1-CG 4.38Å; F347-L513 HydrophobicContact CZ-CB 3.98Å; F347-L513 HydrophobicContact CZ-CD1 4.27Å
514I93.6Very high89.4Confident42 Ų4249.7 Ų49.722%0.21524%0.239CC..EExtended strand (participates in β ladder)trans-88.8120.8173.2-58.4-58.8000109E264 F347 Q503 V507 M516E264-I514 HydrophobicContact CG-CG2 3.95Å; F347-I514 VanDerWaalsContact CZ-O 3.3Å; F347-I514 WeakPolarHBondContact CZ-O 3.37Å; Q503-I514 HydrophobicContact CG-CD1 4.17Å; V507-I514 HydrophobicContact CG2-CD1 4.05Å; V507-I514 HydrophobicContact CG2-CG1 4.36Å; I514-M516 HydrophobicContact CG2-CE 4.04Å
515Y94.7Very high88.2Confident1 Ų147 Ų470%0.00423%0.228CC..EExtended strand (participates in β ladder)trans-117.7127.5176.9168.9-117.2000109.1Y265 L267 A300 N341 M342 E517Y265-Y515 WeakPolarHBondContact CA-O 3.41Å; Y265-Y515 PolarHBondContact N-O 3.24Å; Y265-Y515 PolarHBondContact O-N 3.39Å; Y265-Y515 VanDerWaalsContact O-O 3.11Å; L267-Y515 HydrophobicContact CD1-CD1 4.48Å; L267-Y515 HydrophobicContact CD1-CG 4.46Å; A300-Y515 HydrophobicContact CB-CD1 4.31Å; N341-Y515 HydrophobicContact CB-CE2 4Å; N341-Y515 PolarHBondContact ND2-OH 2.86Å; M342-Y515 HydrophobicContact CE-CD2 4.06Å; M342-Y515 HydrophobicContact CE-CE2 4.23Å; M342-Y515 HydrophobicContact CE-CG 4.4Å; M342-Y515 HydrophobicContact CG-CD2 3.8Å; M342-Y515 HydrophobicContact CG-CE2 3.91Å; Y515-E517 HydrophobicContact CE1-CB 3.94Å; Y515-E517 VanDerWaalsContact CE1-OE2 3.24Å; Y515-E517 WeakPolarHBondContact CE1-OE2 3.49Å; Y515-E517 PolarHBondContact OH-OE2 3.28Å
516M92.6Very high86.7Confident18 Ų1846.2 Ų46.29%0.08923%0.227CC..EExtended strand (participates in β ladder)trans-106.2139.8177-65.3-79-175.200110.5Y238 P262 Q263 E264 N341 Q345 I514 V532Y238-M516 HydrophobicContact CD1-CB 3.97Å; Y238-M516 HydrophobicContact CD1-CG 3.57Å; Y238-M516 HydrophobicContact CD2-CE 3.62Å; Y238-M516 HydrophobicContact CD2-CG 3.85Å; Y238-M516 HydrophobicContact CD2-SD 4.4Å; Y238-M516 HydrophobicContact CE1-CB 4.22Å; Y238-M516 HydrophobicContact CE1-CG 3.68Å; Y238-M516 HydrophobicContact CE2-CE 3.79Å; Y238-M516 HydrophobicContact CE2-CG 3.97Å; Y238-M516 HydrophobicContact CG-CB 4.35Å; Y238-M516 HydrophobicContact CG-CE 4.24Å; Y238-M516 HydrophobicContact CG-CG 3.62Å; Y238-M516 HydrophobicContact CG-SD 4.46Å; P262-M516 HydrophobicContact CB-SD 4.46Å; Q263-M516 WeakPolarHBondContact O-CA 3.49Å; E264-M516 WeakPolarHBondContact CA-SD 3.39Å; E264-M516 HydrophobicContact CB-CE 3.7Å; E264-M516 HydrophobicContact CB-SD 3.6Å; E264-M516 VanDerWaalsContact CB-SD 3.6Å; E264-M516 HydrophobicContact CG-CE 3.62Å; E264-M516 HydrophobicContact CG-SD 4.01Å; N341-M516 PolarHBondContact ND2-O 2.77Å; N341-M516 PolarHBondContact OD1-O 2.95Å; Q345-M516 PolarHBondContact NE2-O 2.87Å; I514-M516 HydrophobicContact CG2-CE 4.04Å; M516-V532 HydrophobicContact CB-CB 3.89Å; M516-V532 HydrophobicContact CB-CG1 3.57Å; M516-V532 HydrophobicContact CB-CG2 4.22Å; M516-V532 HydrophobicContact CG-CG1 4.43Å
517E92.1Very high85.7Confident3 Ų349 Ų491%0.01425%0.249CC..EExtended strand (participates in β ladder)trans-137.1147.9176.3-170.4172.5141.900110.9Q263 Y265 R337 N341 K392 G393 Y515 E519Q263-E517 WeakPolarHBondContact CA-O 3.42Å; Q263-E517 WeakPolarHBondContact CB-O 3.33Å; Q263-E517 PolarHBondContact N-O 2.99Å; Q263-E517 PolarHBondContact O-N 3.46Å; Y265-E517 HydrophobicContact CD2-CB 4.43Å; Y265-E517 HydrophobicContact CE2-CB 4.37Å; R337-E517 IonicContact CZ-OE1 2.65Å; R337-E517 IonicContact NH1-OE1 2.65Å; R337-E517 PolarHBondContact NH1-OE1 3.26Å; R337-E517 IonicContact NH2-OE1 3.27Å; R337-E517 PolarHBondContact NH2-OE1 3.3Å; N341-E517 WeakPolarHBondContact ND2-CA 3.44Å; K392-E517 WeakPolarHBondContact CA-OE1 3.13Å; G393-E517 VanDerWaalsContact CA-OE2 3.25Å; G393-E517 WeakPolarHBondContact CA-OE2 3.34Å; G393-E517 PolarHBondContact N-OE1 3.47Å; G393-E517 PolarHBondContact N-OE2 3.26Å; Y515-E517 HydrophobicContact CE1-CB 3.94Å; Y515-E517 VanDerWaalsContact CE1-OE2 3.24Å; Y515-E517 WeakPolarHBondContact CE1-OE2 3.49Å; Y515-E517 PolarHBondContact OH-OE2 3.28Å; E517-E519 PolarHBondContact O-N 3.44Å
518P89.1Confident85.2Confident3 Ų347.5 Ų47.52%0.01924%0.24CC..EExtended strand (participates in β ladder)trans-58.6128.6169.8-21.735.2000110I240 V260 K520 V522 V532I240-P518 HydrophobicContact CD1-CB 3.93Å; I240-P518 HydrophobicContact CD1-CG 4.01Å; V260-P518 HydrophobicContact CG1-CB 4.26Å; P518-K520 VanDerWaalsContact CB-O 3.27Å; P518-K520 WeakPolarHBondContact CB-O 3.34Å; P518-K520 PolarHBondContact O-N 3.09Å; P518-V522 HydrophobicContact CB-CG2 4.17Å; P518-V532 HydrophobicContact CG-CG2 4.05Å
519E83.7Confident85.1Confident58 Ų5842.4 Ų42.427%0.27122%0.216SC..SBendtrans-53.4-31.7-177.9-173.6-160.7141.600112.5K145 V260 G261 Q263 E517K145-E519 IonicContact NZ-OE1 2.83Å; V260-E519 HydrophobicContact CG1-CB 4.04Å; G261-E519 PolarHBondContact O-N 3.19Å; G261-E519 VanDerWaalsContact O-N 3.17Å; Q263-E519 HydrophobicContact CB-CB 4.31Å; E517-E519 PolarHBondContact O-N 3.44Å
520K84.1Confident85Confident99 Ų9936.5 Ų36.543%0.4319%0.19SC..SBendtrans-138.4163.2172.3-60-171.4177.4-162.90108.7V260 P518 V522V260-K520 HydrophobicContact CG1-CB 4.43Å; V260-K520 HydrophobicContact CG2-CB 3.98Å; P518-K520 VanDerWaalsContact CB-O 3.27Å; P518-K520 WeakPolarHBondContact CB-O 3.34Å; P518-K520 PolarHBondContact O-N 3.09Å; K520-V522 PolarHBondContact O-N 2.9Å
521Q86.3Confident85.1Confident114 Ų11435.2 Ų35.253%0.53318%0.176SC..  trans-54.7128.9173-168.5-179.616.400110.5E529Q521-E529 HydrophobicContact CG-CG 4.22Å
522V82.1Confident85Confident1 Ų132.3 Ų32.31%0.00616%0.163CC..  trans-118.4125.8176.2177.10000107.8I240 R254 T256 V260 P518 K520 C530I240-V522 HydrophobicContact CG2-CB 4.35Å; I240-V522 HydrophobicContact CG2-CG1 3.98Å; R254-V522 HydrophobicContact CB-CG1 4.31Å; R254-V522 VanDerWaalsContact CD-CG1 3.46Å; R254-V522 HydrophobicContact CG-CG1 3.5Å; T256-V522 WeakPolarHBondContact O-CA 3.47Å; V260-V522 HydrophobicContact CB-CG2 3.62Å; V260-V522 HydrophobicContact CG1-CG2 3.49Å; V260-V522 VanDerWaalsContact CG1-CG2 3.49Å; V260-V522 HydrophobicContact CG2-CG2 4.23Å; P518-V522 HydrophobicContact CB-CG2 4.17Å; K520-V522 PolarHBondContact O-N 2.9Å; V522-C530 HydrophobicContact CB-CB 3.92Å; V522-C530 HydrophobicContact CG1-CB 3.84Å; V522-C530 WeakPolarHBondContact O-CB 3.36Å; V522-C530 PolarHBondContact O-N 2.89Å
523M80.7Confident84.8Confident40 Ų4032.4 Ų32.420%0.19716%0.163CC..EExtended strand (participates in β ladder)trans-108.5129.1174.6-66.4-59.4-63.200108.3R254 Q255 T256 D528 E529R254-M523 CarbonylContact C-O 3.46Å; R254-M523 VanDerWaalsContact CA-O 3.3Å; R254-M523 WeakPolarHBondContact CA-O 3.42Å; Q255-M523 HydrophobicContact CB-CB 4.3Å; Q255-M523 PolarHBondContact N-O 3.33Å; T256-M523 PolarHBondContact N-O 3.35Å; T256-M523 PolarHBondContact O-N 3.48Å; M523-D528 WeakPolarHBondContact CA-O 3.29Å; M523-E529 HydrophobicContact SD-CB 3.89Å; M523-E529 HydrophobicContact SD-CG 4.15Å
524S74.8Confident84.5Confident0 Ų032.2 Ų32.20%016%0.162CC..EExtended strand (participates in β ladder)trans-71.8165.6170.676.10000110.5D245 D253 S526 A527 D528D245-S524 WeakPolarHBondContact OD2-CB 3.49Å; D245-S524 PolarHBondContact OD2-OG 2.89Å; D253-S524 CarbonylContact O-C 3.46Å; D253-S524 WeakPolarHBondContact O-CA 3.42Å; S524-S526 PolarHBondContact O-N 2.85Å; S524-S526 PolarHBondContact OG-N 2.87Å; S524-S526 PolarHBondContact OG-OG 3.14Å; S524-A527 PolarHBondContact O-N 3.13Å; S524-A527 VanDerWaalsContact O-N 3.09Å; S524-D528 PolarHBondContact N-O 3.42Å; S524-D528 PolarHBondContact OG-N 2.96Å; S524-D528 VanDerWaalsContact OG-N 3.13Å; S524-D528 PolarHBondContact OG-O 3.01Å
525R65Low83.9Confident89 Ų8931.3 Ų31.334%0.33616%0.159SC..THydrogen-bonded Turntrans-65.7-21171.8-69.4-144.4-172.9-176.73.2114.3H252 D253 A527H252-R525 PolarHBondContact O-NE 3.43Å; D253-R525 WeakPolarHBondContact O-CG 3.49Å; D253-R525 PolarHBondContact O-N 3.32Å; R525-A527 PolarHBondContact O-N 3.47Å
526S61.5Low83.3Confident21 Ų2134.6 Ų34.615%0.14718%0.177CC..THydrogen-bonded Turntrans-79.57.3172.664.30000113.3K244 D245 S524 D528K244-S526 PolarHBondContact NZ-O 3.26Å; D245-S526 WeakPolarHBondContact OD1-CB 3.38Å; D245-S526 PolarHBondContact OD1-OG 2.84Å; D245-S526 PolarHBondContact OD2-OG 2.85Å; D245-S526 VanDerWaalsContact OD2-OG 3.06Å; S524-S526 PolarHBondContact O-N 2.85Å; S524-S526 PolarHBondContact OG-N 2.87Å; S524-S526 PolarHBondContact OG-OG 3.14Å; S526-D528 VanDerWaalsContact C-N 3.29Å
527A72.9Confident82.9Confident57 Ų5733.8 Ų33.847%0.47117%0.173SC..SBendtrans61.632.6-176.100000113.1S524 R525S524-A527 PolarHBondContact O-N 3.13Å; S524-A527 VanDerWaalsContact O-N 3.09Å; R525-A527 PolarHBondContact O-N 3.47Å
528D81.3Confident82.8Confident18 Ų1835.2 Ų35.210%0.09618%0.178CC..  trans-96.4140.6169.8-171.925.2000110.8P243 K244 R340 M523 S524 S526 C530P243-D528 WeakPolarHBondContact CB-OD2 3.35Å; P243-D528 WeakPolarHBondContact CD-OD2 3.42Å; K244-D528 HydrophobicContact CB-CB 3.58Å; K244-D528 WeakPolarHBondContact CB-OD2 2.89Å; K244-D528 HydrophobicContact CD-CB 4.03Å; K244-D528 HydrophobicContact CG-CB 4.48Å; K244-D528 PolarHBondContact N-OD2 3.14Å; R340-D528 IonicContact CZ-OD1 3.43Å; R340-D528 IonicContact NH1-OD1 3.07Å; R340-D528 PolarHBondContact NH1-OD1 2.93Å; R340-D528 IonicContact NH2-OD1 3.42Å; R340-D528 PolarHBondContact NH2-OD1 2.93Å; R340-D528 IonicContact NH2-OD2 3.62Å; R340-D528 PolarHBondContact NH2-OD2 2.91Å; M523-D528 WeakPolarHBondContact CA-O 3.29Å; S524-D528 PolarHBondContact N-O 3.42Å; S524-D528 PolarHBondContact OG-N 2.96Å; S524-D528 VanDerWaalsContact OG-N 3.13Å; S524-D528 PolarHBondContact OG-O 3.01Å; S526-D528 VanDerWaalsContact C-N 3.29Å; D528-C530 PolarHBondContact O-N 3.3Å
529E89Confident82.9Confident51 Ų5136.4 Ų36.424%0.23818%0.183CC..BIsolated β-bridgetrans-75.6115.7172.5-169.9-173.6-179.800108.4R337 R340 Q521 M523R337-E529 IonicContact CZ-OE1 3.45Å; R337-E529 IonicContact NE-OE1 2.69Å; R337-E529 PolarHBondContact NE-OE1 3.31Å; R337-E529 IonicContact NH2-OE1 2.72Å; R340-E529 PolarHBondContact NH1-O 2.88Å; R340-E529 VanDerWaalsContact NH1-O 3.07Å; Q521-E529 HydrophobicContact CG-CG 4.22Å; M523-E529 HydrophobicContact SD-CB 3.89Å; M523-E529 HydrophobicContact SD-CG 4.15Å
530C89.1Confident83.3Confident3 Ų333.7 Ų33.72%0.0217%0.17CC..  trans-72.5150.3-177.7-63.80000111.6I240 Y241 C249 V522 D528I240-C530 HydrophobicContact CG2-CB 3.69Å; Y241-C530 CarbonylContact O-C 3.54Å; Y241-C530 VanDerWaalsContact O-CA 3.23Å; Y241-C530 WeakPolarHBondContact O-CA 3.36Å; Y241-C530 VanDerWaalsContact O-CB 3.31Å; Y241-C530 WeakPolarHBondContact O-CB 3.42Å; C249-C530 PolarHBondContact SG-SG 3.32Å; V522-C530 HydrophobicContact CB-CB 3.92Å; V522-C530 HydrophobicContact CG1-CB 3.84Å; V522-C530 WeakPolarHBondContact O-CB 3.36Å; V522-C530 PolarHBondContact O-N 2.89Å; D528-C530 PolarHBondContact O-N 3.3Å
531V92.6Very high83.8Confident8 Ų829.5 Ų29.55%0.04815%0.152CC..EExtended strand (participates in β ladder)trans-117.8178.2176-60.10000109.7I240 Y241 P243 R340 N341 F344I240-V531 CarbonylContact C-O 3.56Å; I240-V531 WeakPolarHBondContact CA-O 3.47Å; Y241-V531 HydrophobicContact CD1-CG2 4.49Å; Y241-V531 PolarHBondContact N-O 2.94Å; Y241-V531 PolarHBondContact O-N 2.83Å; P243-V531 HydrophobicContact CG-CG1 4.16Å; P243-V531 HydrophobicContact CG-CG2 3.75Å; R340-V531 HydrophobicContact CG-CG1 4.39Å; N341-V531 HydrophobicContact CB-CB 4.38Å; N341-V531 HydrophobicContact CB-CG1 4.4Å; F344-V531 HydrophobicContact CB-CG2 4.05Å; F344-V531 HydrophobicContact CD2-CG2 3.74Å; F344-V531 HydrophobicContact CE2-CG2 4.4Å; F344-V531 HydrophobicContact CG-CG2 3.92Å
532V91.5Very high84.2Confident0 Ų024.1 Ų24.10%013%0.127CC..EExtended strand (participates in β ladder)trans-97.7119.5163.1-177.70000108.3Y238 T239 I240 P262 N341 Q345 M516 P518Y238-V532 HydrophobicContact CD1-CG1 3.86Å; Y238-V532 HydrophobicContact CG-CG1 4.26Å; T239-V532 CarbonylContact O-C 3.59Å; T239-V532 WeakPolarHBondContact O-CA 3.36Å; I240-V532 HydrophobicContact CD1-CG2 3.8Å; P262-V532 HydrophobicContact CB-CG1 3.87Å; P262-V532 HydrophobicContact CB-CG2 3.77Å; N341-V532 PolarHBondContact OD1-N 2.91Å; N341-V532 PolarHBondContact OD1-O 3.18Å; N341-V532 VanDerWaalsContact OD1-O 3.08Å; Q345-V532 WeakPolarHBondContact CG-O 3.48Å; Q345-V532 PolarHBondContact NE2-O 3.49Å; M516-V532 HydrophobicContact CB-CB 3.89Å; M516-V532 HydrophobicContact CB-CG1 3.57Å; M516-V532 HydrophobicContact CB-CG2 4.22Å; M516-V532 HydrophobicContact CG-CG1 4.43Å; P518-V532 HydrophobicContact CG-CG2 4.05Å
533A89.4Confident84.6Confident2 Ų225 Ų252%0.01714%0.136CC..EExtended strand (participates in β ladder)trans-103.4145.8173.700000111R237 Y238 T239 Y241 F344R237-A533 VanDerWaalsContact O-O 3.14Å; Y238-A533 VanDerWaalsContact CA-O 3.3Å; Y238-A533 WeakPolarHBondContact CA-O 3.44Å; T239-A533 PolarHBondContact N-O 3.11Å; T239-A533 PolarHBondContact O-N 2.78Å; Y241-A533 HydrophobicContact CD1-CB 4Å; Y241-A533 HydrophobicContact CD2-CB 3.72Å; Y241-A533 HydrophobicContact CE2-CB 4.46Å; Y241-A533 HydrophobicContact CG-CB 3.44Å; Y241-A533 VanDerWaalsContact CG-CB 3.44Å; F344-A533 HydrophobicContact CB-CB 3.83Å; F344-A533 HydrophobicContact CD1-CB 4.37Å; F344-A533 HydrophobicContact CG-CB 4.47Å; F344-A533 CarbonylContact O-C 3.54Å; F344-A533 VanDerWaalsContact O-CA 3.32Å; F344-A533 WeakPolarHBondContact O-CA 3.28Å
534L88.1Confident85.2Confident48 Ų4825.2 Ų25.225%0.25114%0.139SC..EExtended strand (participates in β ladder)trans-94.284167.4-17760.9000108.3K236 R237 Y238 F344K236-L534 HydrophobicContact CB-CD1 3.8Å; K236-L534 HydrophobicContact CB-CG 3.95Å; K236-L534 HydrophobicContact CD-CG 4.43Å; R237-L534 WeakPolarHBondContact O-CA 3.49Å; Y238-L534 HydrophobicContact CD1-CB 4.01Å; Y238-L534 HydrophobicContact CD1-CD1 4.07Å; Y238-L534 HydrophobicContact CD2-CD1 4.25Å; Y238-L534 HydrophobicContact CE1-CB 3.87Å; Y238-L534 HydrophobicContact CE1-CD1 4.05Å; Y238-L534 HydrophobicContact CE1-CD2 4.37Å; Y238-L534 HydrophobicContact CE1-CG 4.31Å; Y238-L534 HydrophobicContact CE2-CD1 4.21Å; Y238-L534 HydrophobicContact CG-CD1 4.2Å; F344-L534 PolarHBondContact O-N 3.14Å
535C80.8Confident86.2Confident23 Ų2328.9 Ų28.916%0.15517%0.169CC..EExtended strand (participates in β ladder)trans-106151.3-174.963.50000112.2K236 R237 T239 Q537K236-C535 WeakPolarHBondContact CA-O 3.49Å; R237-C535 PolarHBondContact N-O 3.46Å; R237-C535 PolarHBondContact O-N 2.97Å; T239-C535 WeakPolarHBondContact CG2-SG 3.31Å; C535-Q537 PolarHBondContact O-N 2.73Å
536D82.9Confident87.6Confident70 Ų7030.2 Ų30.237%0.37418%0.179SC..EExtended strand (participates in β ladder)trans-64.3128.9170-69-53.3000110.2F234 K236 W597F234-D536 HydrophobicContact CE1-CB 4.19Å; F234-D536 HydrophobicContact CE2-CB 4.05Å; F234-D536 HydrophobicContact CZ-CB 3.53Å; K236-D536 WeakPolarHBondContact CE-OD1 3.41Å; K236-D536 WeakPolarHBondContact CG-OD1 3.46Å; D536-W597 WeakPolarHBondContact O-CH2 3.24Å
537Q83.9Confident89.3Confident2 Ų229.2 Ų29.21%0.00917%0.172CC..EExtended strand (participates in β ladder)trans-149.9145.1-177-156.9169.222.600112.1G235 C535 A580 S582 R583G235-Q537 PolarHBondContact N-O 2.92Å; G235-Q537 VanDerWaalsContact N-O 3.16Å; G235-Q537 PolarHBondContact O-N 2.69Å; C535-Q537 PolarHBondContact O-N 2.73Å; Q537-A580 HydrophobicContact CG-CB 4.25Å; Q537-S582 VanDerWaalsContact CG-OG 3.23Å; Q537-S582 WeakPolarHBondContact CG-OG 3.49Å; Q537-S582 PolarHBondContact NE2-O 3.06Å; Q537-R583 VanDerWaalsContact NE2-NH1 3.18Å
538W90.7Very high90.4Very high33 Ų3328.1 Ų28.113%0.12516%0.156CC..EExtended strand (participates in β ladder)trans-82.8134.2166.6-66.196.3000109.8I232 K233 F234 C581 S582 L591 W593 D594 W597I232-W538 HydrophobicContact CG2-CE3 3.56Å; I232-W538 HydrophobicContact CG2-CZ3 4.11Å; K233-W538 WeakPolarHBondContact O-CA 3.11Å; F234-W538 HydrophobicContact CB-CD2 4.06Å; F234-W538 HydrophobicContact CB-CE3 3.77Å; F234-W538 HydrophobicContact CB-CH2 3.98Å; F234-W538 HydrophobicContact CB-CZ2 4.23Å; F234-W538 HydrophobicContact CB-CZ3 3.75Å; F234-W538 AromaticContact CD2-CD1 3.84Å; F234-W538 AromaticContact CD2-CD2 3.69Å; F234-W538 HydrophobicContact CD2-CD2 3.69Å; F234-W538 AromaticContact CD2-CE2 3.57Å; F234-W538 HydrophobicContact CD2-CE3 4.29Å; F234-W538 AromaticContact CD2-CG 3.88Å; F234-W538 HydrophobicContact CD2-CG 3.88Å; F234-W538 HydrophobicContact CD2-CZ2 4.08Å; F234-W538 AromaticContact CD2-NE1 3.64Å; F234-W538 AromaticContact CE2-NE1 3.88Å; F234-W538 HydrophobicContact CG-CD2 4.33Å; F234-W538 HydrophobicContact CG-CZ2 4.34Å; W538-C581 PolarHBondContact O-N 3.19Å; W538-C581 PolarHBondContact O-SG 3.17Å; W538-S582 PolarHBondContact N-OG 3.44Å; W538-S582 PolarHBondContact O-N 3.18Å; W538-S582 PolarHBondContact O-OG 2.96Å; W538-L591 HydrophobicContact CB-CD1 4.03Å; W538-L591 HydrophobicContact CD2-CD1 4.45Å; W538-L591 HydrophobicContact CG-CD1 3.77Å; W538-W593 AromaticContact CD2-NE1 3.89Å; W538-W593 AromaticContact CE2-NE1 3.51Å; W538-W593 AromaticContact CE3-NE1 3.97Å; W538-W593 AromaticContact CH2-CD1 3.82Å; W538-W593 AromaticContact CH2-NE1 3.33Å; W538-W593 VanDerWaalsContact CH2-NE1 3.33Å; W538-W593 AromaticContact CZ2-CD1 3.57Å; W538-W593 AromaticContact CZ2-NE1 3.23Å; W538-W593 AromaticContact CZ3-NE1 3.71Å; W538-D594 PolarHBondContact NE1-OD2 2.82Å; W538-W597 AromaticContact CD1-CD1 3.59Å; W538-W597 AromaticContact CD1-NE1 3.74Å; W538-W597 AromaticContact NE1-CD1 3.73Å; W538-W597 AromaticContact NE1-NE1 3.84Å
539Y90.3Very high91.1Very high28 Ų2834 Ų3411%0.1118%0.184CC..EExtended strand (participates in β ladder)trans-140.8153.7-177.764-95.2000112.2I232 K233 R237 D541 E578 H579I232-Y539 WeakPolarHBondContact CA-O 3.37Å; K233-Y539 HydrophobicContact CB-CD2 4.22Å; K233-Y539 HydrophobicContact CB-CE1 3.95Å; K233-Y539 HydrophobicContact CB-CE2 3.57Å; K233-Y539 WeakPolarHBondContact CB-OH 3.35Å; K233-Y539 HydrophobicContact CD-CE2 4.13Å; K233-Y539 HydrophobicContact CG-CE2 4.36Å; K233-Y539 PolarHBondContact N-O 3.44Å; K233-Y539 PolarHBondContact O-N 3.31Å; R237-Y539 HydrophobicContact CG-CD1 4.49Å; R237-Y539 VanDerWaalsContact NE-CD1 3.3Å; R237-Y539 VanDerWaalsContact NH2-CE2 3.3Å; R237-Y539 VanDerWaalsContact NH2-CZ 3.26Å; Y539-D541 HydrophobicContact CE2-CB 4.37Å; Y539-E578 HydrophobicContact CD2-CB 3.53Å; Y539-E578 HydrophobicContact CD2-CG 4.04Å; Y539-E578 HydrophobicContact CE2-CB 3.87Å; Y539-E578 HydrophobicContact CE2-CG 3.84Å; Y539-E578 HydrophobicContact CG-CB 4.31Å; Y539-H579 CarbonylContact C-O 3.59Å; Y539-H579 VanDerWaalsContact CA-O 3.24Å; Y539-H579 WeakPolarHBondContact CA-O 3.17Å; Y539-H579 VanDerWaalsContact CB-O 3.3Å; Y539-H579 WeakPolarHBondContact CB-O 3.42Å
540L92.9Very high91.4Very high0 Ų034 Ų340%018%0.184CC..EExtended strand (participates in β ladder)trans-86.8127.4170.6-69165.1000109.3L226 K231 I232 Y542 W547 E578 H579 C581L226-L540 HydrophobicContact CD1-CD2 3.81Å; K231-L540 WeakPolarHBondContact O-CA 3.45Å; I232-L540 HydrophobicContact CD1-CD2 4.38Å; I232-L540 HydrophobicContact CG1-CD2 3.58Å; L540-Y542 HydrophobicContact CB-CD2 4.38Å; L540-Y542 HydrophobicContact CB-CE1 4.17Å; L540-Y542 HydrophobicContact CB-CE2 4Å; L540-Y542 HydrophobicContact CD1-CE2 4.35Å; L540-Y542 WeakPolarHBondContact CD1-OH 3.42Å; L540-Y542 PolarHBondContact O-N 2.91Å; L540-Y542 VanDerWaalsContact O-N 3.16Å; L540-W547 HydrophobicContact CD2-CH2 4.46Å; L540-E578 VanDerWaalsContact O-CA 3.32Å; L540-E578 WeakPolarHBondContact O-CA 3.19Å; L540-H579 PolarHBondContact N-O 3.49Å; L540-H579 PolarHBondContact O-N 3.22Å; L540-C581 HydrophobicContact CD1-CB 4.07Å; L540-C581 HydrophobicContact CG-CB 4.11Å
541D94.6Very high91.7Very high12 Ų1233.9 Ų33.96%0.06418%0.183CC..EExtended strand (participates in β ladder)trans-89.664.7-174.7-171.618.7000112.5K231 K233 Y539 G543 D544 W547K231-D541 PolarHBondContact O-N 3.19Å; K233-D541 HydrophobicContact CD-CB 4.15Å; K233-D541 WeakPolarHBondContact CE-OD2 3.33Å; K233-D541 IonicContact NZ-OD2 2.87Å; K233-D541 PolarHBondContact NZ-OD2 2.81Å; Y539-D541 HydrophobicContact CE2-CB 4.37Å; D541-G543 PolarHBondContact O-N 3Å; D541-D544 VanDerWaalsContact O-CB 3.3Å; D541-D544 WeakPolarHBondContact O-CB 3.37Å; D541-D544 PolarHBondContact O-N 3.36Å; D541-D544 VanDerWaalsContact O-N 3.16Å; D541-W547 VanDerWaalsContact O-CE3 3.27Å
542Y93.1Very high91.9Very high0 Ų036 Ų360%019%0.194CC..THydrogen-bonded Turntrans-69.2-7.4175.8-50.2-57.4000113.2L540 D544 W547 K548 L576 Q577 H579 Y692 Y695 N696L540-Y542 HydrophobicContact CB-CD2 4.38Å; L540-Y542 HydrophobicContact CB-CE1 4.17Å; L540-Y542 HydrophobicContact CB-CE2 4Å; L540-Y542 HydrophobicContact CD1-CE2 4.35Å; L540-Y542 WeakPolarHBondContact CD1-OH 3.42Å; L540-Y542 PolarHBondContact O-N 2.91Å; L540-Y542 VanDerWaalsContact O-N 3.16Å; Y542-D544 VanDerWaalsContact C-N 3.27Å; Y542-W547 HydrophobicContact CD1-CD2 4.49Å; Y542-W547 HydrophobicContact CD1-CE3 4.08Å; Y542-W547 AromaticContact CD1-CH2 3.6Å; Y542-W547 HydrophobicContact CD1-CH2 3.6Å; Y542-W547 HydrophobicContact CD1-CZ2 4.03Å; Y542-W547 AromaticContact CD1-CZ3 3.61Å; Y542-W547 HydrophobicContact CD1-CZ3 3.61Å; Y542-W547 AromaticContact CE1-CH2 3.48Å; Y542-W547 HydrophobicContact CE1-CH2 3.48Å; Y542-W547 VanDerWaalsContact CE1-CH2 3.48Å; Y542-W547 AromaticContact CE1-CZ2 3.87Å; Y542-W547 HydrophobicContact CE1-CZ2 3.87Å; Y542-W547 AromaticContact CE1-CZ3 3.98Å; Y542-W547 HydrophobicContact CE1-CZ3 3.98Å; Y542-K548 WeakPolarHBondContact O-CE 3.48Å; Y542-L576 HydrophobicContact CD2-CD2 3.56Å; Y542-L576 HydrophobicContact CD2-CG 4.04Å; Y542-L576 HydrophobicContact CE2-CD2 4.31Å; Y542-L576 HydrophobicContact CG-CD2 3.79Å; Y542-L576 HydrophobicContact CG-CG 4.37Å; Y542-Q577 CarbonylContact C-O 3.55Å; Y542-Q577 VanDerWaalsContact C-O 3.31Å; Y542-Q577 WeakPolarHBondContact CA-O 3.37Å; Y542-Q577 WeakPolarHBondContact CB-O 3.4Å; Y542-Q577 PolarHBondContact N-O 3.47Å; Y542-H579 HydrophobicContact CD2-CB 3.78Å; Y542-H579 HydrophobicContact CE2-CB 3.66Å; Y542-Y692 HydrophobicContact CD2-CD1 4.14Å; Y542-Y692 HydrophobicContact CD2-CE1 4.17Å; Y542-Y692 AromaticContact CE2-CD1 3.43Å; Y542-Y692 HydrophobicContact CE2-CD1 3.43Å; Y542-Y692 VanDerWaalsContact CE2-CD1 3.43Å; Y542-Y692 AromaticContact CE2-CE1 3.7Å; Y542-Y692 HydrophobicContact CE2-CE1 3.7Å; Y542-Y692 AromaticContact CE2-CG 3.95Å; Y542-Y692 HydrophobicContact CE2-CG 3.95Å; Y542-Y692 AromaticContact CZ-CD1 3.8Å; Y542-Y692 AromaticContact CZ-CG 3.99Å; Y542-Y692 WeakPolarHBondContact OH-CB 3.27Å; Y542-Y695 AromaticContact CD1-CD1 3.58Å; Y542-Y695 HydrophobicContact CD1-CD1 3.58Å; Y542-Y695 AromaticContact CD1-CD2 3.9Å; Y542-Y695 HydrophobicContact CD1-CD2 3.9Å; Y542-Y695 HydrophobicContact CD1-CE1 4.15Å; Y542-Y695 HydrophobicContact CD1-CE2 4.42Å; Y542-Y695 AromaticContact CD1-CG 3.46Å; Y542-Y695 HydrophobicContact CD1-CG 3.46Å; Y542-Y695 VanDerWaalsContact CD1-CG 3.46Å; Y542-Y695 HydrophobicContact CE1-CD1 4.31Å; Y542-Y695 HydrophobicContact CE1-CD2 4.33Å; Y542-Y695 AromaticContact CE1-CG 3.84Å; Y542-Y695 HydrophobicContact CE1-CG 3.84Å; Y542-Y695 HydrophobicContact CG-CD1 4.32Å; Y542-Y695 HydrophobicContact CG-CD2 4.25Å; Y542-Y695 HydrophobicContact CG-CE1 4.5Å; Y542-Y695 HydrophobicContact CG-CE2 4.41Å; Y542-Y695 HydrophobicContact CG-CG 4.22Å; Y542-Y695 PolarHBondContact O-OH 3.04Å; Y542-N696 PolarHBondContact OH-ND2 3.48Å; Y542-N696 VanDerWaalsContact OH-ND2 3.09Å
543G90.5Very high92.1Very high20 Ų2038.2 Ų38.221%0.20621%0.212CC..THydrogen-bonded Turntrans-73.5-16.9171.100000113.5D541 A545 Q577D541-G543 PolarHBondContact O-N 3Å; G543-A545 PolarHBondContact O-N 3.05Å; G543-Q577 PolarHBondContact N-O 2.86Å; G543-Q577 VanDerWaalsContact N-O 3.08Å
544D94.8Very high92.4Very high45 Ų4538.2 Ų38.224%0.24121%0.212CC..  trans-54.3120177179-125.7000111.6K231 D541 Y542 E546 W547 K548K231-D544 IonicContact NZ-OD1 2.65Å; K231-D544 PolarHBondContact NZ-OD1 3.15Å; D541-D544 VanDerWaalsContact O-CB 3.3Å; D541-D544 WeakPolarHBondContact O-CB 3.37Å; D541-D544 PolarHBondContact O-N 3.36Å; D541-D544 VanDerWaalsContact O-N 3.16Å; Y542-D544 VanDerWaalsContact C-N 3.27Å; D544-E546 VanDerWaalsContact C-N 3.32Å; D544-E546 PolarHBondContact O-N 3.43Å; D544-W547 HydrophobicContact CB-CB 3.99Å; D544-W547 PolarHBondContact O-N 3.46Å; D544-W547 VanDerWaalsContact OD1-CB 3.27Å; D544-W547 WeakPolarHBondContact OD1-CB 3.21Å; D544-W547 PolarHBondContact OD1-N 2.79Å; D544-K548 VanDerWaalsContact O-CB 3.32Å; D544-K548 WeakPolarHBondContact O-CB 3.49Å; D544-K548 PolarHBondContact O-N 3.17Å
545A94.8Very high92.8Very high77 Ų7736.1 Ų36.164%0.63620%0.201SC*.Hα-helixtrans-62.4-38.9-17200000112.4G543 Q549G543-A545 PolarHBondContact O-N 3.05Å; A545-Q549 WeakPolarHBondContact O-CB 3.34Å; A545-Q549 PolarHBondContact O-N 3.36Å
546E95.6Very high93.6Very high117 Ų11743.4 Ų43.455%0.54723%0.23SC..Hα-helixtrans-66.2-48.7177.3-170.8-173168.100110.6D544 K548 Q549 Q550D544-E546 VanDerWaalsContact C-N 3.32Å; D544-E546 PolarHBondContact O-N 3.43Å; E546-K548 PolarHBondContact O-N 2.92Å; E546-Q549 WeakPolarHBondContact O-CB 3.38Å; E546-Q549 PolarHBondContact O-N 2.82Å; E546-Q550 WeakPolarHBondContact O-CG 3.24Å; E546-Q550 PolarHBondContact O-N 3.34Å; E546-Q550 PolarHBondContact OE1-NE2 3.05Å
547W96.4Very high94.1Very high0 Ų043.8 Ų43.80%024%0.238CC..Hα-helixtrans-62.2-43.3179.3-161.85.6000112.5K231 L540 D541 Y542 D544 Q549 Q550 A551 Y695 A699K231-W547 HydrophobicContact CB-CE3 4.15Å; K231-W547 HydrophobicContact CB-CH2 3.72Å; K231-W547 HydrophobicContact CB-CZ2 4.42Å; K231-W547 HydrophobicContact CB-CZ3 3.56Å; K231-W547 HydrophobicContact CD-CD2 3.83Å; K231-W547 HydrophobicContact CD-CE3 3.55Å; K231-W547 HydrophobicContact CD-CG 4.37Å; K231-W547 HydrophobicContact CD-CH2 4.49Å; K231-W547 HydrophobicContact CD-CZ3 3.91Å; K231-W547 HydrophobicContact CG-CD2 4.29Å; K231-W547 HydrophobicContact CG-CE3 4.03Å; K231-W547 HydrophobicContact CG-CH2 4.06Å; K231-W547 HydrophobicContact CG-CZ2 4.32Å; K231-W547 HydrophobicContact CG-CZ3 3.91Å; L540-W547 HydrophobicContact CD2-CH2 4.46Å; D541-W547 VanDerWaalsContact O-CE3 3.27Å; Y542-W547 HydrophobicContact CD1-CD2 4.49Å; Y542-W547 HydrophobicContact CD1-CE3 4.08Å; Y542-W547 AromaticContact CD1-CH2 3.6Å; Y542-W547 HydrophobicContact CD1-CH2 3.6Å; Y542-W547 HydrophobicContact CD1-CZ2 4.03Å; Y542-W547 AromaticContact CD1-CZ3 3.61Å; Y542-W547 HydrophobicContact CD1-CZ3 3.61Å; Y542-W547 AromaticContact CE1-CH2 3.48Å; Y542-W547 HydrophobicContact CE1-CH2 3.48Å; Y542-W547 VanDerWaalsContact CE1-CH2 3.48Å; Y542-W547 AromaticContact CE1-CZ2 3.87Å; Y542-W547 HydrophobicContact CE1-CZ2 3.87Å; Y542-W547 AromaticContact CE1-CZ3 3.98Å; Y542-W547 HydrophobicContact CE1-CZ3 3.98Å; D544-W547 HydrophobicContact CB-CB 3.99Å; D544-W547 PolarHBondContact O-N 3.46Å; D544-W547 VanDerWaalsContact OD1-CB 3.27Å; D544-W547 WeakPolarHBondContact OD1-CB 3.21Å; D544-W547 PolarHBondContact OD1-N 2.79Å; W547-Q549 VanDerWaalsContact C-N 3.32Å; W547-Q549 PolarHBondContact O-N 2.82Å; W547-Q550 PolarHBondContact O-N 3.27Å; W547-A551 WeakPolarHBondContact O-CB 3.49Å; W547-A551 PolarHBondContact O-N 3.44Å; W547-Y695 HydrophobicContact CB-CE1 4.42Å; W547-Y695 AromaticContact CD1-CD1 3.65Å; W547-Y695 AromaticContact CD2-CD1 3.68Å; W547-Y695 HydrophobicContact CD2-CD1 3.68Å; W547-Y695 HydrophobicContact CD2-CE1 4.31Å; W547-Y695 AromaticContact CE2-CD1 3.62Å; W547-Y695 HydrophobicContact CE3-CD1 4.35Å; W547-Y695 AromaticContact CG-CD1 3.72Å; W547-Y695 HydrophobicContact CG-CD1 3.72Å; W547-Y695 HydrophobicContact CG-CE1 4.09Å; W547-Y695 HydrophobicContact CZ2-CD1 4.27Å; W547-Y695 AromaticContact NE1-CD1 3.57Å; W547-Y695 PolarHBondContact NE1-O 2.93Å; W547-A699 HydrophobicContact CZ2-CB 3.55Å
548K96.3Very high94.7Very high33 Ų3343.7 Ų43.714%0.14324%0.238CC..Hα-helixtrans-60.7-40.1175.2-178.6172.4-63.5-171.20111.7Y542 D544 E546 A551 N552 L573 A574 L576 Y695Y542-K548 WeakPolarHBondContact O-CE 3.48Å; D544-K548 VanDerWaalsContact O-CB 3.32Å; D544-K548 WeakPolarHBondContact O-CB 3.49Å; D544-K548 PolarHBondContact O-N 3.17Å; E546-K548 PolarHBondContact O-N 2.92Å; K548-A551 PolarHBondContact O-N 3.39Å; K548-N552 WeakPolarHBondContact O-CB 3.37Å; K548-N552 PolarHBondContact O-N 2.78Å; K548-N552 PolarHBondContact O-ND2 3.03Å; K548-L573 WeakPolarHBondContact CD-O 3.05Å; K548-L573 WeakPolarHBondContact CE-O 3.21Å; K548-L573 PolarHBondContact NZ-O 2.64Å; K548-A574 PolarHBondContact NZ-O 2.83Å; K548-L576 WeakPolarHBondContact CE-O 3.37Å; K548-L576 PolarHBondContact NZ-O 3.41Å; K548-Y695 HydrophobicContact CB-CE1 4.32Å; K548-Y695 WeakPolarHBondContact CB-OH 3.23Å; K548-Y695 WeakPolarHBondContact CG-OH 3.33Å
549Q95.8Very high95.1Very high143 Ų14346.9 Ų46.967%0.66825%0.254SS*.Hα-helixtrans-64.1-43.7176-173.818012.200111.7A545 E546 W547 N552 A553A545-Q549 WeakPolarHBondContact O-CB 3.34Å; A545-Q549 PolarHBondContact O-N 3.36Å; E546-Q549 WeakPolarHBondContact O-CB 3.38Å; E546-Q549 PolarHBondContact O-N 2.82Å; W547-Q549 VanDerWaalsContact C-N 3.32Å; W547-Q549 PolarHBondContact O-N 2.82Å; Q549-N552 PolarHBondContact O-N 2.89Å; Q549-A553 PolarHBondContact O-N 3.35Å
550Q95Very high95.4Very high51 Ų5145.7 Ų45.724%0.23825%0.249CC..Hα-helixtrans-67.5-38.3177.9-58.8174.6000111.7E546 W547 N552 A553 A554 V698E546-Q550 WeakPolarHBondContact O-CG 3.24Å; E546-Q550 PolarHBondContact O-N 3.34Å; E546-Q550 PolarHBondContact OE1-NE2 3.05Å; W547-Q550 PolarHBondContact O-N 3.27Å; Q550-N552 PolarHBondContact O-N 2.89Å; Q550-A553 WeakPolarHBondContact O-CB 3.47Å; Q550-A553 PolarHBondContact O-N 3.1Å; Q550-A553 VanDerWaalsContact O-N 3.15Å; Q550-A554 PolarHBondContact O-N 3.02Å; Q550-V698 HydrophobicContact CB-CG1 3.31Å; Q550-V698 HydrophobicContact CG-CG1 4.35Å
551A96.4Very high95.5Very high0 Ų048.6 Ų48.60%026%0.262CS..Hα-helixtrans-62.4-41173.500000112.1W547 K548 A553 A554 L555 L573 Y695W547-A551 WeakPolarHBondContact O-CB 3.49Å; W547-A551 PolarHBondContact O-N 3.44Å; K548-A551 PolarHBondContact O-N 3.39Å; A551-A553 VanDerWaalsContact C-N 3.31Å; A551-A553 PolarHBondContact O-N 3.25Å; A551-A554 PolarHBondContact O-N 2.94Å; A551-L555 PolarHBondContact O-N 3.13Å; A551-L573 HydrophobicContact CB-CD2 4.44Å; A551-Y695 HydrophobicContact CB-CD1 3.89Å; A551-Y695 HydrophobicContact CB-CD2 4.31Å; A551-Y695 HydrophobicContact CB-CE1 3.85Å; A551-Y695 HydrophobicContact CB-CE2 4.28Å; A551-Y695 HydrophobicContact CB-CG 4.12Å
552N96.3Very high95.5Very high52 Ų5250.1 Ų50.128%0.27827%0.273SS..Hα-helixtrans-64-35.4172.4-82.3-70.1000112.3K548 Q549 Q550 L555 K556K548-N552 WeakPolarHBondContact O-CB 3.37Å; K548-N552 PolarHBondContact O-N 2.78Å; K548-N552 PolarHBondContact O-ND2 3.03Å; Q549-N552 PolarHBondContact O-N 2.89Å; Q550-N552 PolarHBondContact O-N 2.89Å; N552-L555 PolarHBondContact O-N 2.76Å; N552-K556 WeakPolarHBondContact O-CG 3.38Å; N552-K556 PolarHBondContact O-N 3.25Å; N552-K556 VanDerWaalsContact O-N 3.15Å
553A95.4Very high95.6Very high47 Ų4755.8 Ų55.839%0.38830%0.3SS..Hα-helixtrans-64.8-42.9174.200000111.6Q549 Q550 A551 K556Q549-A553 PolarHBondContact O-N 3.35Å; Q550-A553 WeakPolarHBondContact O-CB 3.47Å; Q550-A553 PolarHBondContact O-N 3.1Å; Q550-A553 VanDerWaalsContact O-N 3.15Å; A551-A553 VanDerWaalsContact C-N 3.31Å; A551-A553 PolarHBondContact O-N 3.25Å; A553-K556 WeakPolarHBondContact O-CB 3.34Å; A553-K556 PolarHBondContact O-N 3.23Å
554A95.9Very high95.8Very high2 Ų259.5 Ų59.52%0.01731%0.312CS..Hα-helixtrans-63.9-38.6174.200000112.5Q550 A551 K556 S557 L558 V698 W708Q550-A554 PolarHBondContact O-N 3.02Å; A551-A554 PolarHBondContact O-N 2.94Å; A554-K556 VanDerWaalsContact C-N 3.29Å; A554-K556 PolarHBondContact O-N 2.74Å; A554-S557 PolarHBondContact O-N 3.22Å; A554-S557 PolarHBondContact O-OG 3.16Å; A554-L558 PolarHBondContact O-N 2.79Å; A554-L558 VanDerWaalsContact O-N 3.11Å; A554-V698 HydrophobicContact CB-CG2 3.56Å; A554-W708 HydrophobicContact CB-CD2 4.11Å; A554-W708 HydrophobicContact CB-CE3 3.53Å; A554-W708 HydrophobicContact CB-CZ3 3.94Å
555L97.4Very high95.9Very high3 Ų357.4 Ų57.42%0.01630%0.301CS..Hα-helixtrans-62.1-34.3175.8179.862.1000112.5A551 N552 S557 L558 T560 R566 F569 E570 L573 L694A551-L555 PolarHBondContact O-N 3.13Å; N552-L555 PolarHBondContact O-N 2.76Å; L555-S557 VanDerWaalsContact C-N 3.33Å; L555-S557 PolarHBondContact O-N 2.9Å; L555-L558 HydrophobicContact CD1-CD2 4Å; L555-L558 WeakPolarHBondContact O-CB 3.5Å; L555-L558 PolarHBondContact O-N 2.76Å; L555-T560 HydrophobicContact CD1-CG2 4.44Å; L555-R566 PolarHBondContact O-NH1 3.03Å; L555-F569 HydrophobicContact CD1-CB 3.68Å; L555-F569 HydrophobicContact CD1-CD2 4.03Å; L555-F569 HydrophobicContact CD1-CG 3.88Å; L555-F569 HydrophobicContact CD2-CB 3.66Å; L555-F569 HydrophobicContact CG-CB 4.35Å; L555-E570 HydrophobicContact CD2-CG 3.79Å; L555-L573 HydrophobicContact CB-CD1 4.27Å; L555-L573 HydrophobicContact CD2-CD1 3.7Å; L555-L694 HydrophobicContact CD1-CD1 4.26Å
556K95.5Very high96Very high176 Ų17655.7 Ų55.777%0.76528%0.278SS*.Hα-helixtrans-63.2-37.6177.3-73.5176.2-178.2-176.70112.6N552 A553 A554N552-K556 WeakPolarHBondContact O-CG 3.38Å; N552-K556 PolarHBondContact O-N 3.25Å; N552-K556 VanDerWaalsContact O-N 3.15Å; A553-K556 WeakPolarHBondContact O-CB 3.34Å; A553-K556 PolarHBondContact O-N 3.23Å; A554-K556 VanDerWaalsContact C-N 3.29Å; A554-K556 PolarHBondContact O-N 2.74Å
557S94.3Very high96Very high78 Ų7858.1 Ų58.155%0.54528%0.282SS..Hα-helixtrans-82-16.7176.3490000113.9A554 L555A554-S557 PolarHBondContact O-N 3.22Å; A554-S557 PolarHBondContact O-OG 3.16Å; L555-S557 VanDerWaalsContact C-N 3.33Å; L555-S557 PolarHBondContact O-N 2.9Å
558L97.4Very high95.8Very high1 Ų161.3 Ų61.31%0.00530%0.299CS..SBendtrans-73.7130-177.3-17276000111.4A554 L555 T560 R566 F569 L694 P709 V712A554-L558 PolarHBondContact O-N 2.79Å; A554-L558 VanDerWaalsContact O-N 3.11Å; L555-L558 HydrophobicContact CD1-CD2 4Å; L555-L558 WeakPolarHBondContact O-CB 3.5Å; L555-L558 PolarHBondContact O-N 2.76Å; L558-T560 HydrophobicContact CD2-CG2 4.2Å; L558-T560 HydrophobicContact CG-CG2 4.48Å; L558-R566 PolarHBondContact O-NH2 3.37Å; L558-F569 HydrophobicContact CD2-CE2 4.49Å; L558-L694 HydrophobicContact CD1-CD2 4.37Å; L558-L694 HydrophobicContact CD2-CD1 4.07Å; L558-L694 HydrophobicContact CD2-CD2 4.06Å; L558-P709 HydrophobicContact CD1-CB 3.85Å; L558-P709 VanDerWaalsContact CD1-O 3.31Å; L558-P709 WeakPolarHBondContact CD1-O 3.22Å; L558-V712 HydrophobicContact CD1-CG2 4.12Å; L558-V712 HydrophobicContact CD2-CB 4.21Å; L558-V712 HydrophobicContact CD2-CG2 3.99Å; L558-V712 HydrophobicContact CG-CG2 4.48Å
559E97.6Very high95.8Very high100 Ų10059.7 Ų59.747%0.46729%0.292SS..BIsolated β-bridgetrans-79.3125.2168.917654.3-105.900110.7F561 Q710 A711 V712E559-F561 HydrophobicContact CG-CD2 4.17Å; E559-F561 HydrophobicContact CG-CE2 4.12Å; E559-F561 WeakPolarHBondContact OE1-CA 3.35Å; E559-F561 PolarHBondContact OE1-N 3.5Å; E559-Q710 PolarHBondContact N-O 2.63Å; E559-A711 HydrophobicContact CB-CB 3.82Å; E559-A711 HydrophobicContact CG-CB 4.31Å; E559-A711 CarbonylContact O-C 3.46Å; E559-A711 VanDerWaalsContact O-CA 3.28Å; E559-A711 WeakPolarHBondContact O-CA 3.32Å; E559-V712 PolarHBondContact O-N 2.87Å
560T97.1Very high95.8Very high2 Ų257.2 Ų57.21%0.01228%0.28CS..  trans-113.61.1-174.160.70000114.1L555 L558 C562 R566 F569 V712L555-T560 HydrophobicContact CD1-CG2 4.44Å; L558-T560 HydrophobicContact CD2-CG2 4.2Å; L558-T560 HydrophobicContact CG-CG2 4.48Å; T560-C562 PolarHBondContact O-N 3.08Å; T560-C562 PolarHBondContact OG1-O 3.35Å; T560-R566 HydrophobicContact CG2-CB 4.29Å; T560-F569 HydrophobicContact CG2-CD2 4.34Å; T560-F569 HydrophobicContact CG2-CE2 4.48Å; T560-V712 CarbonylContact C-O 3.5Å; T560-V712 WeakPolarHBondContact CA-O 3.46Å
561F95.8Very high95.7Very high62 Ų6257.2 Ų57.227%0.27229%0.289SS..SBendtrans61.4-16.7-179-66.5-103.9000115.9E559 A711 R713 M823E559-F561 HydrophobicContact CG-CD2 4.17Å; E559-F561 HydrophobicContact CG-CE2 4.12Å; E559-F561 WeakPolarHBondContact OE1-CA 3.35Å; E559-F561 PolarHBondContact OE1-N 3.5Å; F561-A711 HydrophobicContact CE2-CB 3.93Å; F561-R713 HydrophobicContact CB-CG 4.41Å; F561-R713 HydrophobicContact CD1-CG 4.33Å; F561-R713 HydrophobicContact CD2-CB 3.76Å; F561-R713 HydrophobicContact CD2-CG 4.04Å; F561-R713 HydrophobicContact CE2-CB 3.85Å; F561-R713 HydrophobicContact CE2-CG 4.38Å; F561-R713 HydrophobicContact CG-CB 4.26Å; F561-R713 HydrophobicContact CG-CG 4.01Å; F561-R713 HydrophobicContact CZ-CB 4.43Å; F561-M823 HydrophobicContact CD1-CB 4.43Å; F561-M823 HydrophobicContact CE1-CB 3.89Å; F561-M823 HydrophobicContact CE1-CG 3.72Å; F561-M823 HydrophobicContact CE1-SD 3.76Å; F561-M823 HydrophobicContact CZ-CE 4.24Å; F561-M823 HydrophobicContact CZ-CG 4.18Å; F561-M823 HydrophobicContact CZ-SD 3.65Å
562C94.4Very high95.2Very high43 Ų4357.8 Ų57.829%0.29129%0.292SS..SBendtrans-156.4159.3169.868.80000112T560 T565 R566 V758T560-C562 PolarHBondContact O-N 3.08Å; T560-C562 PolarHBondContact OG1-O 3.35Å; C562-T565 PolarHBondContact SG-OG1 2.88Å; C562-R566 PolarHBondContact O-N 3.35Å; C562-V758 VanDerWaalsContact SG-CG2 3.52Å
563E95.4Very high95Very high119 Ų11955.3 Ų55.356%0.55628%0.279SS*.Hα-helixtrans-68.6-31.2178.5-72.7-60.3131.800113.4R566 R567E563-R566 PolarHBondContact O-N 2.66Å; E563-R567 WeakPolarHBondContact O-CG 3.46Å; E563-R567 PolarHBondContact O-N 3.32Å
564E94.6Very high94.7Very high99 Ų9956.2 Ų56.246%0.46329%0.287SS..Hα-helixtrans-63.3-44.2179.1-172.9-173.8166.400111.7R566 R567 N568E564-R566 VanDerWaalsContact C-N 3.33Å; E564-R566 PolarHBondContact O-N 3.29Å; E564-R567 PolarHBondContact O-N 3.4Å; E564-N568 PolarHBondContact O-N 3.27Å; E564-N568 PolarHBondContact O-ND2 3.2Å
565T95.8Very high94.1Very high1 Ų164.9 Ų64.91%0.00632%0.319CS..Hα-helixtrans-62.9-41.4176.1-60.60000111C562 N568 F569 V686 A714C562-T565 PolarHBondContact SG-OG1 2.88Å; T565-N568 PolarHBondContact O-N 2.96Å; T565-F569 HydrophobicContact CG2-CD2 4.01Å; T565-F569 HydrophobicContact CG2-CE2 3.77Å; T565-F569 VanDerWaalsContact O-CD2 3.29Å; T565-F569 WeakPolarHBondContact O-CD2 3.31Å; T565-F569 PolarHBondContact O-N 3.48Å; T565-V686 HydrophobicContact CG2-CG2 4.3Å; T565-A714 HydrophobicContact CG2-CB 3.93Å
566R97.5Very high93.4Very high41 Ų4165 Ų6516%0.15532%0.32CS..Hα-helixtrans-59.8-48.4175.8-175.6174.3-65.1-74.8-3.2111.8L555 L558 T560 C562 E563 E564 N568 F569 E570L555-R566 PolarHBondContact O-NH1 3.03Å; L558-R566 PolarHBondContact O-NH2 3.37Å; T560-R566 HydrophobicContact CG2-CB 4.29Å; C562-R566 PolarHBondContact O-N 3.35Å; E563-R566 PolarHBondContact O-N 2.66Å; E564-R566 VanDerWaalsContact C-N 3.33Å; E564-R566 PolarHBondContact O-N 3.29Å; R566-N568 VanDerWaalsContact C-N 3.29Å; R566-N568 PolarHBondContact O-N 2.8Å; R566-F569 WeakPolarHBondContact O-CB 3.44Å; R566-F569 PolarHBondContact O-N 2.93Å; R566-F569 VanDerWaalsContact O-N 3.13Å; R566-E570 WeakPolarHBondContact O-CG 3.4Å; R566-E570 PolarHBondContact O-N 3.45Å
567R96.1Very high92.9Very high168 Ų16861.1 Ų61.163%0.63430%0.304SS*.Hα-helixtrans-60.7-37.7177.3-71.5176.2-174.5-171.91.2112.6E563 E564 E570 A571E563-R567 WeakPolarHBondContact O-CG 3.46Å; E563-R567 PolarHBondContact O-N 3.32Å; E564-R567 PolarHBondContact O-N 3.4Å; R567-E570 PolarHBondContact O-N 2.83Å; R567-A571 VanDerWaalsContact O-CB 3.28Å; R567-A571 WeakPolarHBondContact O-CB 3.24Å; R567-A571 PolarHBondContact O-N 3.11Å
568N91.7Very high92.4Very high66 Ų6661 Ų6135%0.35330%0.295SS..Hα-helixtrans-63.6-43.1174.8-79.2-45.4000111.6E564 T565 R566 T572 V686E564-N568 PolarHBondContact O-N 3.27Å; E564-N568 PolarHBondContact O-ND2 3.2Å; T565-N568 PolarHBondContact O-N 2.96Å; R566-N568 VanDerWaalsContact C-N 3.29Å; R566-N568 PolarHBondContact O-N 2.8Å; N568-T572 WeakPolarHBondContact O-CB 3.35Å; N568-T572 PolarHBondContact O-N 2.72Å; N568-T572 PolarHBondContact O-OG1 2.69Å; N568-T572 VanDerWaalsContact O-OG1 3.05Å; N568-V686 HydrophobicContact CB-CG1 3.8Å
569F96.5Very high91.8Very high0 Ų062.4 Ų62.40%030%0.301CS..Hα-helixtrans-59.7-50.1171.8-82.3-68.8000111.8L555 L558 T560 T565 R566 A571 T572 L573 V686 L690 L694 V712L555-F569 HydrophobicContact CD1-CB 3.68Å; L555-F569 HydrophobicContact CD1-CD2 4.03Å; L555-F569 HydrophobicContact CD1-CG 3.88Å; L555-F569 HydrophobicContact CD2-CB 3.66Å; L555-F569 HydrophobicContact CG-CB 4.35Å; L558-F569 HydrophobicContact CD2-CE2 4.49Å; T560-F569 HydrophobicContact CG2-CD2 4.34Å; T560-F569 HydrophobicContact CG2-CE2 4.48Å; T565-F569 HydrophobicContact CG2-CD2 4.01Å; T565-F569 HydrophobicContact CG2-CE2 3.77Å; T565-F569 VanDerWaalsContact O-CD2 3.29Å; T565-F569 WeakPolarHBondContact O-CD2 3.31Å; T565-F569 PolarHBondContact O-N 3.48Å; R566-F569 WeakPolarHBondContact O-CB 3.44Å; R566-F569 PolarHBondContact O-N 2.93Å; R566-F569 VanDerWaalsContact O-N 3.13Å; F569-A571 VanDerWaalsContact C-N 3.34Å; F569-A571 PolarHBondContact O-N 3.19Å; F569-T572 PolarHBondContact O-N 3.5Å; F569-L573 WeakPolarHBondContact O-CB 3.25Å; F569-L573 VanDerWaalsContact O-CG 3.29Å; F569-L573 WeakPolarHBondContact O-CG 3.49Å; F569-L573 PolarHBondContact O-N 3.04Å; F569-V686 HydrophobicContact CD1-CG1 4.02Å; F569-V686 HydrophobicContact CD2-CG1 3.95Å; F569-V686 HydrophobicContact CE1-CG1 4.07Å; F569-V686 HydrophobicContact CE2-CG1 4Å; F569-V686 HydrophobicContact CG-CG1 3.96Å; F569-V686 HydrophobicContact CZ-CG1 4.06Å; F569-L690 HydrophobicContact CE1-CB 3.69Å; F569-L690 HydrophobicContact CZ-CB 3.69Å; F569-L690 HydrophobicContact CZ-CD1 4.27Å; F569-L694 HydrophobicContact CD1-CD1 4.1Å; F569-L694 HydrophobicContact CE1-CD1 4.03Å; F569-V712 HydrophobicContact CE2-CG1 4.24Å; F569-V712 HydrophobicContact CZ-CG1 4.08Å
570E96.7Very high91.1Very high91 Ų9158.4 Ų58.443%0.42529%0.286SS..Hα-helixtrans-58.3-45.6-179.8-69.5170.4171.900111.9L555 R566 R567 T572 L573 A574L555-E570 HydrophobicContact CD2-CG 3.79Å; R566-E570 WeakPolarHBondContact O-CG 3.4Å; R566-E570 PolarHBondContact O-N 3.45Å; R567-E570 PolarHBondContact O-N 2.83Å; E570-T572 PolarHBondContact O-N 3.16Å; E570-L573 PolarHBondContact O-N 3.24Å; E570-A574 WeakPolarHBondContact O-CB 3.36Å; E570-A574 PolarHBondContact O-N 3.15Å
571A91.4Very high90.6Very high50 Ų5058.3 Ų58.341%0.41329%0.285SS..Hα-helixtrans-61.7-44.4176.900000111.7R567 F569 W575R567-A571 VanDerWaalsContact O-CB 3.28Å; R567-A571 WeakPolarHBondContact O-CB 3.24Å; R567-A571 PolarHBondContact O-N 3.11Å; F569-A571 VanDerWaalsContact C-N 3.34Å; F569-A571 PolarHBondContact O-N 3.19Å; A571-W575 WeakPolarHBondContact O-CB 3.48Å; A571-W575 PolarHBondContact O-N 3.33Å
572T87.1Confident90.1Very high13 Ų1355.4 Ų55.48%0.0827%0.272CS..Hα-helixtrans-65.8-48.4176.2-62.40000111.6N568 F569 E570 A574 W575 L576 P687 S691N568-T572 WeakPolarHBondContact O-CB 3.35Å; N568-T572 PolarHBondContact O-N 2.72Å; N568-T572 PolarHBondContact O-OG1 2.69Å; N568-T572 VanDerWaalsContact O-OG1 3.05Å; F569-T572 PolarHBondContact O-N 3.5Å; E570-T572 PolarHBondContact O-N 3.16Å; T572-A574 VanDerWaalsContact C-N 3.26Å; T572-A574 PolarHBondContact O-N 3.32Å; T572-W575 PolarHBondContact O-N 2.89Å; T572-L576 WeakPolarHBondContact O-CB 3.14Å; T572-L576 PolarHBondContact O-N 3.37Å; T572-P687 HydrophobicContact CG2-CB 4.36Å; T572-P687 WeakPolarHBondContact CG2-O 3.37Å; T572-P687 WeakPolarHBondContact OG1-CA 3.25Å; T572-S691 WeakPolarHBondContact CG2-OG 3.29Å
573L92.1Very high89.5Confident0 Ų054.2 Ų54.20%026%0.262CS..Hα-helixtrans-60.2-36.4179.8-68.4-174000112K548 A551 L555 F569 E570 Y695K548-L573 WeakPolarHBondContact CD-O 3.05Å; K548-L573 WeakPolarHBondContact CE-O 3.21Å; K548-L573 PolarHBondContact NZ-O 2.64Å; A551-L573 HydrophobicContact CB-CD2 4.44Å; L555-L573 HydrophobicContact CB-CD1 4.27Å; L555-L573 HydrophobicContact CD2-CD1 3.7Å; F569-L573 WeakPolarHBondContact O-CB 3.25Å; F569-L573 VanDerWaalsContact O-CG 3.29Å; F569-L573 WeakPolarHBondContact O-CG 3.49Å; F569-L573 PolarHBondContact O-N 3.04Å; E570-L573 PolarHBondContact O-N 3.24Å; L573-Y695 HydrophobicContact CD2-CD2 3.9Å; L573-Y695 HydrophobicContact CD2-CE2 3.22Å
574A88.8Confident88.8Confident66 Ų6651.4 Ų51.455%0.54525%0.253SS..Hα-helixtrans-66.5-47.717500000111.7K548 E570 T572K548-A574 PolarHBondContact NZ-O 2.83Å; E570-A574 WeakPolarHBondContact O-CB 3.36Å; E570-A574 PolarHBondContact O-N 3.15Å; T572-A574 VanDerWaalsContact C-N 3.26Å; T572-A574 PolarHBondContact O-N 3.32Å
575W83.3Confident88.1Confident183 Ų18349.8 Ų49.869%0.69324%0.243SC*.Hα-helixtrans-73.1-33.9-177.4177.779.3000113.7A571 T572 Q577A571-W575 WeakPolarHBondContact O-CB 3.48Å; A571-W575 PolarHBondContact O-N 3.33Å; T572-W575 PolarHBondContact O-N 2.89Å; W575-Q577 PolarHBondContact O-N 3.46Å
576L82.4Confident87.5Confident6 Ų650.6 Ų50.63%0.03125%0.251CS..  trans-62.7125.8-171.9-165.368.7000110.5Y542 K548 T572 Y692 Y695Y542-L576 HydrophobicContact CD2-CD2 3.56Å; Y542-L576 HydrophobicContact CD2-CG 4.04Å; Y542-L576 HydrophobicContact CE2-CD2 4.31Å; Y542-L576 HydrophobicContact CG-CD2 3.79Å; Y542-L576 HydrophobicContact CG-CG 4.37Å; K548-L576 WeakPolarHBondContact CE-O 3.37Å; K548-L576 PolarHBondContact NZ-O 3.41Å; T572-L576 WeakPolarHBondContact O-CB 3.14Å; T572-L576 PolarHBondContact O-N 3.37Å; L576-Y692 HydrophobicContact CD1-CE1 3.85Å; L576-Y692 HydrophobicContact CD2-CD1 4.01Å; L576-Y692 HydrophobicContact CD2-CE1 3.73Å; L576-Y692 HydrophobicContact CG-CE1 4.44Å; L576-Y695 HydrophobicContact CD2-CD2 4.09Å; L576-Y695 HydrophobicContact CD2-CE2 3.63Å
577Q84.6Confident87.1Confident95 Ų9549.9 Ų49.944%0.44425%0.25SS..  trans-112.8-121.9174.5-60.6-59.6-3300107.5Y542 G543 W575Y542-Q577 CarbonylContact C-O 3.55Å; Y542-Q577 VanDerWaalsContact C-O 3.31Å; Y542-Q577 WeakPolarHBondContact CA-O 3.37Å; Y542-Q577 WeakPolarHBondContact CB-O 3.4Å; Y542-Q577 PolarHBondContact N-O 3.47Å; G543-Q577 PolarHBondContact N-O 2.86Å; G543-Q577 VanDerWaalsContact N-O 3.08Å; W575-Q577 PolarHBondContact O-N 3.46Å
578E84.6Confident86.9Confident76 Ų7641.9 Ų41.936%0.35522%0.22SC..EExtended strand (participates in β ladder)trans-96.8140.1-177.5-42.294.9136.800111.4R237 Y539 L540R237-E578 IonicContact CZ-OE1 3.83Å; R237-E578 IonicContact CZ-OE2 3.95Å; R237-E578 IonicContact NH1-OE1 3.05Å; R237-E578 PolarHBondContact NH1-OE1 3.23Å; R237-E578 IonicContact NH1-OE2 3.69Å; R237-E578 PolarHBondContact NH1-OE2 2.97Å; R237-E578 IonicContact NH2-OE1 2.82Å; R237-E578 PolarHBondContact NH2-OE1 2.81Å; R237-E578 IonicContact NH2-OE2 2.72Å; Y539-E578 HydrophobicContact CD2-CB 3.53Å; Y539-E578 HydrophobicContact CD2-CG 4.04Å; Y539-E578 HydrophobicContact CE2-CB 3.87Å; Y539-E578 HydrophobicContact CE2-CG 3.84Å; Y539-E578 HydrophobicContact CG-CB 4.31Å; L540-E578 VanDerWaalsContact O-CA 3.32Å; L540-E578 WeakPolarHBondContact O-CA 3.19Å
579H83.6Confident87.1Confident29 Ų2938.8 Ų38.813%0.13420%0.204CC..EExtended strand (participates in β ladder)trans-115.9124.6-177.2175.972000110.6Y539 L540 Y542 C581 E600 Y692Y539-H579 CarbonylContact C-O 3.59Å; Y539-H579 VanDerWaalsContact CA-O 3.24Å; Y539-H579 WeakPolarHBondContact CA-O 3.17Å; Y539-H579 VanDerWaalsContact CB-O 3.3Å; Y539-H579 WeakPolarHBondContact CB-O 3.42Å; L540-H579 PolarHBondContact N-O 3.49Å; L540-H579 PolarHBondContact O-N 3.22Å; Y542-H579 HydrophobicContact CD2-CB 3.78Å; Y542-H579 HydrophobicContact CE2-CB 3.66Å; H579-C581 PolarHBondContact O-N 2.76Å; H579-E600 IonicContact CD2-OE1 2.72Å; H579-E600 IonicContact CE1-OE1 3.6Å; H579-E600 IonicContact NE2-OE1 3.58Å; H579-E600 PolarHBondContact NE2-OE1 3.42Å; H579-Y692 AromaticContact CE1-CE2 3.96Å; H579-Y692 AromaticContact ND1-CZ 3.9Å; H579-Y692 PolarHBondContact ND1-OH 3.39Å; H579-Y692 AromaticContact NE2-CE2 3.93Å
580A83.7Confident87.1Confident17 Ų1743.3 Ų43.314%0.1422%0.221CC..EExtended strand (participates in β ladder)trans-77.7112.5-176.100000112.2Q537 R583Q537-A580 HydrophobicContact CG-CB 4.25Å; A580-R583 PolarHBondContact O-NH1 3.49Å; A580-R583 PolarHBondContact O-NH2 3.3Å; A580-R583 VanDerWaalsContact O-NH2 3.07Å
581C86.8Confident87Confident0 Ų039 Ų390%020%0.201CC..  trans-101.8-9.1-17066.30000114.6W538 L540 H579 E600 S603W538-C581 PolarHBondContact O-N 3.19Å; W538-C581 PolarHBondContact O-SG 3.17Å; L540-C581 HydrophobicContact CD1-CB 4.07Å; L540-C581 HydrophobicContact CG-CB 4.11Å; H579-C581 PolarHBondContact O-N 2.76Å; C581-E600 PolarHBondContact O-N 3.23Å; C581-S603 WeakPolarHBondContact CB-OG 3.5Å
582S85.3Confident87.2Confident0 Ų038.2 Ų38.20%019%0.191CC..EExtended strand (participates in β ladder)trans-101.9143179.2640000114.6Q537 W538 W597 L598Q537-S582 VanDerWaalsContact CG-OG 3.23Å; Q537-S582 WeakPolarHBondContact CG-OG 3.49Å; Q537-S582 PolarHBondContact NE2-O 3.06Å; W538-S582 PolarHBondContact N-OG 3.44Å; W538-S582 PolarHBondContact O-N 3.18Å; W538-S582 PolarHBondContact O-OG 2.96Å; S582-W597 VanDerWaalsContact CB-CE3 3.5Å; S582-L598 CarbonylContact C-O 3.49Å; S582-L598 WeakPolarHBondContact CA-O 3.46Å
583R81.2Confident87.6Confident18 Ų1840.9 Ų40.97%0.06820%0.2CC..EExtended strand (participates in β ladder)trans-135.9157.7177-58.5-66.5178.2-89.2-5.9110.6Q537 A580 W597 L598 E600Q537-R583 VanDerWaalsContact NE2-NH1 3.18Å; A580-R583 PolarHBondContact O-NH1 3.49Å; A580-R583 PolarHBondContact O-NH2 3.3Å; A580-R583 VanDerWaalsContact O-NH2 3.07Å; R583-W597 CarbonylContact O-C 3.49Å; R583-W597 WeakPolarHBondContact O-CA 3.49Å; R583-L598 PolarHBondContact N-O 2.91Å; R583-L598 PolarHBondContact O-N 3.26Å; R583-E600 HydrophobicContact CG-CB 3.74Å
584T81.1Confident87.6Confident60 Ų6042.5 Ų42.537%0.36821%0.208SC..SBendtrans-106.3-11.6177.842.30000113.3Q247 W597Q247-T584 WeakPolarHBondContact CB-OG1 3.25Å; Q247-T584 PolarHBondContact OE1-OG1 2.79Å; T584-W597 HydrophobicContact CG2-CD2 4.44Å; T584-W597 HydrophobicContact CG2-CE3 3.74Å; T584-W597 HydrophobicContact CG2-CH2 4.17Å; T584-W597 HydrophobicContact CG2-CZ3 3.6Å
585Y79.8Confident87.8Confident66 Ų6644.5 Ų44.526%0.25921%0.207SC..SBendtrans-136.9152.8-177.7172.9-99.2000110.7M96 K99 D103 Q247M96-Y585 HydrophobicContact CG-CD1 4.38Å; M96-Y585 WeakPolarHBondContact CG-O 3.47Å; K99-Y585 HydrophobicContact CG-CE1 4.27Å; K99-Y585 HydrophobicContact CG-CE2 3.84Å; D103-Y585 PolarHBondContact OD2-OH 3.05Å; Q247-Y585 VanDerWaalsContact CD-CB 3.47Å
586G83.5Confident88.1Confident17 Ų1741.7 Ų41.718%0.17520%0.201CC..SBendtrans114.8-167.1-176.800000111.7
587L88.4Confident88.5Confident27 Ų2742.5 Ų42.514%0.14120%0.204CC..BIsolated β-bridgetrans-107.7152.9173.4-54.3175.9000109.7G95 I98 K99 A178 L182 T209G95-L587 PolarHBondContact N-O 3.13Å; G95-L587 PolarHBondContact O-N 2.97Å; I98-L587 HydrophobicContact CB-CD1 4.07Å; I98-L587 HydrophobicContact CD1-CD1 4.48Å; I98-L587 HydrophobicContact CG2-CD1 3.95Å; K99-L587 HydrophobicContact CB-CG 4.4Å; A178-L587 HydrophobicContact CB-CD1 4.17Å; A178-L587 HydrophobicContact CB-CD2 4.12Å; L182-L587 HydrophobicContact CD1-CD1 3.77Å; T209-L587 HydrophobicContact CG2-CB 3.72Å
588G92.4Very high88.7Confident0 Ų038.6 Ų38.60%019%0.186CC..SBendtrans154.8-170.2176.500000113.2D210D210-G588 PolarHBondContact N-O 3.02Å
589T96Very high89.1Confident0 Ų035 Ų350%017%0.169CC..PPolyproline II helixtrans-85.8139.8171.1-70.30000110.7D216 I219 R220 L598 I599D216-T589 WeakPolarHBondContact OD1-CA 3.26Å; D216-T589 WeakPolarHBondContact OD1-CB 3.44Å; D216-T589 WeakPolarHBondContact OD1-CG2 3.42Å; D216-T589 PolarHBondContact OD1-OG1 3.2Å; I219-T589 HydrophobicContact CB-CG2 4.04Å; I219-T589 HydrophobicContact CG2-CG2 3.74Å; R220-T589 HydrophobicContact CG-CG2 4.02Å; T589-L598 WeakPolarHBondContact O-CA 3.37Å; T589-I599 HydrophobicContact CG2-CD1 4.01Å; T589-I599 PolarHBondContact O-N 2.87Å
590R95.9Very high89.2Confident96 Ų9634.5 Ų34.536%0.36217%0.167SC..BIsolated β-bridgetrans-79.3146174.8-64.5178.6-176.7-87.5-2.7111.3E595 W597R590-E595 PolarHBondContact NH1-O 2.86Å; R590-W597 CarbonylContact C-O 3.55Å; R590-W597 WeakPolarHBondContact CA-O 3.42Å
591L95Very high89.2Confident0 Ų034.1 Ų34.10%016%0.163CC..PPolyproline II helixtrans-63.7126172.2-77-178.7000109.8F223 W538 W593 D594 E595 W597 I599F223-L591 HydrophobicContact CD1-CD2 3.51Å; F223-L591 HydrophobicContact CE1-CD2 4.06Å; F223-L591 HydrophobicContact CG-CD2 4.33Å; W538-L591 HydrophobicContact CB-CD1 4.03Å; W538-L591 HydrophobicContact CD2-CD1 4.45Å; W538-L591 HydrophobicContact CG-CD1 3.77Å; L591-W593 HydrophobicContact CD2-CH2 4.21Å; L591-W593 HydrophobicContact CD2-CZ2 3.95Å; L591-W593 PolarHBondContact O-N 3.47Å; L591-W593 VanDerWaalsContact O-N 3.15Å; L591-D594 CarbonylContact O-C 3.58Å; L591-D594 PolarHBondContact O-N 3.3Å; L591-D594 VanDerWaalsContact O-N 3.16Å; L591-E595 PolarHBondContact O-N 3.07Å; L591-W597 HydrophobicContact CB-CB 4.38Å; L591-W597 HydrophobicContact CD1-CB 3.72Å; L591-W597 HydrophobicContact CD1-CG 4.33Å; L591-W597 HydrophobicContact CG-CB 4.15Å; L591-W597 PolarHBondContact N-O 2.94Å; L591-I599 HydrophobicContact CD2-CD1 3.95Å; L591-I599 HydrophobicContact CD2-CG1 3.55Å; L591-I599 HydrophobicContact CG-CG1 4.03Å
592P94.8Very high89.2Confident34 Ų3436.2 Ų36.222%0.22117%0.174CC..THydrogen-bonded Turntrans-72.4-12.6-168.523.4-30.5000114.9R220 L224R220-P592 HydrophobicContact CB-CB 4.28Å; R220-P592 HydrophobicContact CB-CG 4.21Å; R220-P592 HydrophobicContact CG-CB 4.09Å; R220-P592 HydrophobicContact CG-CG 4.28Å; L224-P592 HydrophobicContact CD1-CG 4.25Å; L224-P592 HydrophobicContact CD2-CB 4.45Å; L224-P592 HydrophobicContact CD2-CG 3.95Å; L224-P592 HydrophobicContact CG-CB 4.43Å; L224-P592 HydrophobicContact CG-CG 3.74Å
593W95.4Very high89.5Confident68 Ų6836.2 Ų36.226%0.25817%0.174SC..THydrogen-bonded Turntrans-109.6-3.8175.257.880.9000113.3F223 L224 K227 I232 W538 L591F223-W593 HydrophobicContact CB-CH2 3.91Å; F223-W593 HydrophobicContact CB-CZ3 4.16Å; F223-W593 HydrophobicContact CD1-CH2 4.44Å; F223-W593 WeakPolarHBondContact O-CH2 3.46Å; F223-W593 WeakPolarHBondContact O-CZ3 3.3Å; L224-W593 HydrophobicContact CD2-CE3 3.72Å; L224-W593 HydrophobicContact CD2-CZ3 3.92Å; L224-W593 HydrophobicContact CG-CE3 4.46Å; L224-W593 HydrophobicContact CG-CZ3 4.24Å; K227-W593 HydrophobicContact CB-CH2 3.73Å; K227-W593 HydrophobicContact CB-CZ2 4.22Å; K227-W593 HydrophobicContact CB-CZ3 3.95Å; K227-W593 HydrophobicContact CD-CD2 3.41Å; K227-W593 VanDerWaalsContact CD-CD2 3.41Å; K227-W593 HydrophobicContact CD-CE3 3.57Å; K227-W593 HydrophobicContact CD-CG 4.07Å; K227-W593 HydrophobicContact CD-CH2 3.72Å; K227-W593 HydrophobicContact CD-CZ2 3.57Å; K227-W593 HydrophobicContact CD-CZ3 3.72Å; K227-W593 HydrophobicContact CG-CH2 4.35Å; K227-W593 HydrophobicContact CG-CZ2 4.43Å; I232-W593 HydrophobicContact CD1-CH2 3.79Å; I232-W593 HydrophobicContact CD1-CZ2 4.17Å; I232-W593 HydrophobicContact CG2-CZ2 4.17Å; W538-W593 AromaticContact CD2-NE1 3.89Å; W538-W593 AromaticContact CE2-NE1 3.51Å; W538-W593 AromaticContact CE3-NE1 3.97Å; W538-W593 AromaticContact CH2-CD1 3.82Å; W538-W593 AromaticContact CH2-NE1 3.33Å; W538-W593 VanDerWaalsContact CH2-NE1 3.33Å; W538-W593 AromaticContact CZ2-CD1 3.57Å; W538-W593 AromaticContact CZ2-NE1 3.23Å; W538-W593 AromaticContact CZ3-NE1 3.71Å; L591-W593 HydrophobicContact CD2-CH2 4.21Å; L591-W593 HydrophobicContact CD2-CZ2 3.95Å; L591-W593 PolarHBondContact O-N 3.47Å; L591-W593 VanDerWaalsContact O-N 3.15Å
594D93.3Very high90.1Very high34 Ų3435.4 Ų35.418%0.18217%0.171CC..  trans-156.174.2-176.3-165.20.2000109.9W538 L591 Q596 W597W538-D594 PolarHBondContact NE1-OD2 2.82Å; L591-D594 CarbonylContact O-C 3.58Å; L591-D594 PolarHBondContact O-N 3.3Å; L591-D594 VanDerWaalsContact O-N 3.16Å; D594-Q596 PolarHBondContact O-N 2.63Å; D594-Q596 VanDerWaalsContact OD1-CG 3.26Å; D594-Q596 WeakPolarHBondContact OD1-CG 3.33Å; D594-Q596 PolarHBondContact OD1-NE2 3.49Å; D594-Q596 PolarHBondContact OD2-NE2 2.78Å; D594-W597 PolarHBondContact O-N 2.8Å; D594-W597 PolarHBondContact OD2-NE1 3.35Å; D594-W597 VanDerWaalsContact OD2-NE1 3.11Å
595E92.6Very high90.8Very high108 Ų10832.6 Ų32.651%0.50515%0.154SC..THydrogen-bonded Turntrans-68.3-7.6-164.9-60.3-160.214700115.4R220 R590 L591 W597R220-E595 IonicContact NH1-OE1 2.92Å; R220-E595 PolarHBondContact NH1-OE1 3.46Å; R590-E595 PolarHBondContact NH1-O 2.86Å; L591-E595 PolarHBondContact O-N 3.07Å; E595-W597 PolarHBondContact O-N 3.31Å
596Q89.4Confident91.6Very high124 Ų12429.5 Ų29.558%0.57914%0.142SC*.THydrogen-bonded Turntrans-65.9-22.5170.173.7-170.5-25.800111.9D594D594-Q596 PolarHBondContact O-N 2.63Å; D594-Q596 VanDerWaalsContact OD1-CG 3.26Å; D594-Q596 WeakPolarHBondContact OD1-CG 3.33Å; D594-Q596 PolarHBondContact OD1-NE2 3.49Å; D594-Q596 PolarHBondContact OD2-NE2 2.78Å
597W90.3Very high92.3Very high24 Ų2428.7 Ų28.79%0.09113%0.134CC..PPolyproline II helixtrans-101.1132.3-179.6-62.8102.7000111.9D536 W538 S582 R583 T584 R590 L591 D594 E595D536-W597 WeakPolarHBondContact O-CH2 3.24Å; W538-W597 AromaticContact CD1-CD1 3.59Å; W538-W597 AromaticContact CD1-NE1 3.74Å; W538-W597 AromaticContact NE1-CD1 3.73Å; W538-W597 AromaticContact NE1-NE1 3.84Å; S582-W597 VanDerWaalsContact CB-CE3 3.5Å; R583-W597 CarbonylContact O-C 3.49Å; R583-W597 WeakPolarHBondContact O-CA 3.49Å; T584-W597 HydrophobicContact CG2-CD2 4.44Å; T584-W597 HydrophobicContact CG2-CE3 3.74Å; T584-W597 HydrophobicContact CG2-CH2 4.17Å; T584-W597 HydrophobicContact CG2-CZ3 3.6Å; R590-W597 CarbonylContact C-O 3.55Å; R590-W597 WeakPolarHBondContact CA-O 3.42Å; L591-W597 HydrophobicContact CB-CB 4.38Å; L591-W597 HydrophobicContact CD1-CB 3.72Å; L591-W597 HydrophobicContact CD1-CG 4.33Å; L591-W597 HydrophobicContact CG-CB 4.15Å; L591-W597 PolarHBondContact N-O 2.94Å; D594-W597 PolarHBondContact O-N 2.8Å; D594-W597 PolarHBondContact OD2-NE1 3.35Å; D594-W597 VanDerWaalsContact OD2-NE1 3.11Å; E595-W597 PolarHBondContact O-N 3.31Å
598L90.8Very high92.8Very high12 Ų1227.4 Ų27.46%0.06313%0.127CC..EExtended strand (participates in β ladder)trans-89.4146.8163.5-62.497.7000110.5S582 R583 T589S582-L598 CarbonylContact C-O 3.49Å; S582-L598 WeakPolarHBondContact CA-O 3.46Å; R583-L598 PolarHBondContact N-O 2.91Å; R583-L598 PolarHBondContact O-N 3.26Å; T589-L598 WeakPolarHBondContact O-CA 3.37Å
599I92.3Very high93.1Very high2 Ų227.4 Ų27.41%0.0113%0.127CC..EExtended strand (participates in β ladder)trans-78.7132.9170.7-61.3164.6000108.7I219 F223 T589 L591 D604I219-I599 HydrophobicContact CG2-CD1 3.47Å; I219-I599 VanDerWaalsContact CG2-CD1 3.47Å; F223-I599 HydrophobicContact CB-CD1 4.4Å; F223-I599 HydrophobicContact CD1-CD1 3.81Å; F223-I599 HydrophobicContact CD1-CG1 4.07Å; F223-I599 HydrophobicContact CD2-CD1 3.65Å; F223-I599 HydrophobicContact CE1-CB 4.49Å; F223-I599 HydrophobicContact CE1-CD1 3.95Å; F223-I599 HydrophobicContact CE1-CG1 3.85Å; F223-I599 HydrophobicContact CE1-CG2 3.84Å; F223-I599 HydrophobicContact CE2-CD1 3.8Å; F223-I599 HydrophobicContact CE2-CG1 4.37Å; F223-I599 HydrophobicContact CE2-CG2 3.72Å; F223-I599 HydrophobicContact CG-CD1 3.66Å; F223-I599 HydrophobicContact CG-CG1 4.43Å; F223-I599 HydrophobicContact CZ-CB 4.26Å; F223-I599 HydrophobicContact CZ-CD1 3.94Å; F223-I599 HydrophobicContact CZ-CG1 4.02Å; F223-I599 HydrophobicContact CZ-CG2 3.24Å; T589-I599 HydrophobicContact CG2-CD1 4.01Å; T589-I599 PolarHBondContact O-N 2.87Å; L591-I599 HydrophobicContact CD2-CD1 3.95Å; L591-I599 HydrophobicContact CD2-CG1 3.55Å; L591-I599 HydrophobicContact CG-CG1 4.03Å; I599-D604 HydrophobicContact CG2-CB 3.85Å
600E85.3Confident93.2Very high17 Ų1727.4 Ų27.48%0.07913%0.127CC..PPolyproline II helixtrans-79.2157.8178.473.388.7-154.900113.3H579 C581 R583 L602 S603 D604H579-E600 IonicContact CD2-OE1 2.72Å; H579-E600 IonicContact CE1-OE1 3.6Å; H579-E600 IonicContact NE2-OE1 3.58Å; H579-E600 PolarHBondContact NE2-OE1 3.42Å; C581-E600 PolarHBondContact O-N 3.23Å; R583-E600 HydrophobicContact CG-CB 3.74Å; E600-L602 VanDerWaalsContact C-N 3.34Å; E600-L602 VanDerWaalsContact CD-N 3.26Å; E600-L602 PolarHBondContact O-N 3.3Å; E600-L602 VanDerWaalsContact OE1-C 3.27Å; E600-L602 WeakPolarHBondContact OE1-CA 3.43Å; E600-L602 VanDerWaalsContact OE1-CB 3.23Å; E600-L602 WeakPolarHBondContact OE1-CB 3.42Å; E600-L602 PolarHBondContact OE1-N 2.9Å; E600-L602 PolarHBondContact OE2-N 3.31Å; E600-S603 PolarHBondContact O-N 2.9Å; E600-S603 WeakPolarHBondContact OE1-CB 3.46Å; E600-S603 PolarHBondContact OE1-N 3.46Å; E600-S603 PolarHBondContact OE1-OG 2.96Å; E600-D604 PolarHBondContact O-N 2.99Å
601S84.5Confident93.4Very high10 Ų1022.8 Ų22.87%0.0711%0.11CC..THydrogen-bonded Turntrans-66.6-24.8-167.257.30000115.2Y55 H92 T94 S603 D604 S605Y55-S601 VanDerWaalsContact OH-CB 3.25Å; Y55-S601 WeakPolarHBondContact OH-CB 3.18Å; Y55-S601 PolarHBondContact OH-OG 3.49Å; H92-S601 PolarHBondContact CE1-O 3.41Å; T94-S601 WeakPolarHBondContact O-CB 3.45Å; S601-S603 VanDerWaalsContact C-N 3.28Å; S601-D604 VanDerWaalsContact CA-OD1 3.29Å; S601-D604 WeakPolarHBondContact CA-OD1 3.31Å; S601-S605 WeakPolarHBondContact O-CB 3.46Å; S601-S605 PolarHBondContact O-OG 3.11Å
602L85.5Confident93.5Very high44 Ų4422.8 Ų22.823%0.2311%0.11CC..THydrogen-bonded Turntrans-82.2-6.2173.9-62.1171.3000113E600 S605 T606 N688 H689 Y692E600-L602 VanDerWaalsContact C-N 3.34Å; E600-L602 VanDerWaalsContact CD-N 3.26Å; E600-L602 PolarHBondContact O-N 3.3Å; E600-L602 VanDerWaalsContact OE1-C 3.27Å; E600-L602 WeakPolarHBondContact OE1-CA 3.43Å; E600-L602 VanDerWaalsContact OE1-CB 3.23Å; E600-L602 WeakPolarHBondContact OE1-CB 3.42Å; E600-L602 PolarHBondContact OE1-N 2.9Å; E600-L602 PolarHBondContact OE2-N 3.31Å; L602-S605 WeakPolarHBondContact CA-OG 3.21Å; L602-S605 PolarHBondContact O-OG 3.4Å; L602-T606 WeakPolarHBondContact O-CG2 3.48Å; L602-N688 HydrophobicContact CD1-CB 4.44Å; L602-H689 HydrophobicContact CD2-CB 4.18Å; L602-Y692 HydrophobicContact CB-CD2 4.12Å; L602-Y692 HydrophobicContact CB-CE2 3.97Å; L602-Y692 HydrophobicContact CD1-CE2 4.43Å; L602-Y692 WeakPolarHBondContact O-CD2 3.43Å
603S91.9Very high93.7Very high0 Ų021.2 Ų21.20%010%0.099CC..THydrogen-bonded Turntrans-106.2-37.1-176-61.20000112.8C581 E600 S601 S605 T606C581-S603 WeakPolarHBondContact CB-OG 3.5Å; E600-S603 PolarHBondContact O-N 2.9Å; E600-S603 WeakPolarHBondContact OE1-CB 3.46Å; E600-S603 PolarHBondContact OE1-N 3.46Å; E600-S603 PolarHBondContact OE1-OG 2.96Å; S601-S603 VanDerWaalsContact C-N 3.28Å; S603-S605 PolarHBondContact O-N 3.31Å; S603-T606 PolarHBondContact O-OG1 2.79Å
604D94.6Very high93.8Very high0 Ų018 Ų180%09%0.087CC..THydrogen-bonded Turntrans-76.5-8.2171.976.9-32.6000113.2H92 T94 Y215 I219 I599 E600 S601H92-D604 IonicContact NE2-OD1 2.73Å; T94-D604 VanDerWaalsContact CB-OD2 3.25Å; T94-D604 WeakPolarHBondContact CB-OD2 3.46Å; T94-D604 WeakPolarHBondContact CG2-OD2 3.47Å; T94-D604 PolarHBondContact OG1-OD2 3.41Å; Y215-D604 PolarHBondContact OH-O 3.36Å; Y215-D604 VanDerWaalsContact OH-O 3.06Å; I219-D604 HydrophobicContact CD1-CB 3.95Å; I219-D604 VanDerWaalsContact CD1-O 3.25Å; I219-D604 WeakPolarHBondContact CD1-O 3.4Å; I219-D604 HydrophobicContact CG1-CB 4.24Å; I219-D604 HydrophobicContact CG2-CB 4.06Å; I599-D604 HydrophobicContact CG2-CB 3.85Å; E600-D604 PolarHBondContact O-N 2.99Å; S601-D604 VanDerWaalsContact CA-OD1 3.29Å; S601-D604 WeakPolarHBondContact CA-OD1 3.31Å
605S95.4Very high94.1Very high2 Ų216.3 Ų16.31%0.0148%0.078CC..THydrogen-bonded Turntrans-96.713.4-17457.60000115.4Y53 S601 L602 S603 Y608 H689Y53-S605 WeakPolarHBondContact OH-CA 3.36Å; Y53-S605 WeakPolarHBondContact OH-CB 3.43Å; S601-S605 WeakPolarHBondContact O-CB 3.46Å; S601-S605 PolarHBondContact O-OG 3.11Å; L602-S605 WeakPolarHBondContact CA-OG 3.21Å; L602-S605 PolarHBondContact O-OG 3.4Å; S603-S605 PolarHBondContact O-N 3.31Å; S605-Y608 WeakPolarHBondContact O-CD1 3.49Å; S605-Y608 WeakPolarHBondContact O-CE1 3.44Å; S605-H689 PolarHBondContact O-CE1 3.22Å
606T97.3Very high94.3Very high0 Ų011.5 Ų11.50%06%0.055CC..SBendtrans-96-28.4-165.356.70000114.8H222 L602 S603 Y693 N696 H697H222-T606 PolarHBondContact CE1-OG1 2.87Å; L602-T606 WeakPolarHBondContact O-CG2 3.48Å; S603-T606 PolarHBondContact O-OG1 2.79Å; T606-Y693 WeakPolarHBondContact O-CD2 3.38Å; T606-N696 VanDerWaalsContact OG1-CG 3.28Å; T606-H697 PolarHBondContact O-CE1 2.88Å; T606-H697 VanDerWaalsContact O-CE1 3.25Å
607I98.4Very high94.7Very high0 Ų05.9 Ų5.90%03%0.029CC..SBendtrans-130.88.5-178.165162.2000114.5F218 W221 H222 M609 A610 N696 M700 W701F218-I607 HydrophobicContact CE1-CD1 4.4Å; F218-I607 HydrophobicContact CE1-CG1 4.1Å; F218-I607 HydrophobicContact CZ-CD1 3.85Å; F218-I607 HydrophobicContact CZ-CG1 3.84Å; W221-I607 HydrophobicContact CH2-CD1 4.44Å; W221-I607 HydrophobicContact CZ3-CD1 3.79Å; H222-I607 HydrophobicContact CB-CD1 3.84Å; H222-I607 VanDerWaalsContact CD2-CD1 3.44Å; H222-I607 WeakPolarHBondContact CD2-CD1 3.27Å; H222-I607 VanDerWaalsContact CG-CD1 3.44Å; I607-M609 PolarHBondContact O-N 2.77Å; I607-A610 WeakPolarHBondContact O-CB 3.43Å; I607-A610 PolarHBondContact O-N 2.89Å; I607-N696 HydrophobicContact CG2-CB 3.75Å; I607-M700 HydrophobicContact CD1-CE 3.98Å; I607-M700 HydrophobicContact CD1-CG 4.02Å; I607-M700 HydrophobicContact CG2-CG 4.32Å; I607-W701 HydrophobicContact CG2-CZ3 4.32Å
608Y98.5Very high95Very high0 Ų04.7 Ų4.70%03%0.025CC..THydrogen-bonded Turntrans-57.9-13.7-175.973.7-90.1000114.6F51 P52 Y53 F206 Y215 S605 A610 Y611 Y612 R679F51-Y608 PolarHBondContact O-OH 3.28Å; F51-Y608 VanDerWaalsContact O-OH 3.11Å; P52-Y608 WeakPolarHBondContact CA-OH 3.22Å; Y53-Y608 HydrophobicContact CD1-CD1 4.19Å; Y53-Y608 HydrophobicContact CD1-CD2 4.41Å; Y53-Y608 AromaticContact CD1-CE1 3.45Å; Y53-Y608 HydrophobicContact CD1-CE1 3.45Å; Y53-Y608 VanDerWaalsContact CD1-CE1 3.45Å; Y53-Y608 AromaticContact CD1-CE2 3.69Å; Y53-Y608 HydrophobicContact CD1-CE2 3.69Å; Y53-Y608 AromaticContact CD1-CZ 3.16Å; Y53-Y608 WeakPolarHBondContact CD1-OH 3.48Å; Y53-Y608 AromaticContact CE1-CD1 3.52Å; Y53-Y608 HydrophobicContact CE1-CD1 3.52Å; Y53-Y608 HydrophobicContact CE1-CD2 4.36Å; Y53-Y608 AromaticContact CE1-CE1 3.09Å; Y53-Y608 HydrophobicContact CE1-CE1 3.09Å; Y53-Y608 AromaticContact CE1-CE2 4Å; Y53-Y608 HydrophobicContact CE1-CE2 4Å; Y53-Y608 HydrophobicContact CE1-CG 4.14Å; Y53-Y608 AromaticContact CE1-CZ 3.38Å; Y53-Y608 HydrophobicContact CG-CE2 4.1Å; Y53-Y608 PolarHBondContact N-OH 2.95Å; F206-Y608 AromaticContact CZ-CD2 4Å; F206-Y608 HydrophobicContact CZ-CD2 4Å; Y215-Y608 WeakPolarHBondContact OH-CB 3.34Å; S605-Y608 WeakPolarHBondContact O-CD1 3.49Å; S605-Y608 WeakPolarHBondContact O-CE1 3.44Å; Y608-A610 PolarHBondContact O-N 2.91Å; Y608-Y611 WeakPolarHBondContact O-CA 3.47Å; Y608-Y611 VanDerWaalsContact O-CB 3.3Å; Y608-Y611 WeakPolarHBondContact O-CB 3.41Å; Y608-Y611 PolarHBondContact O-N 2.98Å; Y608-Y612 HydrophobicContact CD2-CD2 4.28Å; Y608-Y612 AromaticContact CD2-CE2 3.76Å; Y608-Y612 HydrophobicContact CD2-CE2 3.76Å; Y608-Y612 AromaticContact CD2-CZ 3.93Å; Y608-Y612 HydrophobicContact CE2-CD2 4.23Å; Y608-Y612 AromaticContact CE2-CE2 3.33Å; Y608-Y612 HydrophobicContact CE2-CE2 3.33Å; Y608-Y612 AromaticContact CE2-CZ 3.5Å; Y608-Y612 WeakPolarHBondContact CE2-OH 3.28Å; Y608-Y612 PolarHBondContact O-N 2.81Å; Y608-R679 VanDerWaalsContact CE1-NH2 3.31Å; Y608-R679 VanDerWaalsContact OH-CZ 3.31Å; Y608-R679 PolarHBondContact OH-NH1 2.9Å; Y608-R679 PolarHBondContact OH-NH2 3.38Å
609M98.6Very high95.2Very high0 Ų04.2 Ų4.20%02%0.022CC..Hα-helixtrans-63.4-28.3174.1-4276.9-170.100111.6F48 T50 I607 Y611 Y612 Y674 V676 Y693F48-M609 HydrophobicContact CE1-CB 4.37Å; F48-M609 HydrophobicContact CZ-CB 4.16Å; F48-M609 WeakPolarHBondContact CZ-O 3.45Å; T50-M609 HydrophobicContact CG2-CB 4.11Å; T50-M609 HydrophobicContact CG2-CG 3.95Å; I607-M609 PolarHBondContact O-N 2.77Å; M609-Y611 VanDerWaalsContact C-N 3.31Å; M609-Y612 HydrophobicContact CB-CD2 4.23Å; M609-Y612 WeakPolarHBondContact O-CB 3.49Å; M609-Y612 PolarHBondContact O-N 3.12Å; M609-Y674 HydrophobicContact CB-CE2 4.18Å; M609-V676 HydrophobicContact CB-CG2 3.71Å; M609-V676 HydrophobicContact CG-CG2 4.08Å; M609-Y693 HydrophobicContact CE-CD2 3.72Å; M609-Y693 HydrophobicContact CE-CE2 3.85Å; M609-Y693 HydrophobicContact SD-CD2 4.04Å; M609-Y693 HydrophobicContact SD-CE2 3.81Å
610A98.5Very high95.2Very high0 Ų05.6 Ų5.60%04%0.037CC..Hα-helixtrans-65.2-40171.700000110.5F218 I607 Y608 Y612 T613 F647 F670 Y674 W701F218-A610 HydrophobicContact CE2-CB 4.38Å; F218-A610 HydrophobicContact CZ-CB 4.31Å; I607-A610 WeakPolarHBondContact O-CB 3.43Å; I607-A610 PolarHBondContact O-N 2.89Å; Y608-A610 PolarHBondContact O-N 2.91Å; A610-Y612 VanDerWaalsContact C-N 3.33Å; A610-Y612 PolarHBondContact O-N 3.04Å; A610-T613 WeakPolarHBondContact O-CB 3.45Å; A610-T613 PolarHBondContact O-N 3.17Å; A610-T613 VanDerWaalsContact O-N 3.13Å; A610-T613 PolarHBondContact O-OG1 3.47Å; A610-F647 HydrophobicContact CB-CD1 4.24Å; A610-F647 HydrophobicContact CB-CE1 3.87Å; A610-F647 HydrophobicContact CB-CZ 4.18Å; A610-F670 HydrophobicContact CB-CD2 4.21Å; A610-F670 HydrophobicContact CB-CE2 3.9Å; A610-Y674 HydrophobicContact CB-CE2 4.05Å; A610-Y674 PolarHBondContact N-OH 2.76Å; A610-W701 HydrophobicContact CB-CH2 4.05Å; A610-W701 HydrophobicContact CB-CZ2 4.39Å
611Y98.6Very high95.6Very high0 Ų06 Ų60%05%0.046CC..Hα-helixtrans-63.9-34176.7-174.3-99.1000112.9F206 F214 Y215 F218 Y608 M609 T613 V614 A615 L618 Q619 W643F206-Y611 HydrophobicContact CB-CE1 4.23Å; F206-Y611 AromaticContact CD1-CD1 3.66Å; F206-Y611 HydrophobicContact CD1-CD1 3.66Å; F206-Y611 AromaticContact CD1-CE1 3.6Å; F206-Y611 HydrophobicContact CD1-CE1 3.6Å; F206-Y611 HydrophobicContact CD2-CD1 4.31Å; F206-Y611 HydrophobicContact CD2-CE1 4.15Å; F206-Y611 AromaticContact CE1-CD1 3.42Å; F206-Y611 HydrophobicContact CE1-CD1 3.42Å; F206-Y611 VanDerWaalsContact CE1-CD1 3.42Å; F206-Y611 AromaticContact CE1-CE1 3.88Å; F206-Y611 HydrophobicContact CE1-CE1 3.88Å; F206-Y611 HydrophobicContact CE2-CD1 4.13Å; F206-Y611 HydrophobicContact CE2-CE1 4.42Å; F206-Y611 HydrophobicContact CG-CD1 4.11Å; F206-Y611 AromaticContact CG-CE1 3.75Å; F206-Y611 HydrophobicContact CG-CE1 3.75Å; F206-Y611 AromaticContact CZ-CD1 3.67Å; F206-Y611 HydrophobicContact CZ-CD1 3.67Å; F206-Y611 HydrophobicContact CZ-CE1 4.29Å; F214-Y611 HydrophobicContact CB-CE2 4.24Å; F214-Y611 WeakPolarHBondContact CB-OH 3.41Å; Y215-Y611 AromaticContact CD2-CD1 3.78Å; Y215-Y611 HydrophobicContact CD2-CD1 3.78Å; Y215-Y611 AromaticContact CD2-CE1 3.99Å; Y215-Y611 HydrophobicContact CD2-CE1 3.99Å; Y215-Y611 HydrophobicContact CD2-CG 4.14Å; Y215-Y611 HydrophobicContact CE2-CD1 4.37Å; F218-Y611 HydrophobicContact CB-CD2 3.85Å; F218-Y611 HydrophobicContact CB-CE2 4.31Å; F218-Y611 HydrophobicContact CD1-CD2 4.43Å; F218-Y611 HydrophobicContact CD1-CG 4.44Å; F218-Y611 HydrophobicContact CD2-CD2 4.08Å; F218-Y611 AromaticContact CG-CD2 3.86Å; F218-Y611 HydrophobicContact CG-CD2 3.86Å; F218-Y611 HydrophobicContact CG-CG 4.3Å; Y608-Y611 WeakPolarHBondContact O-CA 3.47Å; Y608-Y611 VanDerWaalsContact O-CB 3.3Å; Y608-Y611 WeakPolarHBondContact O-CB 3.41Å; Y608-Y611 PolarHBondContact O-N 2.98Å; M609-Y611 VanDerWaalsContact C-N 3.31Å; Y611-T613 PolarHBondContact O-N 3.43Å; Y611-T613 VanDerWaalsContact O-N 3.12Å; Y611-V614 HydrophobicContact CD2-CG2 4.26Å; Y611-V614 VanDerWaalsContact O-CG2 3.27Å; Y611-V614 WeakPolarHBondContact O-CG2 3.38Å; Y611-V614 PolarHBondContact O-N 3.21Å; Y611-A615 HydrophobicContact CD1-CB 4.17Å; Y611-A615 HydrophobicContact CE1-CB 3.83Å; Y611-A615 WeakPolarHBondContact O-CB 3.48Å; Y611-A615 PolarHBondContact O-N 3.39Å; Y611-L618 HydrophobicContact CE2-CD1 3.97Å; Y611-Q619 PolarHBondContact OH-OE1 3.24Å; Y611-W643 AromaticContact CD2-CH2 3.97Å; Y611-W643 HydrophobicContact CD2-CH2 3.97Å; Y611-W643 AromaticContact CE2-CH2 3.97Å; Y611-W643 HydrophobicContact CE2-CH2 3.97Å
612Y98.6Very high96.1Very high0 Ų08.3 Ų8.30%06%0.06CC..Hα-helixtrans-53.9-34172.5-75.6-46.9000113.7F48 T50 P88 G90 R204 F206 Y608 M609 A610 V614F48-Y612 HydrophobicContact CZ-CD2 4.23Å; T50-Y612 HydrophobicContact CG2-CD2 4.08Å; T50-Y612 HydrophobicContact CG2-CE2 4.06Å; P88-Y612 HydrophobicContact CB-CD1 3.55Å; P88-Y612 HydrophobicContact CB-CD2 4.22Å; P88-Y612 HydrophobicContact CB-CE1 3.98Å; P88-Y612 HydrophobicContact CB-CG 3.72Å; P88-Y612 HydrophobicContact CG-CD1 3.75Å; P88-Y612 HydrophobicContact CG-CD2 3.45Å; P88-Y612 VanDerWaalsContact CG-CD2 3.45Å; P88-Y612 HydrophobicContact CG-CE1 4.22Å; P88-Y612 HydrophobicContact CG-CE2 3.92Å; P88-Y612 HydrophobicContact CG-CG 3.37Å; G90-Y612 VanDerWaalsContact N-CE1 3.33Å; G90-Y612 PolarHBondContact N-OH 3.42Å; R204-Y612 WeakPolarHBondContact CD-O 3.34Å; R204-Y612 PolarHBondContact NH1-O 3.32Å; F206-Y612 HydrophobicContact CD1-CD1 4.18Å; F206-Y612 HydrophobicContact CD1-CE1 4.19Å; F206-Y612 AromaticContact CE1-CD1 3.36Å; F206-Y612 HydrophobicContact CE1-CD1 3.36Å; F206-Y612 AromaticContact CE1-CE1 3.38Å; F206-Y612 HydrophobicContact CE1-CE1 3.38Å; F206-Y612 HydrophobicContact CE1-CG 4.29Å; F206-Y612 HydrophobicContact CZ-CD1 4.2Å; F206-Y612 AromaticContact CZ-CE1 3.96Å; F206-Y612 HydrophobicContact CZ-CE1 3.96Å; Y608-Y612 HydrophobicContact CD2-CD2 4.28Å; Y608-Y612 AromaticContact CD2-CE2 3.76Å; Y608-Y612 HydrophobicContact CD2-CE2 3.76Å; Y608-Y612 AromaticContact CD2-CZ 3.93Å; Y608-Y612 HydrophobicContact CE2-CD2 4.23Å; Y608-Y612 AromaticContact CE2-CE2 3.33Å; Y608-Y612 HydrophobicContact CE2-CE2 3.33Å; Y608-Y612 AromaticContact CE2-CZ 3.5Å; Y608-Y612 WeakPolarHBondContact CE2-OH 3.28Å; Y608-Y612 PolarHBondContact O-N 2.81Å; M609-Y612 HydrophobicContact CB-CD2 4.23Å; M609-Y612 WeakPolarHBondContact O-CB 3.49Å; M609-Y612 PolarHBondContact O-N 3.12Å; A610-Y612 VanDerWaalsContact C-N 3.33Å; A610-Y612 PolarHBondContact O-N 3.04Å; Y612-V614 PolarHBondContact O-N 3.42Å
613T98.2Very high96.5Very high0 Ų07.6 Ų7.60%06%0.056CC..Hα-helixtrans-66.4-24.3-177.871.20000112.1F48 R204 A610 Y611 H616 E669 F670 W673 Y674F48-T613 HydrophobicContact CE1-CG2 4.15Å; F48-T613 HydrophobicContact CZ-CG2 4.5Å; R204-T613 PolarHBondContact NH1-O 2.93Å; A610-T613 WeakPolarHBondContact O-CB 3.45Å; A610-T613 PolarHBondContact O-N 3.17Å; A610-T613 VanDerWaalsContact O-N 3.13Å; A610-T613 PolarHBondContact O-OG1 3.47Å; Y611-T613 PolarHBondContact O-N 3.43Å; Y611-T613 VanDerWaalsContact O-N 3.12Å; T613-H616 PolarHBondContact O-CE1 3.11Å; T613-H616 VanDerWaalsContact O-CE1 3.25Å; T613-H616 PolarHBondContact O-ND1 3.43Å; T613-E669 WeakPolarHBondContact O-CB 3.29Å; T613-F670 HydrophobicContact CG2-CD2 4.41Å; T613-F670 WeakPolarHBondContact OG1-CA 3.34Å; T613-W673 HydrophobicContact CG2-CB 3.85Å; T613-Y674 HydrophobicContact CG2-CD2 4.08Å; T613-Y674 HydrophobicContact CG2-CE2 4.48Å
614V98.2Very high96.6Very high0 Ų010 Ų100%07%0.069CC..Hα-helixtrans-116.8-15.8-174.1-69.30000114.2Y611 Y612 H616 L617 L618 W643 I646 F647 L666Y611-V614 HydrophobicContact CD2-CG2 4.26Å; Y611-V614 VanDerWaalsContact O-CG2 3.27Å; Y611-V614 WeakPolarHBondContact O-CG2 3.38Å; Y611-V614 PolarHBondContact O-N 3.21Å; Y612-V614 PolarHBondContact O-N 3.42Å; V614-H616 VanDerWaalsContact C-N 3.3Å; V614-H616 PolarHBondContact O-N 3.14Å; V614-H616 VanDerWaalsContact O-N 3.16Å; V614-L617 PolarHBondContact O-N 2.87Å; V614-L618 HydrophobicContact CB-CD1 4.25Å; V614-L618 HydrophobicContact CG2-CD1 3.96Å; V614-L618 PolarHBondContact O-N 3.37Å; V614-W643 HydrophobicContact CG2-CZ3 4.19Å; V614-I646 HydrophobicContact CG1-CG2 4.15Å; V614-F647 HydrophobicContact CG2-CZ 4.15Å; V614-L666 HydrophobicContact CB-CD2 3.73Å; V614-L666 HydrophobicContact CG1-CB 3.98Å; V614-L666 HydrophobicContact CG1-CD2 3.73Å; V614-L666 HydrophobicContact CG1-CG 4.46Å
615A98.1Very high96.5Very high0 Ų010 Ų100%07%0.069CC..Hα-helixtrans-52.5-41.3-175.500000114R204 F206 Y611 L617 L618 Q619 G620R204-A615 HydrophobicContact CB-CB 4.36Å; F206-A615 HydrophobicContact CD1-CB 4.28Å; Y611-A615 HydrophobicContact CD1-CB 4.17Å; Y611-A615 HydrophobicContact CE1-CB 3.83Å; Y611-A615 WeakPolarHBondContact O-CB 3.48Å; Y611-A615 PolarHBondContact O-N 3.39Å; A615-L617 PolarHBondContact O-N 2.85Å; A615-L618 PolarHBondContact O-N 3.28Å; A615-L618 VanDerWaalsContact O-N 3.16Å; A615-Q619 HydrophobicContact CB-CG 4.4Å; A615-Q619 WeakPolarHBondContact O-CG 3.41Å; A615-Q619 PolarHBondContact O-N 3.36Å; A615-G620 PolarHBondContact O-N 3.27Å
616H98Very high96.2Very high6 Ų616.4 Ų16.43%0.02810%0.099CC..Hα-helixtrans-62-21.6177.169.9-54.3000115.2D33 R203 R204 T613 V614 P630 E669D33-H616 IonicContact OD1-CD2 3.32Å; D33-H616 IonicContact OD1-NE2 3.95Å; R203-H616 HydrophobicContact CB-CB 3.57Å; R203-H616 VanDerWaalsContact O-CA 3.23Å; R203-H616 WeakPolarHBondContact O-CA 3.46Å; R203-H616 PolarHBondContact O-N 2.98Å; R204-H616 HydrophobicContact CG-CB 3.67Å; R204-H616 VanDerWaalsContact CZ-ND1 3.32Å; R204-H616 PolarHBondContact NH1-CE1 2.91Å; R204-H616 VanDerWaalsContact NH1-CE1 3.28Å; R204-H616 PolarHBondContact NH1-ND1 3.46Å; R204-H616 VanDerWaalsContact NH1-ND1 3.14Å; R204-H616 PolarHBondContact NH2-CE1 3.35Å; R204-H616 PolarHBondContact NH2-NE2 3.07Å; T613-H616 PolarHBondContact O-CE1 3.11Å; T613-H616 VanDerWaalsContact O-CE1 3.25Å; T613-H616 PolarHBondContact O-ND1 3.43Å; V614-H616 VanDerWaalsContact C-N 3.3Å; V614-H616 PolarHBondContact O-N 3.14Å; V614-H616 VanDerWaalsContact O-N 3.16Å; H616-P630 WeakPolarHBondContact O-CG 3.44Å; H616-E669 IonicContact CE1-OE2 3.38Å; H616-E669 PolarHBondContact CE1-OE2 3.3Å; H616-E669 IonicContact NE2-OE1 3.92Å; H616-E669 IonicContact NE2-OE2 2.72Å
617L97.7Very high95.7Very high6 Ų617.7 Ų17.73%0.03111%0.112CC..Hα-helixtrans-98.8-18178.2-64.5174.4000112.5V614 A615 S629 L631 R665 L666 E669V614-L617 PolarHBondContact O-N 2.87Å; A615-L617 PolarHBondContact O-N 2.85Å; L617-S629 PolarHBondContact O-OG 3.37Å; L617-L631 HydrophobicContact CB-CD1 3.73Å; L617-L631 HydrophobicContact CB-CG 3.99Å; L617-L631 HydrophobicContact CD1-CD1 4.24Å; L617-L631 HydrophobicContact CD2-CD1 4.46Å; L617-L631 HydrophobicContact CD2-CD2 4.44Å; L617-L631 HydrophobicContact CD2-CG 4.32Å; L617-L631 HydrophobicContact CG-CD1 4.33Å; L617-L631 PolarHBondContact O-N 3.41Å; L617-R665 HydrophobicContact CD1-CG 3.85Å; L617-L666 HydrophobicContact CB-CD2 3.69Å; L617-L666 HydrophobicContact CD1-CD2 3.93Å; L617-L666 HydrophobicContact CG-CD2 4.44Å; L617-E669 HydrophobicContact CD1-CG 3.87Å
618L96.9Very high95.3Very high0 Ų025.4 Ų25.40%015%0.153CC..Hα-helixtrans-92.8-58.1178-65.1177.9000111.4F214 Y611 V614 A615 S629 P630 I633 M638 W643 L666F214-L618 HydrophobicContact CD1-CB 4.02Å; F214-L618 HydrophobicContact CD1-CD1 4.39Å; F214-L618 HydrophobicContact CD1-CD2 4.36Å; F214-L618 HydrophobicContact CD1-CG 4.49Å; F214-L618 HydrophobicContact CE1-CB 4.22Å; F214-L618 HydrophobicContact CE1-CD2 4.26Å; F214-L618 HydrophobicContact CG-CB 4.25Å; Y611-L618 HydrophobicContact CE2-CD1 3.97Å; V614-L618 HydrophobicContact CB-CD1 4.25Å; V614-L618 HydrophobicContact CG2-CD1 3.96Å; V614-L618 PolarHBondContact O-N 3.37Å; A615-L618 PolarHBondContact O-N 3.28Å; A615-L618 VanDerWaalsContact O-N 3.16Å; L618-S629 WeakPolarHBondContact O-CA 3.34Å; L618-S629 WeakPolarHBondContact O-CB 3.4Å; L618-S629 PolarHBondContact O-OG 3.36Å; L618-P630 WeakPolarHBondContact O-CD 3.45Å; L618-I633 HydrophobicContact CD2-CD1 4.24Å; L618-M638 HydrophobicContact CD1-CE 4.14Å; L618-M638 HydrophobicContact CD2-CE 4.14Å; L618-M638 HydrophobicContact CD2-SD 4.15Å; L618-W643 HydrophobicContact CD1-CH2 3.57Å; L618-W643 HydrophobicContact CD1-CZ2 4.47Å; L618-W643 HydrophobicContact CD1-CZ3 4.21Å; L618-L666 HydrophobicContact CD2-CD1 4.21Å; L618-L666 HydrophobicContact CD2-CD2 4.27Å; L618-L666 HydrophobicContact CG-CD2 4.3Å
619Q94.3Very high95.2Very high1 Ų126.2 Ų26.21%0.00516%0.159CC..THydrogen-bonded Turntrans-111.7-9.9-174.662.1-17998.700114.8S205 N212 F214 Y611 A615 G621 V622 L623S205-Q619 PolarHBondContact O-NE2 3.48Å; N212-Q619 PolarHBondContact ND2-OE1 2.92Å; F214-Q619 HydrophobicContact CD2-CB 4.24Å; Y611-Q619 PolarHBondContact OH-OE1 3.24Å; A615-Q619 HydrophobicContact CB-CG 4.4Å; A615-Q619 WeakPolarHBondContact O-CG 3.41Å; A615-Q619 PolarHBondContact O-N 3.36Å; Q619-G621 VanDerWaalsContact C-N 3.27Å; Q619-G621 PolarHBondContact O-N 3.22Å; Q619-G621 VanDerWaalsContact O-N 3.1Å; Q619-V622 PolarHBondContact NE2-O 2.67Å; Q619-V622 WeakPolarHBondContact O-CB 3.36Å; Q619-V622 PolarHBondContact O-N 3.15Å; Q619-L623 PolarHBondContact NE2-O 3.03Å
620G92.8Very high95Very high31 Ų3129.8 Ų29.832%0.3218%0.183SC..THydrogen-bonded Turntrans59.627.7168.600000116.3A615A615-G620 PolarHBondContact O-N 3.27Å
621G92Very high94.9Very high27 Ų2730.6 Ų30.628%0.27819%0.187SC..THydrogen-bonded Turntrans88.2-3.4-178.300000115R203 Q619 L623R203-G621 WeakPolarHBondContact O-CA 3.44Å; R203-G621 PolarHBondContact O-N 3.07Å; Q619-G621 VanDerWaalsContact C-N 3.27Å; Q619-G621 PolarHBondContact O-N 3.22Å; Q619-G621 VanDerWaalsContact O-N 3.1Å; G621-L623 PolarHBondContact O-N 2.91Å
622V95.3Very high94.7Very high58 Ų5833.4 Ų33.435%0.35222%0.215SC..  trans-72.5109.2170.1-178.70000108.2Q619 N624 G625Q619-V622 PolarHBondContact NE2-O 2.67Å; Q619-V622 WeakPolarHBondContact O-CB 3.36Å; Q619-V622 PolarHBondContact O-N 3.15Å; V622-N624 VanDerWaalsContact C-N 3.35Å; V622-N624 VanDerWaalsContact CG1-OD1 3.27Å; V622-N624 WeakPolarHBondContact CG1-OD1 3.14Å; V622-N624 PolarHBondContact O-N 3.18Å; V622-G625 PolarHBondContact O-N 3.43Å
623L95.2Very high94.6Very high29 Ų2933.6 Ų33.615%0.15222%0.216CC..THydrogen-bonded Turntrans-55.6-44.1-167.5-79.6-177.5000114.3L91 P186 P187 I190 F206 I207 Q619 G621 G625L91-L623 HydrophobicContact CD1-CD1 4.14Å; L91-L623 HydrophobicContact CD1-CD2 3.83Å; P186-L623 HydrophobicContact CB-CD1 3.8Å; P187-L623 HydrophobicContact CG-CD1 4.27Å; I190-L623 HydrophobicContact CD1-CD1 3.97Å; I190-L623 HydrophobicContact CD1-CD2 3.67Å; I190-L623 HydrophobicContact CD1-CG 4.08Å; F206-L623 WeakPolarHBondContact CA-O 3.43Å; I207-L623 WeakPolarHBondContact CG1-O 3.47Å; I207-L623 HydrophobicContact CG2-CB 4.29Å; I207-L623 PolarHBondContact N-O 2.89Å; Q619-L623 PolarHBondContact NE2-O 3.03Å; G621-L623 PolarHBondContact O-N 2.91Å; L623-G625 VanDerWaalsContact C-N 3.31Å
624N93.9Very high94.4Very high49 Ų4939.9 Ų39.926%0.26224%0.244SC..THydrogen-bonded Turntrans-84.61.2179.370.1-5.3000113.5I207 V211 N212 P213 V622 Q626I207-N624 HydrophobicContact CD1-CB 3.86Å; V211-N624 HydrophobicContact CG1-CB 4.25Å; V211-N624 VanDerWaalsContact O-O 3.13Å; N212-N624 VanDerWaalsContact CA-O 3.3Å; N212-N624 WeakPolarHBondContact CA-O 3.19Å; P213-N624 WeakPolarHBondContact CD-O 3.42Å; V622-N624 VanDerWaalsContact C-N 3.35Å; V622-N624 VanDerWaalsContact CG1-OD1 3.27Å; V622-N624 WeakPolarHBondContact CG1-OD1 3.14Å; V622-N624 PolarHBondContact O-N 3.18Å; N624-Q626 HydrophobicContact CB-CG 4.44Å; N624-Q626 PolarHBondContact ND2-OE1 3.44Å; N624-Q626 PolarHBondContact O-N 2.94Å; N624-Q626 VanDerWaalsContact O-N 3.07Å; N624-Q626 PolarHBondContact OD1-N 3.47Å; N624-Q626 VanDerWaalsContact OD1-N 3.17Å
625G91.3Very high94.2Very high1 Ų141 Ų411%0.0125%0.251CS..SBendtrans63.712.8178.200000115.8V622 L623V622-G625 PolarHBondContact O-N 3.43Å; L623-G625 VanDerWaalsContact C-N 3.31Å
626Q90.4Very high94Very high136 Ų13648.1 Ų48.164%0.63628%0.284SS*.  trans-89.6-6.3-179.2-65.5-174.2-10.900113.9N624N624-Q626 HydrophobicContact CB-CG 4.44Å; N624-Q626 PolarHBondContact ND2-OE1 3.44Å; N624-Q626 PolarHBondContact O-N 2.94Å; N624-Q626 VanDerWaalsContact O-N 3.07Å; N624-Q626 PolarHBondContact OD1-N 3.47Å; N624-Q626 VanDerWaalsContact OD1-N 3.17Å
627G86.6Confident93.9Very high28 Ų2850.1 Ų50.129%0.28929%0.294SS..SBendtrans-79.5172173.900000112.6S629G627-S629 PolarHBondContact O-N 3.39Å
628D90.3Very high93.8Very high161 Ų16150.1 Ų50.186%0.86129%0.294SS*.PPolyproline II helixtrans-62.5135.1177.9-68.4-40.7000111.8
629S94.8Very high93.8Very high18 Ų1852.9 Ų52.913%0.12631%0.311CS..PPolyproline II helixtrans-69.9132.2176178.90000111.2L617 L618 G627 L631 G632 I633L617-S629 PolarHBondContact O-OG 3.37Å; L618-S629 WeakPolarHBondContact O-CA 3.34Å; L618-S629 WeakPolarHBondContact O-CB 3.4Å; L618-S629 PolarHBondContact O-OG 3.36Å; G627-S629 PolarHBondContact O-N 3.39Å; S629-L631 PolarHBondContact O-N 3Å; S629-L631 VanDerWaalsContact O-N 3.16Å; S629-L631 PolarHBondContact OG-N 2.92Å; S629-G632 WeakPolarHBondContact O-CA 3.39Å; S629-G632 PolarHBondContact O-N 3.38Å; S629-I633 WeakPolarHBondContact CB-O 3.43Å; S629-I633 PolarHBondContact OG-N 3.27Å; S629-I633 PolarHBondContact OG-O 2.93Å
630P95.4Very high93.9Very high75 Ų7556.5 Ų56.549%0.48732%0.324SS..THydrogen-bonded Turntrans-58-27.7175.2-29.338.1000114.6H616 L618H616-P630 WeakPolarHBondContact O-CG 3.44Å; L618-P630 WeakPolarHBondContact O-CD 3.45Å
631L95.4Very high94Very high17 Ų1759.9 Ų59.99%0.08933%0.332CS..THydrogen-bonded Turntrans-96.85.5173.5-67.5-175000113.5L617 S629 I633 H662 L666L617-L631 HydrophobicContact CB-CD1 3.73Å; L617-L631 HydrophobicContact CB-CG 3.99Å; L617-L631 HydrophobicContact CD1-CD1 4.24Å; L617-L631 HydrophobicContact CD2-CD1 4.46Å; L617-L631 HydrophobicContact CD2-CD2 4.44Å; L617-L631 HydrophobicContact CD2-CG 4.32Å; L617-L631 HydrophobicContact CG-CD1 4.33Å; L617-L631 PolarHBondContact O-N 3.41Å; S629-L631 PolarHBondContact O-N 3Å; S629-L631 VanDerWaalsContact O-N 3.16Å; S629-L631 PolarHBondContact OG-N 2.92Å; L631-I633 HydrophobicContact CB-CD1 3.98Å; L631-I633 HydrophobicContact CB-CG1 4.02Å; L631-I633 HydrophobicContact CD1-CD1 4.24Å; L631-I633 PolarHBondContact O-N 3Å; L631-H662 HydrophobicContact CD1-CB 4.09Å; L631-H662 PolarHBondContact O-CE1 3.3Å; L631-H662 PolarHBondContact O-ND1 2.99Å; L631-L666 HydrophobicContact CD1-CD1 4.48Å; L631-L666 HydrophobicContact CD1-CD2 4.17Å; L631-L666 HydrophobicContact CD1-CG 4.11Å
632G94.7Very high94.3Very high58 Ų5858.6 Ų58.660%0.59832%0.318SS*.  trans65.519-177.100000114.3S629S629-G632 WeakPolarHBondContact O-CA 3.39Å; S629-G632 PolarHBondContact O-N 3.38Å
633I96.2Very high94.4Very high4 Ų455.8 Ų55.82%0.02130%0.302CS..  trans-84.3127.2179.3-60.5172.8000108.7F214 L618 S629 L631 Q637 M638 I658 H662 L666F214-I633 WeakPolarHBondContact CZ-O 3.19Å; L618-I633 HydrophobicContact CD2-CD1 4.24Å; S629-I633 WeakPolarHBondContact CB-O 3.43Å; S629-I633 PolarHBondContact OG-N 3.27Å; S629-I633 PolarHBondContact OG-O 2.93Å; L631-I633 HydrophobicContact CB-CD1 3.98Å; L631-I633 HydrophobicContact CB-CG1 4.02Å; L631-I633 HydrophobicContact CD1-CD1 4.24Å; L631-I633 PolarHBondContact O-N 3Å; I633-Q637 HydrophobicContact CG2-CB 4.46Å; I633-M638 HydrophobicContact CG2-CG 4.08Å; I633-M638 HydrophobicContact CG2-SD 3.7Å; I633-I658 HydrophobicContact CD1-CG2 3.83Å; I633-I658 HydrophobicContact CG1-CD1 4.46Å; I633-I658 HydrophobicContact CG1-CG1 4.39Å; I633-I658 HydrophobicContact CG1-CG2 3.88Å; I633-I658 HydrophobicContact CG2-CD1 3.69Å; I633-I658 HydrophobicContact CG2-CG1 4.17Å; I633-H662 HydrophobicContact CD1-CB 4.34Å; I633-L666 HydrophobicContact CD1-CD1 3.78Å
634K94.9Very high94.5Very high132 Ų13255.7 Ų55.757%0.57430%0.301SS*.  trans-83147.4176-56.7-177.1179.8-178.80111E636 Q637K634-E636 WeakPolarHBondContact CB-OE2 3.43Å; K634-E636 PolarHBondContact O-N 3.05Å; K634-Q637 HydrophobicContact CB-CG 4.12Å; K634-Q637 WeakPolarHBondContact O-CB 3.2Å; K634-Q637 PolarHBondContact O-N 3.11Å
635P93.8Very high94.7Very high25 Ų2553.8 Ų53.816%0.16229%0.291CS..G310 helixtrans-55.6-37.1179.6-2331.1000113.7P213 F214 Q637 M638P213-P635 HydrophobicContact CB-CB 3.64Å; P213-P635 HydrophobicContact CB-CG 3.94Å; P213-P635 HydrophobicContact CG-CB 3.9Å; P213-P635 HydrophobicContact CG-CG 3.62Å; F214-P635 HydrophobicContact CD1-CB 4.27Å; F214-P635 HydrophobicContact CD1-CG 4.38Å; F214-P635 HydrophobicContact CD2-CG 4.14Å; F214-P635 HydrophobicContact CE1-CB 4.21Å; F214-P635 HydrophobicContact CE1-CG 4Å; F214-P635 HydrophobicContact CE2-CG 3.75Å; F214-P635 HydrophobicContact CG-CB 4.48Å; F214-P635 HydrophobicContact CG-CG 4.44Å; F214-P635 HydrophobicContact CZ-CB 4.38Å; F214-P635 HydrophobicContact CZ-CG 3.68Å; P635-Q637 PolarHBondContact O-N 3.39Å; P635-M638 WeakPolarHBondContact O-CB 3.37Å; P635-M638 PolarHBondContact O-N 3.04Å; P635-M638 VanDerWaalsContact O-N 3.15Å
636E93.9Very high94.9Very high148 Ų14853.8 Ų53.869%0.69229%0.29SS*.G310 helixtrans-69.2-20.7-178.8-52.174-155.700112.6K634 M638K634-E636 WeakPolarHBondContact CB-OE2 3.43Å; K634-E636 PolarHBondContact O-N 3.05Å; E636-M638 VanDerWaalsContact C-N 3.3Å
637Q95.4Very high95.3Very high48 Ų4847.3 Ų47.322%0.22426%0.26CS..G310 helixtrans-80-13.5177-63.2177.3-58.700112.6I633 K634 P635 T639 I658I633-Q637 HydrophobicContact CG2-CB 4.46Å; K634-Q637 HydrophobicContact CB-CG 4.12Å; K634-Q637 WeakPolarHBondContact O-CB 3.2Å; K634-Q637 PolarHBondContact O-N 3.11Å; P635-Q637 PolarHBondContact O-N 3.39Å; Q637-T639 PolarHBondContact O-N 2.76Å; Q637-I658 HydrophobicContact CB-CD1 3.92Å; Q637-I658 HydrophobicContact CB-CG1 4.1Å
638M97Very high95.7Very high6 Ų647 Ų473%0.0325%0.251CS..  trans-80.272.3177.3-64.3-61.1-71.200110F214 S217 L618 I633 P635 E636 V642 W643 I646 I658F214-M638 HydrophobicContact CD1-CG 4.2Å; F214-M638 HydrophobicContact CE1-CG 4.36Å; S217-M638 WeakPolarHBondContact OG-CB 3.2Å; S217-M638 PolarHBondContact OG-O 3.44Å; L618-M638 HydrophobicContact CD1-CE 4.14Å; L618-M638 HydrophobicContact CD2-CE 4.14Å; L618-M638 HydrophobicContact CD2-SD 4.15Å; I633-M638 HydrophobicContact CG2-CG 4.08Å; I633-M638 HydrophobicContact CG2-SD 3.7Å; P635-M638 WeakPolarHBondContact O-CB 3.37Å; P635-M638 PolarHBondContact O-N 3.04Å; P635-M638 VanDerWaalsContact O-N 3.15Å; E636-M638 VanDerWaalsContact C-N 3.3Å; M638-V642 HydrophobicContact CE-CG1 4.05Å; M638-V642 HydrophobicContact SD-CG1 3.76Å; M638-W643 HydrophobicContact CB-CZ2 4.09Å; M638-W643 HydrophobicContact CE-CD2 3.7Å; M638-W643 HydrophobicContact CE-CE3 3.58Å; M638-W643 HydrophobicContact CE-CH2 3.26Å; M638-W643 HydrophobicContact CE-CZ2 3.34Å; M638-W643 HydrophobicContact CE-CZ3 3.36Å; M638-W643 HydrophobicContact CG-CZ2 4.34Å; M638-W643 PolarHBondContact O-NE1 3.34Å; M638-I646 HydrophobicContact CE-CD1 3.69Å; M638-I658 HydrophobicContact SD-CD1 4.32Å
639T96.4Very high95.6Very high58 Ų5846.7 Ų46.736%0.35624%0.242SC..  trans-77.3171.4176.871.90000111.6Q637 E641 V642 W643Q637-T639 PolarHBondContact O-N 2.76Å; T639-E641 VanDerWaalsContact C-N 3.29Å; T639-E641 PolarHBondContact O-N 3.25Å; T639-E641 PolarHBondContact OG1-OE2 3.19Å; T639-V642 WeakPolarHBondContact O-CB 3.33Å; T639-V642 PolarHBondContact O-N 3.28Å; T639-V642 VanDerWaalsContact O-N 3.15Å; T639-W643 VanDerWaalsContact O-CD1 3.26Å; T639-W643 PolarHBondContact O-N 3.14Å
640R95.3Very high95.2Very high77 Ų7751.4 Ų51.429%0.29128%0.275SS..Hα-helixtrans-52.5-46.4174.9179.4-168.6169.6158.11.9112.3D228 V642 W643 D644D228-R640 IonicContact OD2-CZ 3.13Å; D228-R640 IonicContact OD2-NH1 2.64Å; D228-R640 PolarHBondContact OD2-NH1 2.95Å; D228-R640 IonicContact OD2-NH2 3.4Å; D228-R640 PolarHBondContact OD2-NH2 3.37Å; R640-V642 VanDerWaalsContact C-N 3.28Å; R640-V642 PolarHBondContact O-N 3.46Å; R640-W643 PolarHBondContact O-N 2.76Å; R640-D644 IonicContact NE-OD2 2.73Å; R640-D644 WeakPolarHBondContact O-CB 3.49Å; R640-D644 PolarHBondContact O-N 2.86Å
641E96.3Very high95Very high102 Ų10249 Ų4948%0.47726%0.259SS..Hα-helixtrans-69-30.2-176.7-5870.6-15300111.6T639 F645 P654T639-E641 VanDerWaalsContact C-N 3.29Å; T639-E641 PolarHBondContact O-N 3.25Å; T639-E641 PolarHBondContact OG1-OE2 3.19Å; E641-F645 PolarHBondContact O-N 3.16Å; E641-P654 HydrophobicContact CB-CB 3.72Å
642V97.7Very high94.9Very high0 Ų053.3 Ų53.30%029%0.289CS..Hα-helixtrans-67.2-46.2172.7172.50000110.9M638 T639 R640 F645 I646 P654 T656 I658 L663M638-V642 HydrophobicContact CE-CG1 4.05Å; M638-V642 HydrophobicContact SD-CG1 3.76Å; T639-V642 WeakPolarHBondContact O-CB 3.33Å; T639-V642 PolarHBondContact O-N 3.28Å; T639-V642 VanDerWaalsContact O-N 3.15Å; R640-V642 VanDerWaalsContact C-N 3.28Å; R640-V642 PolarHBondContact O-N 3.46Å; V642-F645 WeakPolarHBondContact O-CB 3.2Å; V642-F645 PolarHBondContact O-N 3.08Å; V642-I646 HydrophobicContact CG1-CD1 4.08Å; V642-I646 WeakPolarHBondContact O-CG1 3.38Å; V642-I646 PolarHBondContact O-N 3.34Å; V642-P654 HydrophobicContact CG2-CB 4.33Å; V642-P654 HydrophobicContact CG2-CG 3.84Å; V642-T656 HydrophobicContact CG2-CG2 4.31Å; V642-I658 HydrophobicContact CG1-CD1 4.13Å; V642-I658 HydrophobicContact CG2-CD1 4.38Å; V642-L663 HydrophobicContact CG1-CD1 4.42Å; V642-L663 HydrophobicContact CG1-CD2 3.72Å
643W98.1Very high94.9Very high0 Ų054.6 Ų54.60%028%0.278CS..Hα-helixtrans-64.7-40.7174.6-71.6122.6000113S217 F218 W221 Y611 V614 L618 M638 T639 R640 F645 I646 F647S217-W643 PolarHBondContact OG-NE1 2.77Å; F218-W643 HydrophobicContact CB-CH2 4.22Å; F218-W643 HydrophobicContact CB-CZ2 3.84Å; F218-W643 HydrophobicContact CD2-CE3 4.45Å; F218-W643 HydrophobicContact CD2-CH2 4.35Å; F218-W643 HydrophobicContact CD2-CZ3 4.32Å; W221-W643 HydrophobicContact CB-CB 4.03Å; W221-W643 HydrophobicContact CB-CG 3.94Å; W221-W643 HydrophobicContact CD2-CB 3.66Å; W221-W643 HydrophobicContact CD2-CG 4.22Å; W221-W643 HydrophobicContact CE3-CB 4.45Å; W221-W643 HydrophobicContact CG-CB 3.4Å; W221-W643 VanDerWaalsContact CG-CB 3.4Å; W221-W643 AromaticContact CG-CD1 3.95Å; W221-W643 AromaticContact CG-CG 3.84Å; W221-W643 HydrophobicContact CG-CG 3.84Å; Y611-W643 AromaticContact CD2-CH2 3.97Å; Y611-W643 HydrophobicContact CD2-CH2 3.97Å; Y611-W643 AromaticContact CE2-CH2 3.97Å; Y611-W643 HydrophobicContact CE2-CH2 3.97Å; V614-W643 HydrophobicContact CG2-CZ3 4.19Å; L618-W643 HydrophobicContact CD1-CH2 3.57Å; L618-W643 HydrophobicContact CD1-CZ2 4.47Å; L618-W643 HydrophobicContact CD1-CZ3 4.21Å; M638-W643 HydrophobicContact CB-CZ2 4.09Å; M638-W643 HydrophobicContact CE-CD2 3.7Å; M638-W643 HydrophobicContact CE-CE3 3.58Å; M638-W643 HydrophobicContact CE-CH2 3.26Å; M638-W643 HydrophobicContact CE-CZ2 3.34Å; M638-W643 HydrophobicContact CE-CZ3 3.36Å; M638-W643 HydrophobicContact CG-CZ2 4.34Å; M638-W643 PolarHBondContact O-NE1 3.34Å; T639-W643 VanDerWaalsContact O-CD1 3.26Å; T639-W643 PolarHBondContact O-N 3.14Å; R640-W643 PolarHBondContact O-N 2.76Å; W643-F645 VanDerWaalsContact C-N 3.28Å; W643-F645 PolarHBondContact O-N 3.36Å; W643-I646 HydrophobicContact CE3-CD1 3.89Å; W643-I646 HydrophobicContact CZ3-CD1 4.14Å; W643-I646 PolarHBondContact O-N 3.45Å; W643-I646 VanDerWaalsContact O-N 3.11Å; W643-F647 HydrophobicContact CD2-CE2 4.2Å; W643-F647 AromaticContact CE3-CD2 3.97Å; W643-F647 HydrophobicContact CE3-CD2 3.97Å; W643-F647 AromaticContact CE3-CE2 3.24Å; W643-F647 HydrophobicContact CE3-CE2 3.24Å; W643-F647 AromaticContact CE3-CZ 3.96Å; W643-F647 HydrophobicContact CE3-CZ 3.96Å; W643-F647 AromaticContact CZ3-CE2 3.57Å; W643-F647 HydrophobicContact CZ3-CE2 3.57Å; W643-F647 AromaticContact CZ3-CZ 3.82Å; W643-F647 HydrophobicContact CZ3-CZ 3.82Å; W643-F647 PolarHBondContact O-N 3.25Å
644D97.2Very high94.8Very high27 Ų2755 Ų5514%0.14428%0.281CS..Hα-helixtrans-58.2-41.4173.8-77.4-13.1000110.9W221 R640 F648 S651W221-D644 PolarHBondContact NE1-OD1 3.25Å; R640-D644 IonicContact NE-OD2 2.73Å; R640-D644 WeakPolarHBondContact O-CB 3.49Å; R640-D644 PolarHBondContact O-N 2.86Å; D644-F648 HydrophobicContact CB-CD2 4.1Å; D644-F648 WeakPolarHBondContact O-CA 3.29Å; D644-F648 VanDerWaalsContact O-CB 3.31Å; D644-F648 WeakPolarHBondContact O-CB 3.45Å; D644-F648 PolarHBondContact O-N 2.93Å; D644-F648 WeakPolarHBondContact OD1-CD2 3.39Å; D644-F648 WeakPolarHBondContact OD1-CE2 3.46Å; D644-S651 WeakPolarHBondContact O-CB 3.46Å; D644-S651 PolarHBondContact O-OG 3.12Å; D644-S651 VanDerWaalsContact O-OG 3.14Å
645F97Very high94.7Very high9 Ų959.1 Ų59.14%0.03930%0.299CS..Hα-helixtrans-63.2-45174179.6-92.7000111.6E641 V642 W643 P652 F653 P654 L663 Q664 R667E641-F645 PolarHBondContact O-N 3.16Å; V642-F645 WeakPolarHBondContact O-CB 3.2Å; V642-F645 PolarHBondContact O-N 3.08Å; W643-F645 VanDerWaalsContact C-N 3.28Å; W643-F645 PolarHBondContact O-N 3.36Å; F645-P652 WeakPolarHBondContact CD2-O 3.21Å; F645-F653 HydrophobicContact CD2-CB 4.29Å; F645-F653 HydrophobicContact CD2-CD2 4.18Å; F645-F653 HydrophobicContact CE1-CD2 4.24Å; F645-F653 HydrophobicContact CE2-CB 4.03Å; F645-F653 AromaticContact CE2-CD2 3.67Å; F645-F653 HydrophobicContact CE2-CD2 3.67Å; F645-F653 HydrophobicContact CE2-CG 4.33Å; F645-F653 AromaticContact CZ-CD2 3.71Å; F645-F653 HydrophobicContact CZ-CD2 3.71Å; F645-F653 HydrophobicContact CZ-CE2 4.33Å; F645-P654 HydrophobicContact CB-CG 4.35Å; F645-L663 HydrophobicContact CD1-CB 3.83Å; F645-L663 HydrophobicContact CD1-CD1 4.23Å; F645-L663 HydrophobicContact CE1-CB 3.63Å; F645-Q664 HydrophobicContact CZ-CG 4.43Å; F645-R667 VanDerWaalsContact CD2-CZ 3.49Å; F645-R667 VanDerWaalsContact CE2-NH1 3.32Å; F645-R667 VanDerWaalsContact CZ-CZ 3.43Å; F645-R667 PolarHBondContact O-NE 2.96Å; F645-R667 PolarHBondContact O-NH2 3.32Å
646I96.6Very high94.8Very high0 Ų059.6 Ų59.60%030%0.302CS..Hα-helixtrans-65-44.2-177.1-65.9163.3000111.5V614 M638 V642 W643 L663 L666V614-I646 HydrophobicContact CG1-CG2 4.15Å; M638-I646 HydrophobicContact CE-CD1 3.69Å; V642-I646 HydrophobicContact CG1-CD1 4.08Å; V642-I646 WeakPolarHBondContact O-CG1 3.38Å; V642-I646 PolarHBondContact O-N 3.34Å; W643-I646 HydrophobicContact CE3-CD1 3.89Å; W643-I646 HydrophobicContact CZ3-CD1 4.14Å; W643-I646 PolarHBondContact O-N 3.45Å; W643-I646 VanDerWaalsContact O-N 3.11Å; I646-L663 HydrophobicContact CD1-CD2 4.33Å; I646-L666 HydrophobicContact CD1-CB 4.1Å; I646-L666 HydrophobicContact CD1-CD1 3.79Å; I646-L666 HydrophobicContact CG1-CB 4.02Å; I646-L666 HydrophobicContact CG1-CD1 4.47Å; I646-L666 HydrophobicContact CG2-CB 4.17Å
647F97.3Very high94.8Very high1 Ų159.7 Ų59.70%0.00431%0.307CS..Hα-helixtrans-103.8-17.1-167.7-63.3-51.9000115.8F218 W221 A610 V614 W643 F670 W701F218-F647 AromaticContact CD2-CE2 3.74Å; F218-F647 HydrophobicContact CD2-CE2 3.74Å; F218-F647 HydrophobicContact CD2-CZ 4.25Å; F218-F647 HydrophobicContact CE2-CD2 4.32Å; F218-F647 AromaticContact CE2-CE2 3.51Å; F218-F647 HydrophobicContact CE2-CE2 3.51Å; F218-F647 AromaticContact CE2-CZ 3.9Å; F218-F647 HydrophobicContact CE2-CZ 3.9Å; W221-F647 HydrophobicContact CE3-CD2 4.34Å; W221-F647 HydrophobicContact CH2-CB 3.91Å; W221-F647 AromaticContact CH2-CD2 3.42Å; W221-F647 HydrophobicContact CH2-CD2 3.42Å; W221-F647 VanDerWaalsContact CH2-CD2 3.42Å; W221-F647 HydrophobicContact CH2-CE2 4.26Å; W221-F647 AromaticContact CH2-CG 3.97Å; W221-F647 HydrophobicContact CH2-CG 3.97Å; W221-F647 HydrophobicContact CZ2-CB 4.04Å; W221-F647 AromaticContact CZ2-CD2 3.85Å; W221-F647 HydrophobicContact CZ2-CD2 3.85Å; W221-F647 HydrophobicContact CZ2-CG 4.4Å; W221-F647 AromaticContact CZ3-CD2 3.71Å; W221-F647 HydrophobicContact CZ3-CD2 3.71Å; W221-F647 HydrophobicContact CZ3-CE2 4.1Å; A610-F647 HydrophobicContact CB-CD1 4.24Å; A610-F647 HydrophobicContact CB-CE1 3.87Å; A610-F647 HydrophobicContact CB-CZ 4.18Å; V614-F647 HydrophobicContact CG2-CZ 4.15Å; W643-F647 HydrophobicContact CD2-CE2 4.2Å; W643-F647 AromaticContact CE3-CD2 3.97Å; W643-F647 HydrophobicContact CE3-CD2 3.97Å; W643-F647 AromaticContact CE3-CE2 3.24Å; W643-F647 HydrophobicContact CE3-CE2 3.24Å; W643-F647 AromaticContact CE3-CZ 3.96Å; W643-F647 HydrophobicContact CE3-CZ 3.96Å; W643-F647 AromaticContact CZ3-CE2 3.57Å; W643-F647 HydrophobicContact CZ3-CE2 3.57Å; W643-F647 AromaticContact CZ3-CZ 3.82Å; W643-F647 HydrophobicContact CZ3-CZ 3.82Å; W643-F647 PolarHBondContact O-N 3.25Å; F647-F670 HydrophobicContact CB-CE1 4.38Å; F647-F670 HydrophobicContact CD1-CB 4.1Å; F647-F670 AromaticContact CD1-CD1 3.83Å; F647-F670 HydrophobicContact CD1-CD1 3.83Å; F647-F670 AromaticContact CD1-CD2 3.46Å; F647-F670 HydrophobicContact CD1-CD2 3.46Å; F647-F670 VanDerWaalsContact CD1-CD2 3.46Å; F647-F670 HydrophobicContact CD1-CE1 4.09Å; F647-F670 AromaticContact CD1-CE2 3.74Å; F647-F670 HydrophobicContact CD1-CE2 3.74Å; F647-F670 AromaticContact CD1-CG 3.5Å; F647-F670 HydrophobicContact CD1-CG 3.5Å; F647-F670 VanDerWaalsContact CD1-CG 3.5Å; F647-F670 HydrophobicContact CD1-CZ 4.05Å; F647-F670 HydrophobicContact CE1-CB 4.11Å; F647-F670 AromaticContact CE1-CD2 3.66Å; F647-F670 HydrophobicContact CE1-CD2 3.66Å; F647-F670 HydrophobicContact CE1-CE2 4.23Å; F647-F670 AromaticContact CE1-CG 3.88Å; F647-F670 HydrophobicContact CE1-CG 3.88Å; F647-F670 WeakPolarHBondContact O-CE1 3.24Å; F647-W701 HydrophobicContact CB-CZ2 4.26Å; F647-W701 PolarHBondContact O-NE1 3.04Å
648F95.5Very high94.8Very high22 Ų2257.7 Ų57.710%0.09630%0.297CS..  trans-112.1113175.9-56.1-36.4000110.6W221 T225 D644 S650 S651 M700 W701W221-F648 HydrophobicContact CH2-CZ 4.42Å; W221-F648 HydrophobicContact CZ2-CE1 4.22Å; W221-F648 AromaticContact CZ2-CE2 3.99Å; W221-F648 HydrophobicContact CZ2-CE2 3.99Å; W221-F648 AromaticContact CZ2-CZ 3.67Å; W221-F648 HydrophobicContact CZ2-CZ 3.67Å; T225-F648 HydrophobicContact CG2-CE2 4.4Å; T225-F648 HydrophobicContact CG2-CZ 4.2Å; D644-F648 HydrophobicContact CB-CD2 4.1Å; D644-F648 WeakPolarHBondContact O-CA 3.29Å; D644-F648 VanDerWaalsContact O-CB 3.31Å; D644-F648 WeakPolarHBondContact O-CB 3.45Å; D644-F648 PolarHBondContact O-N 2.93Å; D644-F648 WeakPolarHBondContact OD1-CD2 3.39Å; D644-F648 WeakPolarHBondContact OD1-CE2 3.46Å; F648-S650 PolarHBondContact O-N 3.27Å; F648-S650 VanDerWaalsContact O-N 3.14Å; F648-S651 WeakPolarHBondContact CB-OG 3.44Å; F648-S651 WeakPolarHBondContact O-CB 3.48Å; F648-S651 PolarHBondContact O-N 2.63Å; F648-M700 WeakPolarHBondContact CE1-O 3.35Å; F648-M700 HydrophobicContact CZ-CE 3.97Å; F648-W701 AromaticContact CD1-CD1 3.86Å; F648-W701 AromaticContact CD1-NE1 3.71Å; F648-W701 AromaticContact CE1-CD1 3.99Å; F648-W701 AromaticContact CE1-NE1 3.78Å
649K87.9Confident94.7Very high153 Ų15360.6 Ų60.667%0.66532%0.317SS*.THydrogen-bonded Turntrans-54.3-35.6-176.1-173.5173.2-178.9174.60114.2S651K649-S651 VanDerWaalsContact C-N 3.35Å
650S88.1Confident94.6Very high118 Ų11863.9 Ų63.983%0.82533%0.326SS*.THydrogen-bonded Turntrans-83.7-5.4-179.357.40000114.3F648F648-S650 PolarHBondContact O-N 3.27Å; F648-S650 VanDerWaalsContact O-N 3.14Å
651S90.7Very high94.6Very high23 Ų2367.2 Ų67.216%0.16135%0.345CS..PPolyproline II helixtrans-73.5136.8-176.1-70.30000112.1D644 F648 K649 R667D644-S651 WeakPolarHBondContact O-CB 3.46Å; D644-S651 PolarHBondContact O-OG 3.12Å; D644-S651 VanDerWaalsContact O-OG 3.14Å; F648-S651 WeakPolarHBondContact CB-OG 3.44Å; F648-S651 WeakPolarHBondContact O-CB 3.48Å; F648-S651 PolarHBondContact O-N 2.63Å; K649-S651 VanDerWaalsContact C-N 3.35Å; S651-R667 PolarHBondContact O-NH2 3.13Å; S651-R667 VanDerWaalsContact O-NH2 3.11Å
652P92.4Very high94.5Very high109 Ų10965 Ų6571%0.70833%0.334SS*.PPolyproline II helixtrans-68.8159.9177.531.3-35.6000111.1F645F645-P652 WeakPolarHBondContact CD2-O 3.21Å
653F94.4Very high94.4Very high84 Ų8465 Ų6537%0.36833%0.334SS..PPolyproline II helixtrans-64.8129173.4-169.2-91.7000110F645 T656 K660 L663F645-F653 HydrophobicContact CD2-CB 4.29Å; F645-F653 HydrophobicContact CD2-CD2 4.18Å; F645-F653 HydrophobicContact CE1-CD2 4.24Å; F645-F653 HydrophobicContact CE2-CB 4.03Å; F645-F653 AromaticContact CE2-CD2 3.67Å; F645-F653 HydrophobicContact CE2-CD2 3.67Å; F645-F653 HydrophobicContact CE2-CG 4.33Å; F645-F653 AromaticContact CZ-CD2 3.71Å; F645-F653 HydrophobicContact CZ-CD2 3.71Å; F645-F653 HydrophobicContact CZ-CE2 4.33Å; F653-T656 HydrophobicContact CE1-CG2 4.38Å; F653-T656 HydrophobicContact CZ-CG2 4.38Å; F653-K660 HydrophobicContact CD2-CG 4.13Å; F653-K660 HydrophobicContact CE2-CB 3.85Å; F653-K660 HydrophobicContact CE2-CG 3.66Å; F653-K660 HydrophobicContact CZ-CB 3.85Å; F653-K660 HydrophobicContact CZ-CG 4.14Å; F653-L663 HydrophobicContact CE2-CB 4.21Å; F653-L663 HydrophobicContact CE2-CD1 3.76Å; F653-L663 HydrophobicContact CE2-CG 4.44Å; F653-L663 HydrophobicContact CZ-CD1 3.96Å
654P94.5Very high94.2Very high14 Ų1469.2 Ų69.29%0.09136%0.355CS..PPolyproline II helixtrans-79.7161.2-174.734.2-36.8000111.5E641 V642 F645 T656 L663E641-P654 HydrophobicContact CB-CB 3.72Å; V642-P654 HydrophobicContact CG2-CB 4.33Å; V642-P654 HydrophobicContact CG2-CG 3.84Å; F645-P654 HydrophobicContact CB-CG 4.35Å; P654-T656 HydrophobicContact CG-CG2 3.99Å; P654-T656 PolarHBondContact O-N 3.4Å; P654-L663 HydrophobicContact CG-CD1 4.02Å
655K93.9Very high94.1Very high218 Ų21871.8 Ų71.895%0.94836%0.362SS*.SBendtrans-77.4104.7167.9-174.1-178.3179.1-175.80108.5
656T94.6Very high94.1Very high35 Ų3571.3 Ų71.322%0.21536%0.36CS..  trans-151.5156.5-177.7-176.10000110.6V642 F653 P654 I658 L663V642-T656 HydrophobicContact CG2-CG2 4.31Å; F653-T656 HydrophobicContact CE1-CG2 4.38Å; F653-T656 HydrophobicContact CZ-CG2 4.38Å; P654-T656 HydrophobicContact CG-CG2 3.99Å; P654-T656 PolarHBondContact O-N 3.4Å; T656-I658 HydrophobicContact CG2-CB 3.98Å; T656-I658 HydrophobicContact CG2-CG1 4.5Å; T656-I658 WeakPolarHBondContact OG1-CG1 3.47Å; T656-I658 PolarHBondContact OG1-N 3.43Å; T656-L663 HydrophobicContact CG2-CD1 3.91Å
657D93.4Very high94Very high149 Ų14973.9 Ų73.980%0.79737%0.37SS*.SBendtrans-82.2-3.6174-56.8-35.8000112.2
658I95.8Very high93.9Very high6 Ų677.9 Ų77.93%0.03139%0.385CS..SBendtrans-70.9129.4176.7-58.3167.5000109.6I633 Q637 M638 V642 T656 K660 H662 L663I633-I658 HydrophobicContact CD1-CG2 3.83Å; I633-I658 HydrophobicContact CG1-CD1 4.46Å; I633-I658 HydrophobicContact CG1-CG1 4.39Å; I633-I658 HydrophobicContact CG1-CG2 3.88Å; I633-I658 HydrophobicContact CG2-CD1 3.69Å; I633-I658 HydrophobicContact CG2-CG1 4.17Å; Q637-I658 HydrophobicContact CB-CD1 3.92Å; Q637-I658 HydrophobicContact CB-CG1 4.1Å; M638-I658 HydrophobicContact SD-CD1 4.32Å; V642-I658 HydrophobicContact CG1-CD1 4.13Å; V642-I658 HydrophobicContact CG2-CD1 4.38Å; T656-I658 HydrophobicContact CG2-CB 3.98Å; T656-I658 HydrophobicContact CG2-CG1 4.5Å; T656-I658 WeakPolarHBondContact OG1-CG1 3.47Å; T656-I658 PolarHBondContact OG1-N 3.43Å; I658-K660 PolarHBondContact O-N 3.2Å; I658-H662 HydrophobicContact CG2-CB 4.04Å; I658-L663 HydrophobicContact CB-CD2 4.36Å; I658-L663 HydrophobicContact CB-CG 4.26Å; I658-L663 HydrophobicContact CD1-CD2 4.09Å; I658-L663 HydrophobicContact CG2-CD2 3.76Å; I658-L663 HydrophobicContact CG2-CG 3.76Å
659P96Very high93.9Very high68 Ų6876.9 Ų76.944%0.44238%0.38SS..  trans-54.8136.6175.5-26.835.1000112.7E661 H662 L663P659-E661 PolarHBondContact O-N 3.02Å; P659-H662 WeakPolarHBondContact O-CB 3.42Å; P659-H662 PolarHBondContact O-N 2.91Å; P659-L663 PolarHBondContact O-N 3.17Å
660K94Very high94.3Very high126 Ų12669.6 Ų69.655%0.54835%0.349SS..Hα-helixtrans-55-39.1-178.7-179.6175.5179.7-177.40112.9F653 I658 H662 L663 Q664F653-K660 HydrophobicContact CD2-CG 4.13Å; F653-K660 HydrophobicContact CE2-CB 3.85Å; F653-K660 HydrophobicContact CE2-CG 3.66Å; F653-K660 HydrophobicContact CZ-CB 3.85Å; F653-K660 HydrophobicContact CZ-CG 4.14Å; I658-K660 PolarHBondContact O-N 3.2Å; K660-H662 VanDerWaalsContact C-N 3.3Å; K660-H662 PolarHBondContact O-N 2.85Å; K660-L663 PolarHBondContact O-N 3.15Å; K660-Q664 HydrophobicContact CG-CG 4.31Å; K660-Q664 WeakPolarHBondContact O-CB 3.23Å; K660-Q664 VanDerWaalsContact O-CG 3.28Å; K660-Q664 WeakPolarHBondContact O-CG 3.28Å; K660-Q664 PolarHBondContact O-N 3.3Å
661E94.5Very high94.6Very high148 Ų14866.1 Ų66.169%0.69232%0.319SS*.Hα-helixtrans-61.6-37178.8-63.1179.7-17700112.3P659 Q664 R665P659-E661 PolarHBondContact O-N 3.02Å; E661-Q664 PolarHBondContact O-N 3.02Å; E661-R665 WeakPolarHBondContact O-CB 3.16Å; E661-R665 PolarHBondContact O-N 2.98Å
662H95.9Very high94.7Very high54 Ų5466.2 Ų66.225%0.2532%0.316CS..Hα-helixtrans-68.2-46.2179.6-66.6-170.6000110.8L631 I633 I658 P659 K660 Q664 R665 L666L631-H662 HydrophobicContact CD1-CB 4.09Å; L631-H662 PolarHBondContact O-CE1 3.3Å; L631-H662 PolarHBondContact O-ND1 2.99Å; I633-H662 HydrophobicContact CD1-CB 4.34Å; I658-H662 HydrophobicContact CG2-CB 4.04Å; P659-H662 WeakPolarHBondContact O-CB 3.42Å; P659-H662 PolarHBondContact O-N 2.91Å; K660-H662 VanDerWaalsContact C-N 3.3Å; K660-H662 PolarHBondContact O-N 2.85Å; H662-Q664 VanDerWaalsContact C-N 3.34Å; H662-Q664 PolarHBondContact O-N 2.98Å; H662-R665 WeakPolarHBondContact O-CB 3.47Å; H662-R665 PolarHBondContact O-N 3.17Å; H662-L666 WeakPolarHBondContact O-CG 3.49Å; H662-L666 PolarHBondContact O-N 2.92Å
663L95.4Very high94.9Very high0 Ų061 Ų610%028%0.283CS..Hα-helixtrans-65.7-37175.6-66.4-169.6000112.4V642 F645 I646 F653 P654 T656 I658 P659 K660 R665 L666 R667V642-L663 HydrophobicContact CG1-CD1 4.42Å; V642-L663 HydrophobicContact CG1-CD2 3.72Å; F645-L663 HydrophobicContact CD1-CB 3.83Å; F645-L663 HydrophobicContact CD1-CD1 4.23Å; F645-L663 HydrophobicContact CE1-CB 3.63Å; I646-L663 HydrophobicContact CD1-CD2 4.33Å; F653-L663 HydrophobicContact CE2-CB 4.21Å; F653-L663 HydrophobicContact CE2-CD1 3.76Å; F653-L663 HydrophobicContact CE2-CG 4.44Å; F653-L663 HydrophobicContact CZ-CD1 3.96Å; P654-L663 HydrophobicContact CG-CD1 4.02Å; T656-L663 HydrophobicContact CG2-CD1 3.91Å; I658-L663 HydrophobicContact CB-CD2 4.36Å; I658-L663 HydrophobicContact CB-CG 4.26Å; I658-L663 HydrophobicContact CD1-CD2 4.09Å; I658-L663 HydrophobicContact CG2-CD2 3.76Å; I658-L663 HydrophobicContact CG2-CG 3.76Å; P659-L663 PolarHBondContact O-N 3.17Å; K660-L663 PolarHBondContact O-N 3.15Å; L663-R665 VanDerWaalsContact C-N 3.32Å; L663-L666 HydrophobicContact CD2-CD1 4.05Å; L663-L666 PolarHBondContact O-N 3.47Å; L663-R667 WeakPolarHBondContact O-CB 3.43Å; L663-R667 PolarHBondContact O-N 3.49Å
664Q94.1Very high94.9Very high90 Ų9057 Ų5742%0.42127%0.265SS..Hα-helixtrans-64.3-37.2174.2-76177.7-34.500111.9F645 K660 E661 H662 R668F645-Q664 HydrophobicContact CZ-CG 4.43Å; K660-Q664 HydrophobicContact CG-CG 4.31Å; K660-Q664 WeakPolarHBondContact O-CB 3.23Å; K660-Q664 VanDerWaalsContact O-CG 3.28Å; K660-Q664 WeakPolarHBondContact O-CG 3.28Å; K660-Q664 PolarHBondContact O-N 3.3Å; E661-Q664 PolarHBondContact O-N 3.02Å; H662-Q664 VanDerWaalsContact C-N 3.34Å; H662-Q664 PolarHBondContact O-N 2.98Å; Q664-R668 WeakPolarHBondContact O-CB 3.33Å; Q664-R668 PolarHBondContact O-N 2.89Å
665R94.9Very high95Very high80 Ų8057 Ų5730%0.30227%0.265SS..Hα-helixtrans-64-46.6173.9-174178.2180175.10.3111.6D33 L617 E661 H662 L663 R667 R668 E669D33-R665 IonicContact OD2-NH2 2.82Å; D33-R665 PolarHBondContact OD2-NH2 3.49Å; L617-R665 HydrophobicContact CD1-CG 3.85Å; E661-R665 WeakPolarHBondContact O-CB 3.16Å; E661-R665 PolarHBondContact O-N 2.98Å; H662-R665 WeakPolarHBondContact O-CB 3.47Å; H662-R665 PolarHBondContact O-N 3.17Å; L663-R665 VanDerWaalsContact C-N 3.32Å; R665-R667 PolarHBondContact O-N 3.15Å; R665-R668 WeakPolarHBondContact O-CB 3.27Å; R665-R668 PolarHBondContact O-N 3.23Å; R665-E669 PolarHBondContact O-N 2.98Å
666L96.4Very high95.2Very high0 Ų046.6 Ų46.60%022%0.22CC..Hα-helixtrans-59.8-46.1176.8-67.2168.7000111.8V614 L617 L618 L631 I633 I646 H662 L663 R668 E669 F670V614-L666 HydrophobicContact CB-CD2 3.73Å; V614-L666 HydrophobicContact CG1-CB 3.98Å; V614-L666 HydrophobicContact CG1-CD2 3.73Å; V614-L666 HydrophobicContact CG1-CG 4.46Å; L617-L666 HydrophobicContact CB-CD2 3.69Å; L617-L666 HydrophobicContact CD1-CD2 3.93Å; L617-L666 HydrophobicContact CG-CD2 4.44Å; L618-L666 HydrophobicContact CD2-CD1 4.21Å; L618-L666 HydrophobicContact CD2-CD2 4.27Å; L618-L666 HydrophobicContact CG-CD2 4.3Å; L631-L666 HydrophobicContact CD1-CD1 4.48Å; L631-L666 HydrophobicContact CD1-CD2 4.17Å; L631-L666 HydrophobicContact CD1-CG 4.11Å; I633-L666 HydrophobicContact CD1-CD1 3.78Å; I646-L666 HydrophobicContact CD1-CB 4.1Å; I646-L666 HydrophobicContact CD1-CD1 3.79Å; I646-L666 HydrophobicContact CG1-CB 4.02Å; I646-L666 HydrophobicContact CG1-CD1 4.47Å; I646-L666 HydrophobicContact CG2-CB 4.17Å; H662-L666 WeakPolarHBondContact O-CG 3.49Å; H662-L666 PolarHBondContact O-N 2.92Å; L663-L666 HydrophobicContact CD2-CD1 4.05Å; L663-L666 PolarHBondContact O-N 3.47Å; L666-R668 VanDerWaalsContact C-N 3.32Å; L666-R668 PolarHBondContact O-N 3.42Å; L666-E669 PolarHBondContact O-N 3.27Å; L666-F670 PolarHBondContact O-N 3.27Å
667R95.3Very high95.4Very high53 Ų5346.3 Ų46.320%0.222%0.217CC..Hα-helixtrans-59.7-42.7174.5179.9-175.5-80-169.3-14111.4F645 S651 L663 R665 F670 E671F645-R667 VanDerWaalsContact CD2-CZ 3.49Å; F645-R667 VanDerWaalsContact CE2-NH1 3.32Å; F645-R667 VanDerWaalsContact CZ-CZ 3.43Å; F645-R667 PolarHBondContact O-NE 2.96Å; F645-R667 PolarHBondContact O-NH2 3.32Å; S651-R667 PolarHBondContact O-NH2 3.13Å; S651-R667 VanDerWaalsContact O-NH2 3.11Å; L663-R667 WeakPolarHBondContact O-CB 3.43Å; L663-R667 PolarHBondContact O-N 3.49Å; R665-R667 PolarHBondContact O-N 3.15Å; R667-F670 PolarHBondContact O-N 3.12Å; R667-E671 HydrophobicContact CG-CG 4.1Å; R667-E671 WeakPolarHBondContact O-CB 3.25Å; R667-E671 WeakPolarHBondContact O-CG 3.47Å; R667-E671 PolarHBondContact O-N 2.62Å
668R93.5Very high95.6Very high85 Ų8539.6 Ų39.632%0.32118%0.182SC..Hα-helixtrans-62.1-43.3179.2-176.4176.169.4-143.9-0.5112.1P35 Q664 R665 L666 E671 Y672P35-R668 WeakPolarHBondContact O-CD 3.29Å; P35-R668 PolarHBondContact O-NE 3.07Å; Q664-R668 WeakPolarHBondContact O-CB 3.33Å; Q664-R668 PolarHBondContact O-N 2.89Å; R665-R668 WeakPolarHBondContact O-CB 3.27Å; R665-R668 PolarHBondContact O-N 3.23Å; L666-R668 VanDerWaalsContact C-N 3.32Å; L666-R668 PolarHBondContact O-N 3.42Å; R668-E671 PolarHBondContact O-N 3.18Å; R668-Y672 VanDerWaalsContact O-CB 3.26Å; R668-Y672 WeakPolarHBondContact O-CB 3.41Å; R668-Y672 PolarHBondContact O-N 3.09Å
669E95.5Very high95.7Very high1 Ų139.3 Ų39.31%0.00518%0.18CC..Hα-helixtrans-57.8-50.8175-73.1-72.8147.500111.3A34 R204 T613 H616 L617 R665 L666 Y672 W673A34-E669 HydrophobicContact CB-CG 4.31Å; A34-E669 WeakPolarHBondContact CB-OE1 3.36Å; A34-E669 PolarHBondContact N-OE1 3.45Å; A34-E669 PolarHBondContact N-OE2 3.32Å; R204-E669 IonicContact CZ-OE2 2.76Å; R204-E669 IonicContact NH1-OE2 3.74Å; R204-E669 IonicContact NH2-OE2 3.7Å; R204-E669 PolarHBondContact NH2-OE2 2.97Å; T613-E669 WeakPolarHBondContact O-CB 3.29Å; H616-E669 IonicContact CE1-OE2 3.38Å; H616-E669 PolarHBondContact CE1-OE2 3.3Å; H616-E669 IonicContact NE2-OE1 3.92Å; H616-E669 IonicContact NE2-OE2 2.72Å; L617-E669 HydrophobicContact CD1-CG 3.87Å; R665-E669 PolarHBondContact O-N 2.98Å; L666-E669 PolarHBondContact O-N 3.27Å; E669-Y672 PolarHBondContact O-N 2.81Å; E669-W673 WeakPolarHBondContact O-CB 3.35Å; E669-W673 PolarHBondContact O-N 3Å; E669-W673 PolarHBondContact OE2-NE1 3.45Å
670F96.4Very high95.8Very high0 Ų036.1 Ų36.10%016%0.159CC..Hα-helixtrans-60.4-51.4177.7171.4-106.8000111.9A610 T613 F647 L666 R667 Y672 W673 Y674 W701 K707A610-F670 HydrophobicContact CB-CD2 4.21Å; A610-F670 HydrophobicContact CB-CE2 3.9Å; T613-F670 HydrophobicContact CG2-CD2 4.41Å; T613-F670 WeakPolarHBondContact OG1-CA 3.34Å; F647-F670 HydrophobicContact CB-CE1 4.38Å; F647-F670 HydrophobicContact CD1-CB 4.1Å; F647-F670 AromaticContact CD1-CD1 3.83Å; F647-F670 HydrophobicContact CD1-CD1 3.83Å; F647-F670 AromaticContact CD1-CD2 3.46Å; F647-F670 HydrophobicContact CD1-CD2 3.46Å; F647-F670 VanDerWaalsContact CD1-CD2 3.46Å; F647-F670 HydrophobicContact CD1-CE1 4.09Å; F647-F670 AromaticContact CD1-CE2 3.74Å; F647-F670 HydrophobicContact CD1-CE2 3.74Å; F647-F670 AromaticContact CD1-CG 3.5Å; F647-F670 HydrophobicContact CD1-CG 3.5Å; F647-F670 VanDerWaalsContact CD1-CG 3.5Å; F647-F670 HydrophobicContact CD1-CZ 4.05Å; F647-F670 HydrophobicContact CE1-CB 4.11Å; F647-F670 AromaticContact CE1-CD2 3.66Å; F647-F670 HydrophobicContact CE1-CD2 3.66Å; F647-F670 HydrophobicContact CE1-CE2 4.23Å; F647-F670 AromaticContact CE1-CG 3.88Å; F647-F670 HydrophobicContact CE1-CG 3.88Å; F647-F670 WeakPolarHBondContact O-CE1 3.24Å; L666-F670 PolarHBondContact O-N 3.27Å; R667-F670 PolarHBondContact O-N 3.12Å; F670-Y672 VanDerWaalsContact C-N 3.26Å; F670-Y672 PolarHBondContact O-N 2.77Å; F670-W673 PolarHBondContact O-N 3.28Å; F670-Y674 AromaticContact CD2-CD2 3.93Å; F670-Y674 HydrophobicContact CD2-CD2 3.93Å; F670-Y674 AromaticContact CD2-CG 3.99Å; F670-Y674 HydrophobicContact CD2-CG 3.99Å; F670-Y674 AromaticContact CE2-CD1 3.65Å; F670-Y674 HydrophobicContact CE2-CD1 3.65Å; F670-Y674 AromaticContact CE2-CD2 3.63Å; F670-Y674 HydrophobicContact CE2-CD2 3.63Å; F670-Y674 HydrophobicContact CE2-CE1 4.08Å; F670-Y674 HydrophobicContact CE2-CE2 4.06Å; F670-Y674 AromaticContact CE2-CG 3.39Å; F670-Y674 HydrophobicContact CE2-CG 3.39Å; F670-Y674 AromaticContact CZ-CD1 3.96Å; F670-Y674 HydrophobicContact CZ-CD1 3.96Å; F670-Y674 AromaticContact CZ-CG 4Å; F670-Y674 HydrophobicContact CZ-CG 4Å; F670-Y674 WeakPolarHBondContact O-CB 2.99Å; F670-Y674 PolarHBondContact O-N 3.35Å; F670-W701 AromaticContact CE2-CZ2 3.97Å; F670-W701 HydrophobicContact CE2-CZ2 3.97Å; F670-W701 AromaticContact CZ-CE2 3.77Å; F670-W701 AromaticContact CZ-CZ2 3.62Å; F670-W701 HydrophobicContact CZ-CZ2 3.62Å; F670-W701 AromaticContact CZ-NE1 3.72Å; F670-K707 HydrophobicContact CE1-CD 4.37Å; F670-K707 HydrophobicContact CZ-CD 4.22Å
671E94.1Very high95.9Very high45 Ų4530.3 Ų30.321%0.2114%0.135CC..Hα-helixtrans-62.4-32.8-176-75.3-65.7162.100113.2R667 R668 K707R667-E671 HydrophobicContact CG-CG 4.1Å; R667-E671 WeakPolarHBondContact O-CB 3.25Å; R667-E671 WeakPolarHBondContact O-CG 3.47Å; R667-E671 PolarHBondContact O-N 2.62Å; R668-E671 PolarHBondContact O-N 3.18Å; E671-K707 PolarHBondContact O-NZ 3.16Å; E671-K707 WeakPolarHBondContact OE2-CE 3.36Å; E671-K707 IonicContact OE2-NZ 3.5Å; E671-K707 PolarHBondContact OE2-NZ 3.34Å
672Y93.8Very high95.8Very high25 Ų2523.5 Ų23.510%0.09810%0.104CC..Hα-helixtrans-74.9-47.4176.4175.7-99.2000112.4A34 P35 K46 N84 R668 E669 F670A34-Y672 HydrophobicContact CB-CD1 3.71Å; A34-Y672 HydrophobicContact CB-CG 3.86Å; P35-Y672 VanDerWaalsContact CD-CE2 3.48Å; P35-Y672 VanDerWaalsContact CD-CZ 3.48Å; P35-Y672 HydrophobicContact CG-CD2 4.4Å; P35-Y672 HydrophobicContact CG-CE2 3.81Å; K46-Y672 HydrophobicContact CB-CE1 3.95Å; K46-Y672 HydrophobicContact CB-CE2 4.42Å; N84-Y672 WeakPolarHBondContact CB-OH 3.35Å; N84-Y672 PolarHBondContact ND2-OH 3.43Å; N84-Y672 VanDerWaalsContact ND2-OH 3.15Å; R668-Y672 VanDerWaalsContact O-CB 3.26Å; R668-Y672 WeakPolarHBondContact O-CB 3.41Å; R668-Y672 PolarHBondContact O-N 3.09Å; E669-Y672 PolarHBondContact O-N 2.81Å; F670-Y672 VanDerWaalsContact C-N 3.26Å; F670-Y672 PolarHBondContact O-N 2.77Å
673W95.8Very high95.5Very high0 Ų023.7 Ų23.70%010%0.104CC..Hα-helixtrans-78.5-33.6-174-71.1118.5000113.4N32 K46 F48 N84 L86 T613 E669 F670N32-W673 HydrophobicContact CB-CH2 4.16Å; N32-W673 HydrophobicContact CB-CZ2 4.03Å; K46-W673 HydrophobicContact CB-CE3 4.21Å; K46-W673 HydrophobicContact CB-CZ3 4.14Å; K46-W673 HydrophobicContact CD-CE3 4.49Å; K46-W673 WeakPolarHBondContact CD-O 3.41Å; K46-W673 VanDerWaalsContact CE-O 3.26Å; K46-W673 WeakPolarHBondContact CE-O 3.44Å; K46-W673 PolarHBondContact NZ-O 2.83Å; F48-W673 HydrophobicContact CB-CE3 4.4Å; F48-W673 HydrophobicContact CD1-CB 4.3Å; F48-W673 WeakPolarHBondContact CD1-O 3.41Å; N84-W673 HydrophobicContact CB-CH2 4.5Å; N84-W673 WeakPolarHBondContact O-CZ3 3.31Å; L86-W673 HydrophobicContact CB-CD2 3.83Å; L86-W673 HydrophobicContact CB-CE3 3.44Å; L86-W673 VanDerWaalsContact CB-CE3 3.44Å; L86-W673 HydrophobicContact CB-CH2 3.58Å; L86-W673 HydrophobicContact CB-CZ2 3.96Å; L86-W673 HydrophobicContact CB-CZ3 3.31Å; L86-W673 HydrophobicContact CD2-CB 4.12Å; L86-W673 HydrophobicContact CD2-CD2 3.49Å; L86-W673 VanDerWaalsContact CD2-CD2 3.49Å; L86-W673 HydrophobicContact CD2-CE3 3.94Å; L86-W673 HydrophobicContact CD2-CG 3.56Å; L86-W673 HydrophobicContact CD2-CZ2 4.43Å; L86-W673 HydrophobicContact CG-CD2 4.26Å; L86-W673 HydrophobicContact CG-CE3 4.31Å; T613-W673 HydrophobicContact CG2-CB 3.85Å; E669-W673 WeakPolarHBondContact O-CB 3.35Å; E669-W673 PolarHBondContact O-N 3Å; E669-W673 PolarHBondContact OE2-NE1 3.45Å; F670-W673 PolarHBondContact O-N 3.28Å
674Y95.6Very high94.9Very high0 Ų026.9 Ų26.90%012%0.121CC..PPolyproline II helixtrans-81.9138.9-179-115.1-114.9000112.4F48 M609 A610 T613 F670 V676 H697 W701 K707F48-Y674 HydrophobicContact CD1-CD2 4.25Å; F48-Y674 AromaticContact CE1-CD2 3.83Å; F48-Y674 HydrophobicContact CE1-CD2 3.83Å; F48-Y674 AromaticContact CE1-CE2 3.77Å; F48-Y674 HydrophobicContact CE1-CE2 3.77Å; M609-Y674 HydrophobicContact CB-CE2 4.18Å; A610-Y674 HydrophobicContact CB-CE2 4.05Å; A610-Y674 PolarHBondContact N-OH 2.76Å; T613-Y674 HydrophobicContact CG2-CD2 4.08Å; T613-Y674 HydrophobicContact CG2-CE2 4.48Å; F670-Y674 AromaticContact CD2-CD2 3.93Å; F670-Y674 HydrophobicContact CD2-CD2 3.93Å; F670-Y674 AromaticContact CD2-CG 3.99Å; F670-Y674 HydrophobicContact CD2-CG 3.99Å; F670-Y674 AromaticContact CE2-CD1 3.65Å; F670-Y674 HydrophobicContact CE2-CD1 3.65Å; F670-Y674 AromaticContact CE2-CD2 3.63Å; F670-Y674 HydrophobicContact CE2-CD2 3.63Å; F670-Y674 HydrophobicContact CE2-CE1 4.08Å; F670-Y674 HydrophobicContact CE2-CE2 4.06Å; F670-Y674 AromaticContact CE2-CG 3.39Å; F670-Y674 HydrophobicContact CE2-CG 3.39Å; F670-Y674 AromaticContact CZ-CD1 3.96Å; F670-Y674 HydrophobicContact CZ-CD1 3.96Å; F670-Y674 AromaticContact CZ-CG 4Å; F670-Y674 HydrophobicContact CZ-CG 4Å; F670-Y674 WeakPolarHBondContact O-CB 2.99Å; F670-Y674 PolarHBondContact O-N 3.35Å; Y674-V676 HydrophobicContact CE2-CG2 3.97Å; Y674-H697 AromaticContact CE1-NE2 3.89Å; Y674-H697 AromaticContact CZ-NE2 3.89Å; Y674-H697 PolarHBondContact OH-NE2 3.42Å; Y674-H697 VanDerWaalsContact OH-NE2 3.1Å; Y674-W701 HydrophobicContact CE1-CH2 4.26Å; Y674-W701 HydrophobicContact CE1-CZ3 4.27Å; Y674-K707 HydrophobicContact CD1-CB 4.29Å; Y674-K707 HydrophobicContact CD1-CD 4.24Å; Y674-K707 PolarHBondContact O-NZ 2.97Å
675P96.3Very high94.6Very high14 Ų1424.3 Ų24.39%0.09111%0.11CC..SBendcis-81.5173.719.231.1-35.1000114.7K46 D677 G706 W708 Q710K46-P675 PolarHBondContact NZ-O 2.97Å; P675-D677 PolarHBondContact O-N 3.11Å; P675-G706 WeakPolarHBondContact CB-O 3.25Å; P675-G706 WeakPolarHBondContact CD-O 3.35Å; P675-G706 WeakPolarHBondContact CG-O 3.47Å; P675-W708 WeakPolarHBondContact CB-O 3.31Å; P675-Q710 HydrophobicContact CB-CG 4.08Å; P675-Q710 HydrophobicContact CG-CG 3.65Å
676V98.1Very high94.4Very high0 Ų020.6 Ų20.60%010%0.096CC..PPolyproline II helixtrans-71.9119.2167-179.90000108.7F48 T50 M609 Y674 R679 Y693 Q710F48-V676 HydrophobicContact CD1-CG2 4.2Å; F48-V676 HydrophobicContact CE1-CG2 3.94Å; T50-V676 HydrophobicContact CG2-CG1 4.26Å; M609-V676 HydrophobicContact CB-CG2 3.71Å; M609-V676 HydrophobicContact CG-CG2 4.08Å; Y674-V676 HydrophobicContact CE2-CG2 3.97Å; V676-R679 HydrophobicContact CG1-CB 4.37Å; V676-Y693 WeakPolarHBondContact CB-OH 3.47Å; V676-Q710 PolarHBondContact O-N 3.21Å
677D97.9Very high93.9Very high29 Ų2923.2 Ų23.216%0.15511%0.113CC..  trans-74.5-48.4-177.5-63-51.1000111K46 Y47 F48 P675 A711K46-D677 WeakPolarHBondContact CD-OD2 3.27Å; K46-D677 WeakPolarHBondContact CE-OD2 3.32Å; K46-D677 IonicContact NZ-OD1 2.72Å; K46-D677 PolarHBondContact NZ-OD1 2.97Å; K46-D677 IonicContact NZ-OD2 3.65Å; K46-D677 PolarHBondContact NZ-OD2 3.3Å; Y47-D677 VanDerWaalsContact CA-OD2 3.29Å; Y47-D677 WeakPolarHBondContact CA-OD2 3.28Å; Y47-D677 HydrophobicContact CD2-CB 4.1Å; Y47-D677 HydrophobicContact CE2-CB 4.12Å; F48-D677 PolarHBondContact N-OD2 2.94Å; F48-D677 WeakPolarHBondContact O-CB 3.22Å; F48-D677 PolarHBondContact O-N 3.35Å; P675-D677 PolarHBondContact O-N 3.11Å; D677-A711 VanDerWaalsContact O-CB 3.26Å; D677-A711 WeakPolarHBondContact O-CB 3.38Å; D677-A711 PolarHBondContact O-N 2.74Å
678V98.3Very high93.5Very high8 Ų822.6 Ų22.65%0.04811%0.114CC..EExtended strand (participates in β ladder)trans-139.5133.4178.9-172.80000111.1Y47 F48 V49 T50 V680 A711 M823Y47-V678 HydrophobicContact CE2-CG2 4.14Å; Y47-V678 VanDerWaalsContact OH-CG2 3.27Å; Y47-V678 WeakPolarHBondContact OH-CG2 3.47Å; F48-V678 PolarHBondContact O-N 2.8Å; V49-V678 CarbonylContact C-O 3.5Å; V49-V678 VanDerWaalsContact CA-O 3.27Å; V49-V678 WeakPolarHBondContact CA-O 3.24Å; V49-V678 HydrophobicContact CG1-CB 4.1Å; T50-V678 PolarHBondContact N-O 3.3Å; V678-V680 HydrophobicContact CG1-CG2 4.05Å; V678-A711 WeakPolarHBondContact CA-O 3.27Å; V678-A711 HydrophobicContact CG2-CB 4.23Å; V678-M823 HydrophobicContact CB-CE 4.3Å; V678-M823 HydrophobicContact CG1-CE 3.92Å; V678-M823 HydrophobicContact CG1-SD 4.25Å; V678-M823 HydrophobicContact CG2-CE 3.79Å
679R98.6Very high93.3Very high0 Ų018.8 Ų18.80%010%0.1CC..EExtended strand (participates in β ladder)trans-120.3121168.8-172157.3177.279.3-5.4110.4T50 Y608 V676 H689 L690 A711 V712 R713T50-R679 WeakPolarHBondContact O-CA 3.34Å; T50-R679 WeakPolarHBondContact OG1-CG 3.37Å; T50-R679 PolarHBondContact OG1-NH1 3.02Å; Y608-R679 VanDerWaalsContact CE1-NH2 3.31Å; Y608-R679 VanDerWaalsContact OH-CZ 3.31Å; Y608-R679 PolarHBondContact OH-NH1 2.9Å; Y608-R679 PolarHBondContact OH-NH2 3.38Å; V676-R679 HydrophobicContact CG1-CB 4.37Å; R679-H689 PolarHBondContact NH2-CE1 3.45Å; R679-H689 PolarHBondContact NH2-NE2 2.97Å; R679-L690 HydrophobicContact CG-CD2 4.38Å; R679-A711 PolarHBondContact N-O 3.45Å; R679-V712 HydrophobicContact CB-CG2 4.38Å; R679-V712 CarbonylContact O-C 3.56Å; R679-V712 VanDerWaalsContact O-CA 3.31Å; R679-V712 WeakPolarHBondContact O-CA 3.47Å; R679-R713 PolarHBondContact O-N 3.17Å
680V98.1Very high93.3Very high1 Ų118.8 Ų18.81%0.00610%0.1CC..EExtended strand (participates in β ladder)trans-104.6135.8-178.7-1750000110.4T50 P52 S67 K70 C71 V678 R713T50-V680 PolarHBondContact O-N 3.08Å; P52-V680 WeakPolarHBondContact CD-O 3.05Å; S67-V680 WeakPolarHBondContact O-CG1 3.08Å; K70-V680 HydrophobicContact CB-CB 4.48Å; K70-V680 HydrophobicContact CB-CG1 3.83Å; K70-V680 HydrophobicContact CB-CG2 4.09Å; K70-V680 HydrophobicContact CG-CG1 4.08Å; C71-V680 VanDerWaalsContact SG-CB 3.59Å; C71-V680 WeakPolarHBondContact SG-CG2 3.45Å; V678-V680 HydrophobicContact CG1-CG2 4.05Å; V680-R713 WeakPolarHBondContact CA-O 3.3Å; V680-R713 HydrophobicContact CG2-CB 4.24Å
681S95.4Very high93.3Very high4 Ų418.8 Ų18.83%0.02810%0.1CC..EExtended strand (participates in β ladder)trans-152.7167.8174.9-163.50000113.5L685 R713 A714 N715S681-L685 WeakPolarHBondContact OG-CD1 3.31Å; S681-L685 WeakPolarHBondContact OG-CG 3.37Å; S681-R713 PolarHBondContact N-O 3.18Å; S681-A714 CarbonylContact O-C 3.3Å; S681-A714 VanDerWaalsContact O-CA 3.27Å; S681-A714 WeakPolarHBondContact O-CA 3.32Å; S681-N715 PolarHBondContact O-N 3.3Å; S681-N715 PolarHBondContact O-OD1 2.86Å; S681-N715 VanDerWaalsContact O-OD1 3.07Å
682G91.9Very high93.4Very high5 Ų517.4 Ų17.45%0.0529%0.093CC..EExtended strand (participates in β ladder)trans-65.7150.9163.300000111.6D684 L685 N715G682-D684 VanDerWaalsContact C-OD1 3.3Å; G682-D684 WeakPolarHBondContact CA-OD1 3.04Å; G682-D684 PolarHBondContact O-N 3.2Å; G682-D684 VanDerWaalsContact O-N 3.09Å; G682-L685 PolarHBondContact O-N 2.9Å; G682-N715 CarbonylContact C-O 3.52Å; G682-N715 WeakPolarHBondContact CA-O 3.32Å
683K91Very high93.6Very high58 Ų5816.2 Ų16.225%0.2529%0.088SC..G310 helixtrans-58.7-19.9178.464.5-176.5167.9-157.50114.3L685 V686 N715 V758 D760K683-L685 VanDerWaalsContact C-N 3.25Å; K683-L685 PolarHBondContact O-N 3.03Å; K683-V686 PolarHBondContact O-N 3.5Å; K683-N715 PolarHBondContact N-O 3.26Å; K683-V758 HydrophobicContact CB-CG1 4.06Å; K683-V758 HydrophobicContact CD-CG1 3.98Å; K683-V758 WeakPolarHBondContact CD-O 3.49Å; K683-V758 PolarHBondContact NZ-O 2.84Å; K683-D760 VanDerWaalsContact CE-OD1 3.31Å; K683-D760 WeakPolarHBondContact CE-OD1 3.42Å; K683-D760 IonicContact NZ-OD1 3Å; K683-D760 PolarHBondContact NZ-OD1 2.9Å
684D81.6Confident93.7Very high67 Ų6716.2 Ų16.236%0.3589%0.088SC..G310 helixtrans-66.6-22.8177.760.5-57.4000114G682 P687 N688 H717G682-D684 VanDerWaalsContact C-OD1 3.3Å; G682-D684 WeakPolarHBondContact CA-OD1 3.04Å; G682-D684 PolarHBondContact O-N 3.2Å; G682-D684 VanDerWaalsContact O-N 3.09Å; D684-P687 WeakPolarHBondContact O-CD 3.32Å; D684-N688 PolarHBondContact O-ND2 2.77Å; D684-H717 IonicContact OD1-CE1 3.02Å; D684-H717 PolarHBondContact OD1-CE1 3.41Å
685L88.2Confident93.8Very high36 Ų3616.2 Ų16.219%0.1889%0.088CC..G310 helixtrans-88.3-8.7178.2-63.6-161.6000114P52 S681 G682 K683 N688 H689 L690P52-L685 HydrophobicContact CB-CD1 3.9Å; P52-L685 HydrophobicContact CG-CD1 4.03Å; S681-L685 WeakPolarHBondContact OG-CD1 3.31Å; S681-L685 WeakPolarHBondContact OG-CG 3.37Å; G682-L685 PolarHBondContact O-N 2.9Å; K683-L685 VanDerWaalsContact C-N 3.25Å; K683-L685 PolarHBondContact O-N 3.03Å; L685-N688 WeakPolarHBondContact CA-OD1 3.49Å; L685-N688 PolarHBondContact O-N 3.43Å; L685-N688 PolarHBondContact O-OD1 2.91Å; L685-H689 HydrophobicContact CB-CB 4.2Å; L685-H689 HydrophobicContact CD1-CB 4.36Å; L685-H689 HydrophobicContact CD2-CB 4.38Å; L685-H689 PolarHBondContact O-N 3.28Å; L685-L690 HydrophobicContact CB-CD1 4.22Å; L685-L690 HydrophobicContact CB-CG 4.09Å; L685-L690 WeakPolarHBondContact O-CB 3.35Å; L685-L690 WeakPolarHBondContact O-CG 3.35Å; L685-L690 PolarHBondContact O-N 3.28Å
686V91.6Very high93.9Very high2 Ų215.6 Ų15.61%0.0128%0.084CC..Iπ-helixtrans-60.1-49.5178.9178.30000111.5T565 N568 F569 K683 N688 L690 S691 A714T565-V686 HydrophobicContact CG2-CG2 4.3Å; N568-V686 HydrophobicContact CB-CG1 3.8Å; F569-V686 HydrophobicContact CD1-CG1 4.02Å; F569-V686 HydrophobicContact CD2-CG1 3.95Å; F569-V686 HydrophobicContact CE1-CG1 4.07Å; F569-V686 HydrophobicContact CE2-CG1 4Å; F569-V686 HydrophobicContact CG-CG1 3.96Å; F569-V686 HydrophobicContact CZ-CG1 4.06Å; K683-V686 PolarHBondContact O-N 3.5Å; V686-N688 PolarHBondContact O-N 3.03Å; V686-N688 VanDerWaalsContact O-N 3.13Å; V686-L690 HydrophobicContact CB-CD1 4.47Å; V686-L690 HydrophobicContact CG2-CD1 3.8Å; V686-S691 PolarHBondContact O-OG 3.33Å; V686-A714 HydrophobicContact CG2-CB 4.09Å
687P85.6Confident93.9Very high55 Ų5515.6 Ų15.636%0.3578%0.084SC..Iπ-helixtrans-75.6-0.4-174.7-16.933.8000115.4T572 D684T572-P687 HydrophobicContact CG2-CB 4.36Å; T572-P687 WeakPolarHBondContact CG2-O 3.37Å; T572-P687 WeakPolarHBondContact OG1-CA 3.25Å; D684-P687 WeakPolarHBondContact O-CD 3.32Å
688N85.5Confident93.8Very high39 Ų3914.2 Ų14.221%0.2098%0.077CC..Iπ-helixtrans-136.6-100.3-175.94868.9000110.4L602 D684 L685 V686 L690 S691 Y692L602-N688 HydrophobicContact CD1-CB 4.44Å; D684-N688 PolarHBondContact O-ND2 2.77Å; L685-N688 WeakPolarHBondContact CA-OD1 3.49Å; L685-N688 PolarHBondContact O-N 3.43Å; L685-N688 PolarHBondContact O-OD1 2.91Å; V686-N688 PolarHBondContact O-N 3.03Å; V686-N688 VanDerWaalsContact O-N 3.13Å; N688-L690 VanDerWaalsContact C-N 3.35Å; N688-L690 PolarHBondContact O-N 2.92Å; N688-S691 CarbonylContact O-C 3.46Å; N688-S691 WeakPolarHBondContact O-CA 3.46Å; N688-S691 WeakPolarHBondContact O-CB 3.48Å; N688-S691 PolarHBondContact O-N 3.39Å; N688-Y692 HydrophobicContact CB-CE2 4.15Å; N688-Y692 VanDerWaalsContact O-CD1 3.24Å; N688-Y692 WeakPolarHBondContact O-CD1 3.44Å; N688-Y692 PolarHBondContact O-N 3.29Å
689H90.4Very high93.8Very high6 Ų614 Ų143%0.0288%0.076CC..Iπ-helixtrans-44.7-49.2-177172.168.5000114.5L602 S605 R679 L685 S691 Y692 Y693L602-H689 HydrophobicContact CD2-CB 4.18Å; S605-H689 PolarHBondContact O-CE1 3.22Å; R679-H689 PolarHBondContact NH2-CE1 3.45Å; R679-H689 PolarHBondContact NH2-NE2 2.97Å; L685-H689 HydrophobicContact CB-CB 4.2Å; L685-H689 HydrophobicContact CD1-CB 4.36Å; L685-H689 HydrophobicContact CD2-CB 4.38Å; L685-H689 PolarHBondContact O-N 3.28Å; H689-S691 VanDerWaalsContact C-N 3.33Å; H689-S691 PolarHBondContact O-N 3.2Å; H689-Y692 PolarHBondContact O-N 3.45Å; H689-Y693 WeakPolarHBondContact O-CB 3.43Å; H689-Y693 PolarHBondContact O-N 3.45Å
690L95.9Very high93.7Very high0 Ų014 Ų140%08%0.076CC..Iπ-helixtrans-71.2-30.4-178.7-63.4172.9000112.2F569 R679 L685 V686 N688 Y693 L694 V712F569-L690 HydrophobicContact CE1-CB 3.69Å; F569-L690 HydrophobicContact CZ-CB 3.69Å; F569-L690 HydrophobicContact CZ-CD1 4.27Å; R679-L690 HydrophobicContact CG-CD2 4.38Å; L685-L690 HydrophobicContact CB-CD1 4.22Å; L685-L690 HydrophobicContact CB-CG 4.09Å; L685-L690 WeakPolarHBondContact O-CB 3.35Å; L685-L690 WeakPolarHBondContact O-CG 3.35Å; L685-L690 PolarHBondContact O-N 3.28Å; V686-L690 HydrophobicContact CB-CD1 4.47Å; V686-L690 HydrophobicContact CG2-CD1 3.8Å; N688-L690 VanDerWaalsContact C-N 3.35Å; N688-L690 PolarHBondContact O-N 2.92Å; L690-Y693 WeakPolarHBondContact O-CB 3.47Å; L690-L694 PolarHBondContact O-N 3.18Å; L690-V712 HydrophobicContact CD1-CG1 3.81Å; L690-V712 HydrophobicContact CD2-CG1 4.24Å
691S95.6Very high93.7Very high0 Ų014.6 Ų14.60%08%0.078CC..Hα-helixtrans-69.6-43.8171.6-66.50000110.4T572 V686 N688 H689 Y693 L694 Y695T572-S691 WeakPolarHBondContact CG2-OG 3.29Å; V686-S691 PolarHBondContact O-OG 3.33Å; N688-S691 CarbonylContact O-C 3.46Å; N688-S691 WeakPolarHBondContact O-CA 3.46Å; N688-S691 WeakPolarHBondContact O-CB 3.48Å; N688-S691 PolarHBondContact O-N 3.39Å; H689-S691 VanDerWaalsContact C-N 3.33Å; H689-S691 PolarHBondContact O-N 3.2Å; S691-Y693 VanDerWaalsContact C-N 3.31Å; S691-Y693 PolarHBondContact O-N 3.33Å; S691-L694 PolarHBondContact O-N 3.36Å; S691-Y695 WeakPolarHBondContact O-CD2 3.49Å; S691-Y695 PolarHBondContact O-N 2.93Å; S691-Y695 VanDerWaalsContact O-N 3.08Å
692Y95.8Very high93.6Very high16 Ų1617 Ų176%0.0639%0.094CC..Hα-helixtrans-64.8-36.8177.5-56-12.5000111.8Y542 L576 H579 L602 N688 H689 L694 Y695 N696Y542-Y692 HydrophobicContact CD2-CD1 4.14Å; Y542-Y692 HydrophobicContact CD2-CE1 4.17Å; Y542-Y692 AromaticContact CE2-CD1 3.43Å; Y542-Y692 HydrophobicContact CE2-CD1 3.43Å; Y542-Y692 VanDerWaalsContact CE2-CD1 3.43Å; Y542-Y692 AromaticContact CE2-CE1 3.7Å; Y542-Y692 HydrophobicContact CE2-CE1 3.7Å; Y542-Y692 AromaticContact CE2-CG 3.95Å; Y542-Y692 HydrophobicContact CE2-CG 3.95Å; Y542-Y692 AromaticContact CZ-CD1 3.8Å; Y542-Y692 AromaticContact CZ-CG 3.99Å; Y542-Y692 WeakPolarHBondContact OH-CB 3.27Å; L576-Y692 HydrophobicContact CD1-CE1 3.85Å; L576-Y692 HydrophobicContact CD2-CD1 4.01Å; L576-Y692 HydrophobicContact CD2-CE1 3.73Å; L576-Y692 HydrophobicContact CG-CE1 4.44Å; H579-Y692 AromaticContact CE1-CE2 3.96Å; H579-Y692 AromaticContact ND1-CZ 3.9Å; H579-Y692 PolarHBondContact ND1-OH 3.39Å; H579-Y692 AromaticContact NE2-CE2 3.93Å; L602-Y692 HydrophobicContact CB-CD2 4.12Å; L602-Y692 HydrophobicContact CB-CE2 3.97Å; L602-Y692 HydrophobicContact CD1-CE2 4.43Å; L602-Y692 WeakPolarHBondContact O-CD2 3.43Å; N688-Y692 HydrophobicContact CB-CE2 4.15Å; N688-Y692 VanDerWaalsContact O-CD1 3.24Å; N688-Y692 WeakPolarHBondContact O-CD1 3.44Å; N688-Y692 PolarHBondContact O-N 3.29Å; H689-Y692 PolarHBondContact O-N 3.45Å; Y692-L694 PolarHBondContact O-N 3.09Å; Y692-Y695 PolarHBondContact O-N 3.03Å; Y692-N696 WeakPolarHBondContact O-CB 3.46Å; Y692-N696 PolarHBondContact O-N 3.24Å; Y692-N696 PolarHBondContact O-ND2 2.87Å
693Y98Very high93.6Very high0 Ų026.8 Ų26.80%014%0.135CC..Hα-helixtrans-54.2-49.6171.5162.9-108000111.2T606 M609 V676 H689 L690 S691 H697 P709 V712T606-Y693 WeakPolarHBondContact O-CD2 3.38Å; M609-Y693 HydrophobicContact CE-CD2 3.72Å; M609-Y693 HydrophobicContact CE-CE2 3.85Å; M609-Y693 HydrophobicContact SD-CD2 4.04Å; M609-Y693 HydrophobicContact SD-CE2 3.81Å; V676-Y693 WeakPolarHBondContact CB-OH 3.47Å; H689-Y693 WeakPolarHBondContact O-CB 3.43Å; H689-Y693 PolarHBondContact O-N 3.45Å; L690-Y693 WeakPolarHBondContact O-CB 3.47Å; S691-Y693 VanDerWaalsContact C-N 3.31Å; S691-Y693 PolarHBondContact O-N 3.33Å; Y693-H697 AromaticContact CD2-CE1 3.16Å; Y693-H697 WeakPolarHBondContact CD2-CE1 3.49Å; Y693-H697 AromaticContact CD2-ND1 3.45Å; Y693-H697 WeakPolarHBondContact CD2-ND1 3.47Å; Y693-H697 AromaticContact CE2-CE1 3.04Å; Y693-H697 WeakPolarHBondContact CE2-CE1 3.34Å; Y693-H697 AromaticContact CE2-ND1 3.62Å; Y693-H697 AromaticContact CE2-NE2 3.51Å; Y693-H697 WeakPolarHBondContact O-CB 3.45Å; Y693-H697 PolarHBondContact O-N 3.48Å; Y693-H697 PolarHBondContact O-ND1 3.03Å; Y693-P709 HydrophobicContact CD1-CB 4.45Å; Y693-P709 HydrophobicContact CD1-CG 4.02Å; Y693-P709 HydrophobicContact CE1-CB 3.37Å; Y693-P709 HydrophobicContact CE1-CG 3.21Å; Y693-P709 HydrophobicContact CE2-CG 3.88Å; Y693-P709 VanDerWaalsContact CZ-CB 3.49Å; Y693-P709 WeakPolarHBondContact OH-CB 3.38Å; Y693-P709 WeakPolarHBondContact OH-CG 3.48Å; Y693-V712 HydrophobicContact CE1-CG2 4.12Å
694L97.5Very high93.6Very high1 Ų126.7 Ų26.71%0.00514%0.137CC..Hα-helixtrans-63.4-49.4176.3-65.9176000112L555 L558 F569 L690 S691 Y692 N696 H697 V698 P709L555-L694 HydrophobicContact CD1-CD1 4.26Å; L558-L694 HydrophobicContact CD1-CD2 4.37Å; L558-L694 HydrophobicContact CD2-CD1 4.07Å; L558-L694 HydrophobicContact CD2-CD2 4.06Å; F569-L694 HydrophobicContact CD1-CD1 4.1Å; F569-L694 HydrophobicContact CE1-CD1 4.03Å; L690-L694 PolarHBondContact O-N 3.18Å; S691-L694 PolarHBondContact O-N 3.36Å; Y692-L694 PolarHBondContact O-N 3.09Å; L694-N696 VanDerWaalsContact C-N 3.34Å; L694-N696 PolarHBondContact O-N 3.3Å; L694-H697 PolarHBondContact O-N 2.93Å; L694-V698 VanDerWaalsContact O-CG2 3.31Å; L694-V698 WeakPolarHBondContact O-CG2 3.48Å; L694-V698 PolarHBondContact O-N 3.37Å; L694-V698 VanDerWaalsContact O-N 3.13Å; L694-P709 HydrophobicContact CD2-CB 4.1Å; L694-P709 HydrophobicContact CD2-CG 4.02Å
695Y97.6Very high94.1Very high0 Ų027.2 Ų27.20%015%0.146CC..Hα-helixtrans-54.3-50.1178.1-89.5-80.2000111.6Y542 W547 K548 A551 L573 L576 S691 Y692 V698 A699Y542-Y695 AromaticContact CD1-CD1 3.58Å; Y542-Y695 HydrophobicContact CD1-CD1 3.58Å; Y542-Y695 AromaticContact CD1-CD2 3.9Å; Y542-Y695 HydrophobicContact CD1-CD2 3.9Å; Y542-Y695 HydrophobicContact CD1-CE1 4.15Å; Y542-Y695 HydrophobicContact CD1-CE2 4.42Å; Y542-Y695 AromaticContact CD1-CG 3.46Å; Y542-Y695 HydrophobicContact CD1-CG 3.46Å; Y542-Y695 VanDerWaalsContact CD1-CG 3.46Å; Y542-Y695 HydrophobicContact CE1-CD1 4.31Å; Y542-Y695 HydrophobicContact CE1-CD2 4.33Å; Y542-Y695 AromaticContact CE1-CG 3.84Å; Y542-Y695 HydrophobicContact CE1-CG 3.84Å; Y542-Y695 HydrophobicContact CG-CD1 4.32Å; Y542-Y695 HydrophobicContact CG-CD2 4.25Å; Y542-Y695 HydrophobicContact CG-CE1 4.5Å; Y542-Y695 HydrophobicContact CG-CE2 4.41Å; Y542-Y695 HydrophobicContact CG-CG 4.22Å; Y542-Y695 PolarHBondContact O-OH 3.04Å; W547-Y695 HydrophobicContact CB-CE1 4.42Å; W547-Y695 AromaticContact CD1-CD1 3.65Å; W547-Y695 AromaticContact CD2-CD1 3.68Å; W547-Y695 HydrophobicContact CD2-CD1 3.68Å; W547-Y695 HydrophobicContact CD2-CE1 4.31Å; W547-Y695 AromaticContact CE2-CD1 3.62Å; W547-Y695 HydrophobicContact CE3-CD1 4.35Å; W547-Y695 AromaticContact CG-CD1 3.72Å; W547-Y695 HydrophobicContact CG-CD1 3.72Å; W547-Y695 HydrophobicContact CG-CE1 4.09Å; W547-Y695 HydrophobicContact CZ2-CD1 4.27Å; W547-Y695 AromaticContact NE1-CD1 3.57Å; W547-Y695 PolarHBondContact NE1-O 2.93Å; K548-Y695 HydrophobicContact CB-CE1 4.32Å; K548-Y695 WeakPolarHBondContact CB-OH 3.23Å; K548-Y695 WeakPolarHBondContact CG-OH 3.33Å; A551-Y695 HydrophobicContact CB-CD1 3.89Å; A551-Y695 HydrophobicContact CB-CD2 4.31Å; A551-Y695 HydrophobicContact CB-CE1 3.85Å; A551-Y695 HydrophobicContact CB-CE2 4.28Å; A551-Y695 HydrophobicContact CB-CG 4.12Å; L573-Y695 HydrophobicContact CD2-CD2 3.9Å; L573-Y695 HydrophobicContact CD2-CE2 3.22Å; L576-Y695 HydrophobicContact CD2-CD2 4.09Å; L576-Y695 HydrophobicContact CD2-CE2 3.63Å; S691-Y695 WeakPolarHBondContact O-CD2 3.49Å; S691-Y695 PolarHBondContact O-N 2.93Å; S691-Y695 VanDerWaalsContact O-N 3.08Å; Y692-Y695 PolarHBondContact O-N 3.03Å; Y695-V698 PolarHBondContact O-N 3.25Å; Y695-A699 WeakPolarHBondContact O-CB 3.43Å; Y695-A699 PolarHBondContact O-N 3.42Å
696N98.2Very high94.2Very high0 Ų027.2 Ų27.20%016%0.155CC..Hα-helixtrans-70.4-36.1-176-77.2-87.3000112.8H222 L226 Y542 T606 I607 Y692 L694 V698 A699 M700H222-N696 PolarHBondContact NE2-OD1 2.82Å; H222-N696 VanDerWaalsContact NE2-OD1 3.15Å; L226-N696 WeakPolarHBondContact CD1-OD1 3.43Å; Y542-N696 PolarHBondContact OH-ND2 3.48Å; Y542-N696 VanDerWaalsContact OH-ND2 3.09Å; T606-N696 VanDerWaalsContact OG1-CG 3.28Å; I607-N696 HydrophobicContact CG2-CB 3.75Å; Y692-N696 WeakPolarHBondContact O-CB 3.46Å; Y692-N696 PolarHBondContact O-N 3.24Å; Y692-N696 PolarHBondContact O-ND2 2.87Å; L694-N696 VanDerWaalsContact C-N 3.34Å; L694-N696 PolarHBondContact O-N 3.3Å; N696-V698 VanDerWaalsContact C-N 3.32Å; N696-V698 PolarHBondContact O-N 3.27Å; N696-A699 PolarHBondContact O-N 3.27Å; N696-M700 WeakPolarHBondContact O-CB 3.39Å; N696-M700 WeakPolarHBondContact O-CG 3.5Å; N696-M700 PolarHBondContact O-N 3.06Å
697H98.3Very high94.4Very high0 Ų027.8 Ų27.80%016%0.157CC..Hα-helixtrans-60.9-44.5174.5-81.366.7000111.6T606 Y674 Y693 L694 A699 M700 W701 P709T606-H697 PolarHBondContact O-CE1 2.88Å; T606-H697 VanDerWaalsContact O-CE1 3.25Å; Y674-H697 AromaticContact CE1-NE2 3.89Å; Y674-H697 AromaticContact CZ-NE2 3.89Å; Y674-H697 PolarHBondContact OH-NE2 3.42Å; Y674-H697 VanDerWaalsContact OH-NE2 3.1Å; Y693-H697 AromaticContact CD2-CE1 3.16Å; Y693-H697 WeakPolarHBondContact CD2-CE1 3.49Å; Y693-H697 AromaticContact CD2-ND1 3.45Å; Y693-H697 WeakPolarHBondContact CD2-ND1 3.47Å; Y693-H697 AromaticContact CE2-CE1 3.04Å; Y693-H697 WeakPolarHBondContact CE2-CE1 3.34Å; Y693-H697 AromaticContact CE2-ND1 3.62Å; Y693-H697 AromaticContact CE2-NE2 3.51Å; Y693-H697 WeakPolarHBondContact O-CB 3.45Å; Y693-H697 PolarHBondContact O-N 3.48Å; Y693-H697 PolarHBondContact O-ND1 3.03Å; L694-H697 PolarHBondContact O-N 2.93Å; H697-A699 VanDerWaalsContact C-N 3.35Å; H697-M700 PolarHBondContact O-N 3.43Å; H697-W701 AromaticContact CD2-CZ3 4Å; H697-W701 PolarHBondContact O-N 3.08Å; H697-P709 HydrophobicContact CB-CG 4.18Å
698V97.5Very high94.9Very high0 Ų026.6 Ų26.60%015%0.145CC..Hα-helixtrans-69-35.9178.4178.60000111.2Q550 A554 L694 Y695 N696 P702 W708Q550-V698 HydrophobicContact CB-CG1 3.31Å; Q550-V698 HydrophobicContact CG-CG1 4.35Å; A554-V698 HydrophobicContact CB-CG2 3.56Å; L694-V698 VanDerWaalsContact O-CG2 3.31Å; L694-V698 WeakPolarHBondContact O-CG2 3.48Å; L694-V698 PolarHBondContact O-N 3.37Å; L694-V698 VanDerWaalsContact O-N 3.13Å; Y695-V698 PolarHBondContact O-N 3.25Å; N696-V698 VanDerWaalsContact C-N 3.32Å; N696-V698 PolarHBondContact O-N 3.27Å; V698-P702 WeakPolarHBondContact O-CA 3.3Å; V698-P702 WeakPolarHBondContact O-CB 3.46Å; V698-W708 HydrophobicContact CG1-CZ2 4Å; V698-W708 HydrophobicContact CG2-CD2 4.02Å; V698-W708 HydrophobicContact CG2-CE3 4.47Å; V698-W708 HydrophobicContact CG2-CG 4.38Å; V698-W708 HydrophobicContact CG2-CZ2 4.23Å
699A97.3Very high95.5Very high4 Ų424.9 Ų24.93%0.03314%0.136CC..Hα-helixtrans-67.5-33.9174.500000113.4L226 R229 K231 W547 Y695 N696 H697L226-A699 HydrophobicContact CD2-CB 3.85Å; R229-A699 WeakPolarHBondContact CD-O 3.47Å; R229-A699 PolarHBondContact NH1-O 2.98Å; K231-A699 HydrophobicContact CG-CB 4.41Å; W547-A699 HydrophobicContact CZ2-CB 3.55Å; Y695-A699 WeakPolarHBondContact O-CB 3.43Å; Y695-A699 PolarHBondContact O-N 3.42Å; N696-A699 PolarHBondContact O-N 3.27Å; H697-A699 VanDerWaalsContact C-N 3.35Å
700M97.6Very high95.9Very high1 Ų128.5 Ų28.51%0.00515%0.153CC..Hα-helixtrans-83.8-42.1-177.1-69.6-58.7-7400112.2W221 T225 L226 R229 I607 F648 N696 H697 P702W221-M700 HydrophobicContact CD2-CE 4.41Å; W221-M700 HydrophobicContact CE3-CE 4.19Å; W221-M700 HydrophobicContact CH2-CE 3.21Å; W221-M700 HydrophobicContact CZ2-CE 3.45Å; W221-M700 VanDerWaalsContact CZ2-CE 3.45Å; W221-M700 HydrophobicContact CZ3-CE 3.61Å; T225-M700 HydrophobicContact CG2-CE 3.9Å; T225-M700 HydrophobicContact CG2-SD 3.72Å; L226-M700 HydrophobicContact CD2-SD 4.46Å; R229-M700 PolarHBondContact NH1-O 2.89Å; I607-M700 HydrophobicContact CD1-CE 3.98Å; I607-M700 HydrophobicContact CD1-CG 4.02Å; I607-M700 HydrophobicContact CG2-CG 4.32Å; F648-M700 WeakPolarHBondContact CE1-O 3.35Å; F648-M700 HydrophobicContact CZ-CE 3.97Å; N696-M700 WeakPolarHBondContact O-CB 3.39Å; N696-M700 WeakPolarHBondContact O-CG 3.5Å; N696-M700 PolarHBondContact O-N 3.06Å; H697-M700 PolarHBondContact O-N 3.43Å; M700-P702 WeakPolarHBondContact O-CD 3.37Å
701W96.7Very high96Very high12 Ų1228.9 Ų28.95%0.04516%0.157CC..SBendtrans-118.461.6177.5-58.8-85.9000112I607 A610 F647 F648 F670 Y674 H697 K703 D704 K707 W708I607-W701 HydrophobicContact CG2-CZ3 4.32Å; A610-W701 HydrophobicContact CB-CH2 4.05Å; A610-W701 HydrophobicContact CB-CZ2 4.39Å; F647-W701 HydrophobicContact CB-CZ2 4.26Å; F647-W701 PolarHBondContact O-NE1 3.04Å; F648-W701 AromaticContact CD1-CD1 3.86Å; F648-W701 AromaticContact CD1-NE1 3.71Å; F648-W701 AromaticContact CE1-CD1 3.99Å; F648-W701 AromaticContact CE1-NE1 3.78Å; F670-W701 AromaticContact CE2-CZ2 3.97Å; F670-W701 HydrophobicContact CE2-CZ2 3.97Å; F670-W701 AromaticContact CZ-CE2 3.77Å; F670-W701 AromaticContact CZ-CZ2 3.62Å; F670-W701 HydrophobicContact CZ-CZ2 3.62Å; F670-W701 AromaticContact CZ-NE1 3.72Å; Y674-W701 HydrophobicContact CE1-CH2 4.26Å; Y674-W701 HydrophobicContact CE1-CZ3 4.27Å; H697-W701 AromaticContact CD2-CZ3 4Å; H697-W701 PolarHBondContact O-N 3.08Å; W701-K703 VanDerWaalsContact C-N 3.27Å; W701-K703 PolarHBondContact O-N 2.93Å; W701-D704 HydrophobicContact CB-CB 4.49Å; W701-D704 PolarHBondContact O-N 3.08Å; W701-K707 HydrophobicContact CB-CB 4Å; W701-K707 HydrophobicContact CD2-CB 4.28Å; W701-K707 HydrophobicContact CG-CB 3.93Å; W701-K707 HydrophobicContact CG-CG 4.33Å; W701-W708 PolarHBondContact O-NE1 3.17Å
702P94.1Very high96.1Very high55 Ų5528.9 Ų28.936%0.35716%0.157SC..THydrogen-bonded Turntrans-67.3-25.8-171.425.9-35.3000113.7V698 M700V698-P702 WeakPolarHBondContact O-CA 3.3Å; V698-P702 WeakPolarHBondContact O-CB 3.46Å; M700-P702 WeakPolarHBondContact O-CD 3.37Å
703K90.4Very high96.2Very high210 Ų21028.4 Ų28.491%0.91316%0.155SC*.THydrogen-bonded Turntrans-99.8-1.3-178-62.3-176.9-179.4-179.90113.6W701W701-K703 VanDerWaalsContact C-N 3.27Å; W701-K703 PolarHBondContact O-N 2.93Å
704D91.8Very high96.2Very high57 Ų5728.7 Ų28.731%0.30516%0.157SC..  trans-128.784.3-176.8-168.9-10.6000109.9W701 G706 K707W701-D704 HydrophobicContact CB-CB 4.49Å; W701-D704 PolarHBondContact O-N 3.08Å; D704-G706 PolarHBondContact O-N 2.98Å; D704-G706 WeakPolarHBondContact OD1-CA 3.4Å; D704-G706 PolarHBondContact OD1-N 2.76Å; D704-K707 HydrophobicContact CB-CG 4.22Å; D704-K707 PolarHBondContact O-N 3.02Å; D704-K707 WeakPolarHBondContact OD2-CG 3.49Å
705S91.8Very high96.1Very high78 Ų7828.7 Ų28.755%0.54516%0.157SC..G310 helixtrans-63.8-16.9175.360.90000112.7K707 W708S705-K707 PolarHBondContact O-N 2.85Å; S705-W708 WeakPolarHBondContact O-CB 3.35Å; S705-W708 PolarHBondContact O-N 3.37Å
706G91.6Very high95.8Very high36 Ų3628.7 Ų28.737%0.37116%0.157SC..G310 helixtrans-68.1-15.5172.500000113.3P675 D704P675-G706 WeakPolarHBondContact CB-O 3.25Å; P675-G706 WeakPolarHBondContact CD-O 3.35Å; P675-G706 WeakPolarHBondContact CG-O 3.47Å; D704-G706 PolarHBondContact O-N 2.98Å; D704-G706 WeakPolarHBondContact OD1-CA 3.4Å; D704-G706 PolarHBondContact OD1-N 2.76Å
707K95Very high95.5Very high13 Ų1332.7 Ų32.76%0.05718%0.176CC..G310 helixtrans-96.9-3.6174-59.5-61.2177-159.80113.3F670 E671 Y674 W701 D704 S705F670-K707 HydrophobicContact CE1-CD 4.37Å; F670-K707 HydrophobicContact CZ-CD 4.22Å; E671-K707 PolarHBondContact O-NZ 3.16Å; E671-K707 WeakPolarHBondContact OE2-CE 3.36Å; E671-K707 IonicContact OE2-NZ 3.5Å; E671-K707 PolarHBondContact OE2-NZ 3.34Å; Y674-K707 HydrophobicContact CD1-CB 4.29Å; Y674-K707 HydrophobicContact CD1-CD 4.24Å; Y674-K707 PolarHBondContact O-NZ 2.97Å; W701-K707 HydrophobicContact CB-CB 4Å; W701-K707 HydrophobicContact CD2-CB 4.28Å; W701-K707 HydrophobicContact CG-CB 3.93Å; W701-K707 HydrophobicContact CG-CG 4.33Å; D704-K707 HydrophobicContact CB-CG 4.22Å; D704-K707 PolarHBondContact O-N 3.02Å; D704-K707 WeakPolarHBondContact OD2-CG 3.49Å; S705-K707 PolarHBondContact O-N 2.85Å
708W97Very high95.4Very high30 Ų3033.2 Ų33.211%0.11418%0.178CC..SBendtrans-74.6152.2178.9-62.2-4.2000111.3A554 P675 V698 W701 S705 Q710A554-W708 HydrophobicContact CB-CD2 4.11Å; A554-W708 HydrophobicContact CB-CE3 3.53Å; A554-W708 HydrophobicContact CB-CZ3 3.94Å; P675-W708 WeakPolarHBondContact CB-O 3.31Å; V698-W708 HydrophobicContact CG1-CZ2 4Å; V698-W708 HydrophobicContact CG2-CD2 4.02Å; V698-W708 HydrophobicContact CG2-CE3 4.47Å; V698-W708 HydrophobicContact CG2-CG 4.38Å; V698-W708 HydrophobicContact CG2-CZ2 4.23Å; W701-W708 PolarHBondContact O-NE1 3.17Å; S705-W708 WeakPolarHBondContact O-CB 3.35Å; S705-W708 PolarHBondContact O-N 3.37Å; W708-Q710 PolarHBondContact O-N 3.15Å; W708-Q710 PolarHBondContact O-NE2 3.35Å
709P97.7Very high95.2Very high3 Ų334.7 Ų34.72%0.01919%0.186CC..  trans-53135.3176.7-32.442.3000113.2L558 Y693 L694 H697L558-P709 HydrophobicContact CD1-CB 3.85Å; L558-P709 VanDerWaalsContact CD1-O 3.31Å; L558-P709 WeakPolarHBondContact CD1-O 3.22Å; Y693-P709 HydrophobicContact CD1-CB 4.45Å; Y693-P709 HydrophobicContact CD1-CG 4.02Å; Y693-P709 HydrophobicContact CE1-CB 3.37Å; Y693-P709 HydrophobicContact CE1-CG 3.21Å; Y693-P709 HydrophobicContact CE2-CG 3.88Å; Y693-P709 VanDerWaalsContact CZ-CB 3.49Å; Y693-P709 WeakPolarHBondContact OH-CB 3.38Å; Y693-P709 WeakPolarHBondContact OH-CG 3.48Å; L694-P709 HydrophobicContact CD2-CB 4.1Å; L694-P709 HydrophobicContact CD2-CG 4.02Å; H697-P709 HydrophobicContact CB-CG 4.18Å
710Q97.7Very high95Very high83 Ų8334.6 Ų34.639%0.38819%0.185SC..  trans-92.3-44.2-177.7-59.8-62.2-62.700112.8E559 P675 V676 W708E559-Q710 PolarHBondContact N-O 2.63Å; P675-Q710 HydrophobicContact CB-CG 4.08Å; P675-Q710 HydrophobicContact CG-CG 3.65Å; V676-Q710 PolarHBondContact O-N 3.21Å; W708-Q710 PolarHBondContact O-N 3.15Å; W708-Q710 PolarHBondContact O-NE2 3.35Å
711A98.1Very high94.8Very high8 Ų837.7 Ų37.77%0.06620%0.201CC..EExtended strand (participates in β ladder)trans-144.2146.417900000113.6E559 F561 D677 V678 R679E559-A711 HydrophobicContact CB-CB 3.82Å; E559-A711 HydrophobicContact CG-CB 4.31Å; E559-A711 CarbonylContact O-C 3.46Å; E559-A711 VanDerWaalsContact O-CA 3.28Å; E559-A711 WeakPolarHBondContact O-CA 3.32Å; F561-A711 HydrophobicContact CE2-CB 3.93Å; D677-A711 VanDerWaalsContact O-CB 3.26Å; D677-A711 WeakPolarHBondContact O-CB 3.38Å; D677-A711 PolarHBondContact O-N 2.74Å; V678-A711 WeakPolarHBondContact CA-O 3.27Å; V678-A711 HydrophobicContact CG2-CB 4.23Å; R679-A711 PolarHBondContact N-O 3.45Å
712V98.5Very high94.6Very high0 Ų041.2 Ų41.20%023%0.228CC..EExtended strand (participates in β ladder)trans-129.9122172.3172.80000109.5L558 E559 T560 F569 R679 L690 Y693L558-V712 HydrophobicContact CD1-CG2 4.12Å; L558-V712 HydrophobicContact CD2-CB 4.21Å; L558-V712 HydrophobicContact CD2-CG2 3.99Å; L558-V712 HydrophobicContact CG-CG2 4.48Å; E559-V712 PolarHBondContact O-N 2.87Å; T560-V712 CarbonylContact C-O 3.5Å; T560-V712 WeakPolarHBondContact CA-O 3.46Å; F569-V712 HydrophobicContact CE2-CG1 4.24Å; F569-V712 HydrophobicContact CZ-CG1 4.08Å; R679-V712 HydrophobicContact CB-CG2 4.38Å; R679-V712 CarbonylContact O-C 3.56Å; R679-V712 VanDerWaalsContact O-CA 3.31Å; R679-V712 WeakPolarHBondContact O-CA 3.47Å; L690-V712 HydrophobicContact CD1-CG1 3.81Å; L690-V712 HydrophobicContact CD2-CG1 4.24Å; Y693-V712 HydrophobicContact CE1-CG2 4.12Å
713R98Very high94.3Very high6 Ų644.1 Ų44.12%0.02324%0.237CC..EExtended strand (participates in β ladder)trans-107.5113.8176.2-169.5-175.1-175.4-63.3-3.3109.9F561 R679 V680 S681 D756 M823F561-R713 HydrophobicContact CB-CG 4.41Å; F561-R713 HydrophobicContact CD1-CG 4.33Å; F561-R713 HydrophobicContact CD2-CB 3.76Å; F561-R713 HydrophobicContact CD2-CG 4.04Å; F561-R713 HydrophobicContact CE2-CB 3.85Å; F561-R713 HydrophobicContact CE2-CG 4.38Å; F561-R713 HydrophobicContact CG-CB 4.26Å; F561-R713 HydrophobicContact CG-CG 4.01Å; F561-R713 HydrophobicContact CZ-CB 4.43Å; R679-R713 PolarHBondContact O-N 3.17Å; V680-R713 WeakPolarHBondContact CA-O 3.3Å; V680-R713 HydrophobicContact CG2-CB 4.24Å; S681-R713 PolarHBondContact N-O 3.18Å; R713-D756 PolarHBondContact NH2-O 3.18Å; R713-D756 IonicContact NH2-OD1 3.88Å; R713-M823 PolarHBondContact NE-O 3.27Å; R713-M823 PolarHBondContact NH2-O 3.43Å
714A96.9Very high94Very high6 Ų640.1 Ų40.15%0.0522%0.219CC..EExtended strand (participates in β ladder)trans-89.6139.8171.900000111T565 S681 V686T565-A714 HydrophobicContact CG2-CB 3.93Å; S681-A714 CarbonylContact O-C 3.3Å; S681-A714 VanDerWaalsContact O-CA 3.27Å; S681-A714 WeakPolarHBondContact O-CA 3.32Å; V686-A714 HydrophobicContact CG2-CB 4.09Å
715N96.1Very high93.6Very high0 Ų039.3 Ų39.30%021%0.214CC..EExtended strand (participates in β ladder)trans-121.3157.9170.257.9-101.1000111.6F66 S67 S681 G682 K683F66-N715 HydrophobicContact CE1-CB 3.93Å; F66-N715 WeakPolarHBondContact CE1-ND2 3.47Å; F66-N715 HydrophobicContact CZ-CB 4.44Å; S67-N715 PolarHBondContact OG-ND2 3.46Å; S681-N715 PolarHBondContact O-N 3.3Å; S681-N715 PolarHBondContact O-OD1 2.86Å; S681-N715 VanDerWaalsContact O-OD1 3.07Å; G682-N715 CarbonylContact C-O 3.52Å; G682-N715 WeakPolarHBondContact CA-O 3.32Å; K683-N715 PolarHBondContact N-O 3.26Å
716G92.1Very high92.7Very high1 Ų136.5 Ų36.51%0.0120%0.195CC..PPolyproline II helixtrans-67.1172.8171.200000113.2T757 V758 E759G716-T757 PolarHBondContact N-O 3.25Å; G716-V758 WeakPolarHBondContact CA-O 3.49Å; G716-V758 PolarHBondContact N-O 2.87Å; G716-E759 WeakPolarHBondContact CA-O 3.37Å
717H91.6Very high91.6Very high84 Ų8440.9 Ų40.939%0.38920%0.203SC..PPolyproline II helixtrans-71.9153.5170.6-67.2-59.9000110D684 D760 A761D684-H717 IonicContact OD1-CE1 3.02Å; D684-H717 PolarHBondContact OD1-CE1 3.41Å; H717-D760 PolarHBondContact N-OD1 3Å; H717-D760 CarbonylContact O-C 3.54Å; H717-D760 VanDerWaalsContact O-CA 3.24Å; H717-D760 WeakPolarHBondContact O-CA 3.44Å; H717-D760 WeakPolarHBondContact O-CB 3.35Å; H717-A761 PolarHBondContact O-N 3.33Å
718L95.6Very high89.9Confident10 Ų1042.1 Ų42.15%0.05221%0.214CC..EExtended strand (participates in β ladder)trans-86.5130.1177-169.970.9000110.5L62 F66 M725 L751 A754 A761 F763L62-L718 HydrophobicContact CB-CD2 3.89Å; L62-L718 HydrophobicContact CD2-CD2 3.82Å; L62-L718 HydrophobicContact CG-CD2 3.58Å; L62-L718 WeakPolarHBondContact O-CD2 3.5Å; F66-L718 HydrophobicContact CB-CB 4.29Å; F66-L718 HydrophobicContact CB-CD1 4.01Å; F66-L718 HydrophobicContact CB-CD2 3.88Å; F66-L718 HydrophobicContact CB-CG 4.28Å; F66-L718 HydrophobicContact CD1-CB 4.28Å; F66-L718 HydrophobicContact CD1-CD1 4.17Å; F66-L718 HydrophobicContact CD2-CD1 3.98Å; F66-L718 HydrophobicContact CG-CB 4.43Å; F66-L718 HydrophobicContact CG-CD1 3.78Å; F66-L718 HydrophobicContact CG-CG 4.48Å; L718-M725 HydrophobicContact CB-CE 3.88Å; L718-M725 HydrophobicContact CD2-CE 4.15Å; L718-M725 HydrophobicContact CD2-SD 4.37Å; L718-M725 HydrophobicContact CG-CE 4.3Å; L718-M725 WeakPolarHBondContact O-CE 3.36Å; L718-L751 HydrophobicContact CD2-CD2 4.35Å; L718-A754 HydrophobicContact CD1-CB 4.18Å; L718-A761 HydrophobicContact CD1-CB 4.08Å; L718-F763 HydrophobicContact CD1-CB 4.11Å; L718-F763 HydrophobicContact CD2-CB 4.2Å; L718-F763 HydrophobicContact CG-CB 4.32Å
719L94.2Very high88.5Confident32 Ų3245.2 Ų45.217%0.16824%0.236CC..EExtended strand (participates in β ladder)trans-95.3152.2165.9-55.2178000109.4E723 K724 D760 A761 F763L719-E723 CarbonylContact C-O 3.55Å; L719-E723 VanDerWaalsContact CA-O 3.28Å; L719-E723 WeakPolarHBondContact CA-O 3.12Å; L719-E723 WeakPolarHBondContact CB-O 2.91Å; L719-K724 HydrophobicContact CD2-CG 3.95Å; L719-D760 HydrophobicContact CD1-CB 4.19Å; L719-D760 HydrophobicContact CG-CB 4.14Å; L719-A761 WeakPolarHBondContact CB-O 3.42Å; L719-A761 PolarHBondContact N-O 2.94Å; L719-F763 PolarHBondContact O-N 3.29Å
720L93.4Very high87.4Confident2 Ų248.2 Ų48.21%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-117114.8173.5179.356.6000108.2L62 S722 E723 M725 N731 L733 F763 E765L62-L720 HydrophobicContact CD2-CD1 4.48Å; L720-S722 VanDerWaalsContact C-N 3.31Å; L720-S722 PolarHBondContact O-N 2.82Å; L720-E723 PolarHBondContact N-O 3.33Å; L720-E723 PolarHBondContact O-N 3.41Å; L720-M725 HydrophobicContact CB-CG 3.52Å; L720-M725 HydrophobicContact CB-SD 4.11Å; L720-M725 HydrophobicContact CD2-CG 4.49Å; L720-N731 WeakPolarHBondContact CD2-OD1 3.14Å; L720-N731 WeakPolarHBondContact CG-OD1 3.44Å; L720-N731 PolarHBondContact O-ND2 3.01Å; L720-L733 HydrophobicContact CD1-CD1 4.09Å; L720-L733 HydrophobicContact CD2-CB 4.28Å; L720-L733 HydrophobicContact CD2-CD1 3.85Å; L720-L733 HydrophobicContact CD2-CG 3.82Å; L720-F763 HydrophobicContact CD1-CB 4.36Å; L720-F763 HydrophobicContact CD1-CD1 3.67Å; L720-F763 HydrophobicContact CD1-CE1 4.49Å; L720-F763 HydrophobicContact CD1-CG 4.44Å; L720-E765 HydrophobicContact CD1-CG 4.15Å
721N93.3Very high86.6Confident65 Ų6545.3 Ų45.335%0.34826%0.255SS..THydrogen-bonded Turntrans52.146.6-173.4-58-47.1000113.1E723 F763 E765N721-E723 PolarHBondContact O-N 3.04Å; N721-F763 PolarHBondContact N-O 2.99Å; N721-E765 PolarHBondContact OD1-N 2.94Å
722S92.1Very high86.1Confident86 Ų8647.2 Ų47.260%0.60126%0.262SS*.THydrogen-bonded Turntrans68.39.4179.8-49.20000115.6L720 N762L720-S722 VanDerWaalsContact C-N 3.31Å; L720-S722 PolarHBondContact O-N 2.82Å; S722-N762 PolarHBondContact N-ND2 3.35Å; S722-N762 PolarHBondContact N-OD1 3.46Å; S722-N762 PolarHBondContact OG-ND2 2.99Å
723E88.4Confident85.6Confident116 Ų11648 Ų4854%0.54227%0.266SS..EExtended strand (participates in β ladder)trans-115.7154.4178.3-75.4-174.4171.700111.8L719 L720 N721 M725 N731L719-E723 CarbonylContact C-O 3.55Å; L719-E723 VanDerWaalsContact CA-O 3.28Å; L719-E723 WeakPolarHBondContact CA-O 3.12Å; L719-E723 WeakPolarHBondContact CB-O 2.91Å; L720-E723 PolarHBondContact N-O 3.33Å; L720-E723 PolarHBondContact O-N 3.41Å; N721-E723 PolarHBondContact O-N 3.04Å; E723-M725 PolarHBondContact O-N 3.41Å; E723-N731 WeakPolarHBondContact CB-ND2 3.43Å; E723-N731 PolarHBondContact OE2-ND2 3.5Å
724K84.1Confident85.4Confident126 Ų12648.4 Ų48.455%0.54827%0.269SS..EExtended strand (participates in β ladder)trans-66.3126.2175.3-72.2-171.5176.3-1750109.6S146 L719 S726S146-K724 VanDerWaalsContact CB-NZ 3.29Å; S146-K724 PolarHBondContact OG-NZ 3.31Å; L719-K724 HydrophobicContact CD2-CG 3.95Å; K724-S726 PolarHBondContact O-N 2.88Å; K724-S726 VanDerWaalsContact O-N 3.15Å
725M81.4Confident85.3Confident40 Ų4048.1 Ų48.120%0.19727%0.267CS..  trans-62.7118.6175.4-71-171.4-57.600110.4L62 L718 L720 E723 N731 F732L62-M725 HydrophobicContact CB-SD 4.11Å; L718-M725 HydrophobicContact CB-CE 3.88Å; L718-M725 HydrophobicContact CD2-CE 4.15Å; L718-M725 HydrophobicContact CD2-SD 4.37Å; L718-M725 HydrophobicContact CG-CE 4.3Å; L718-M725 WeakPolarHBondContact O-CE 3.36Å; L720-M725 HydrophobicContact CB-CG 3.52Å; L720-M725 HydrophobicContact CB-SD 4.11Å; L720-M725 HydrophobicContact CD2-CG 4.49Å; E723-M725 PolarHBondContact O-N 3.41Å; M725-N731 CarbonylContact C-O 3.5Å; M725-N731 VanDerWaalsContact CA-O 3.28Å; M725-N731 WeakPolarHBondContact CA-O 3.06Å; M725-F732 HydrophobicContact CB-CD2 4.43Å
726S73.4Confident85.2Confident19 Ų1949.4 Ų49.413%0.13328%0.276CS..BIsolated β-bridgetrans-144.5136.1177.1-172.60000110.5K724 S728 T729 N731K724-S726 PolarHBondContact O-N 2.88Å; K724-S726 VanDerWaalsContact O-N 3.15Å; S726-S728 PolarHBondContact O-N 3.43Å; S726-S728 PolarHBondContact OG-N 3.19Å; S726-S728 PolarHBondContact OG-OG 3.04Å; S726-T729 PolarHBondContact O-OG1 2.91Å; S726-N731 PolarHBondContact N-O 3.03Å; S726-N731 CarbonylContact O-C 3.57Å; S726-N731 PolarHBondContact O-N 3.29Å
727K68.6Low85.3Confident128 Ų12854.2 Ų54.256%0.55730%0.298SS*.THydrogen-bonded Turntrans-63.6-34173.8-65.4-175.3179.7-175.50111.6T729 G730 F732K727-T729 PolarHBondContact O-N 3.48Å; K727-G730 PolarHBondContact O-N 3.21Å; K727-F732 HydrophobicContact CG-CB 4.37Å; K727-F732 HydrophobicContact CG-CD1 4.07Å; K727-F732 HydrophobicContact CG-CD2 3.91Å; K727-F732 HydrophobicContact CG-CE1 4.29Å; K727-F732 HydrophobicContact CG-CE2 4.13Å; K727-F732 HydrophobicContact CG-CG 3.86Å; K727-F732 HydrophobicContact CG-CZ 4.3Å
728S60.7Low85.5Confident40 Ų4050.2 Ų50.228%0.2828%0.28SS..THydrogen-bonded Turntrans-68.8-31.9-176.651.10000114.1A150 S726 G730A150-S728 WeakPolarHBondContact O-CB 3.47Å; A150-S728 PolarHBondContact O-OG 3.06Å; S726-S728 PolarHBondContact O-N 3.43Å; S726-S728 PolarHBondContact OG-N 3.19Å; S726-S728 PolarHBondContact OG-OG 3.04Å; S728-G730 VanDerWaalsContact C-N 3.28Å
729T67.6Low85.5Confident94 Ų9450.3 Ų50.358%0.57728%0.28SS*.THydrogen-bonded Turntrans-87.3-0.4178.357.90000112.4S726 K727 N731S726-T729 PolarHBondContact O-OG1 2.91Å; K727-T729 PolarHBondContact O-N 3.48Å; T729-N731 PolarHBondContact O-N 3.5Å
730G73Confident85.5Confident67 Ų6752.3 Ų52.369%0.69130%0.296SS*.THydrogen-bonded Turntrans71.3-2.3-170.900000114.2K727 S728 F732K727-G730 PolarHBondContact O-N 3.21Å; S728-G730 VanDerWaalsContact C-N 3.28Å; G730-F732 PolarHBondContact O-N 3Å
731N82.4Confident85.5Confident22 Ų2255.9 Ų55.912%0.11831%0.312CS..BIsolated β-bridgetrans-92.274.9-179.4-167.78.1000110.8L720 E723 M725 S726 T729L720-N731 WeakPolarHBondContact CD2-OD1 3.14Å; L720-N731 WeakPolarHBondContact CG-OD1 3.44Å; L720-N731 PolarHBondContact O-ND2 3.01Å; E723-N731 WeakPolarHBondContact CB-ND2 3.43Å; E723-N731 PolarHBondContact OE2-ND2 3.5Å; M725-N731 CarbonylContact C-O 3.5Å; M725-N731 VanDerWaalsContact CA-O 3.28Å; M725-N731 WeakPolarHBondContact CA-O 3.06Å; S726-N731 PolarHBondContact N-O 3.03Å; S726-N731 CarbonylContact O-C 3.57Å; S726-N731 PolarHBondContact O-N 3.29Å; T729-N731 PolarHBondContact O-N 3.5Å
732F85.9Confident85.6Confident47 Ų4752.8 Ų52.821%0.20630%0.295CS..  trans-148.9139.5-176.9-170.4-94000111.5H61 M725 K727 G730 T734H61-F732 HydrophobicContact CB-CE1 4.02Å; H61-F732 HydrophobicContact CB-CE2 3.94Å; H61-F732 HydrophobicContact CB-CZ 3.39Å; H61-F732 AromaticContact CD2-CZ 3.93Å; H61-F732 AromaticContact CG-CZ 3.96Å; M725-F732 HydrophobicContact CB-CD2 4.43Å; K727-F732 HydrophobicContact CG-CB 4.37Å; K727-F732 HydrophobicContact CG-CD1 4.07Å; K727-F732 HydrophobicContact CG-CD2 3.91Å; K727-F732 HydrophobicContact CG-CE1 4.29Å; K727-F732 HydrophobicContact CG-CE2 4.13Å; K727-F732 HydrophobicContact CG-CG 3.86Å; K727-F732 HydrophobicContact CG-CZ 4.3Å; G730-F732 PolarHBondContact O-N 3Å; F732-T734 HydrophobicContact CE1-CG2 3.97Å
733L88.9Confident85.8Confident16 Ų1648.7 Ų48.78%0.08427%0.267CS..  trans-131.7127.2174.3-75.7174.7000111.2L62 L720 Q737 F742L62-L733 PolarHBondContact N-O 3.31Å; L720-L733 HydrophobicContact CD1-CD1 4.09Å; L720-L733 HydrophobicContact CD2-CB 4.28Å; L720-L733 HydrophobicContact CD2-CD1 3.85Å; L720-L733 HydrophobicContact CD2-CG 3.82Å; L733-Q737 HydrophobicContact CD2-CB 4.22Å; L733-F742 HydrophobicContact CD1-CE2 4.21Å
734T93.3Very high86.3Confident16 Ų1643.1 Ų43.110%0.09824%0.241CC..BIsolated β-bridgetrans-74.9159.9165.463.40000111F732 S736 Q737 A738F732-T734 HydrophobicContact CE1-CG2 3.97Å; T734-S736 PolarHBondContact O-N 3.5Å; T734-Q737 PolarHBondContact O-N 2.95Å; T734-Q737 VanDerWaalsContact OG1-CB 3.29Å; T734-Q737 WeakPolarHBondContact OG1-CB 3.42Å; T734-Q737 WeakPolarHBondContact OG1-CG 3.1Å; T734-Q737 PolarHBondContact OG1-N 3.44Å; T734-Q737 PolarHBondContact OG1-OE1 3.19Å; T734-A738 WeakPolarHBondContact O-CB 3.39Å; T734-A738 PolarHBondContact O-N 3.38Å
735L95.4Very high87Confident0 Ų037.2 Ų37.20%022%0.215CC..Hα-helixtrans-56.4-50174.1169.956.1000111.1L60 T65 D192 L193 M196 Q737 A738 I739 M747L60-L735 HydrophobicContact CB-CB 4.36Å; L60-L735 PolarHBondContact O-N 3.32Å; T65-L735 HydrophobicContact CG2-CB 3.62Å; T65-L735 HydrophobicContact CG2-CD1 3.44Å; T65-L735 VanDerWaalsContact CG2-CD1 3.44Å; T65-L735 HydrophobicContact CG2-CD2 3.95Å; T65-L735 HydrophobicContact CG2-CG 3.83Å; D192-L735 HydrophobicContact CB-CD2 3.84Å; D192-L735 HydrophobicContact CB-CG 4.21Å; L193-L735 HydrophobicContact CD2-CD2 4.02Å; L193-L735 HydrophobicContact CG-CD2 4.4Å; M196-L735 HydrophobicContact CB-CD1 4.3Å; M196-L735 HydrophobicContact CG-CD1 4.45Å; M196-L735 HydrophobicContact SD-CD1 3.95Å; L735-Q737 VanDerWaalsContact C-N 3.34Å; L735-Q737 PolarHBondContact O-N 3.39Å; L735-A738 PolarHBondContact O-N 3.24Å; L735-A738 VanDerWaalsContact O-N 3.09Å; L735-I739 HydrophobicContact CD1-CD1 3.75Å; L735-I739 HydrophobicContact CD1-CG1 3.99Å; L735-I739 HydrophobicContact CG-CD1 4.09Å; L735-I739 WeakPolarHBondContact O-CG1 3.08Å; L735-I739 PolarHBondContact O-N 3.18Å; L735-M747 HydrophobicContact CD1-CE 3.86Å; L735-M747 HydrophobicContact CD1-SD 3.88Å
736S94.3Very high87.7Confident27 Ų2735.3 Ų35.319%0.18921%0.206CC..Hα-helixtrans-58.6-44.2178.8-174.10000111.8T734 A738 S740T734-S736 PolarHBondContact O-N 3.5Å; S736-A738 VanDerWaalsContact C-N 3.34Å; S736-A738 PolarHBondContact O-N 3.16Å; S736-S740 WeakPolarHBondContact O-CA 3.47Å; S736-S740 PolarHBondContact O-N 3.42Å; S736-S740 PolarHBondContact O-OG 3.14Å
737Q93.2Very high88.9Confident102 Ų10234.4 Ų34.448%0.47720%0.199SC..Hα-helixtrans-64.9-35.1175-74163.9-25.800113L733 T734 L735 S740 K741L733-Q737 HydrophobicContact CD2-CB 4.22Å; T734-Q737 PolarHBondContact O-N 2.95Å; T734-Q737 VanDerWaalsContact OG1-CB 3.29Å; T734-Q737 WeakPolarHBondContact OG1-CB 3.42Å; T734-Q737 WeakPolarHBondContact OG1-CG 3.1Å; T734-Q737 PolarHBondContact OG1-N 3.44Å; T734-Q737 PolarHBondContact OG1-OE1 3.19Å; L735-Q737 VanDerWaalsContact C-N 3.34Å; L735-Q737 PolarHBondContact O-N 3.39Å; Q737-S740 CarbonylContact O-C 3.49Å; Q737-S740 VanDerWaalsContact O-C 3.25Å; Q737-S740 WeakPolarHBondContact O-CA 3.23Å; Q737-S740 PolarHBondContact O-N 2.94Å; Q737-K741 VanDerWaalsContact O-CB 3.3Å; Q737-K741 WeakPolarHBondContact O-CB 3.48Å; Q737-K741 PolarHBondContact O-N 3.4Å
738A95.5Very high90.3Very high0 Ų028.3 Ų28.30%017%0.173CC..Hα-helixtrans-69.5-43.6179.200000112L62 T734 L735 S736 S740 K741 F742 M747L62-A738 HydrophobicContact CD1-CB 3.66Å; T734-A738 WeakPolarHBondContact O-CB 3.39Å; T734-A738 PolarHBondContact O-N 3.38Å; L735-A738 PolarHBondContact O-N 3.24Å; L735-A738 VanDerWaalsContact O-N 3.09Å; S736-A738 VanDerWaalsContact C-N 3.34Å; S736-A738 PolarHBondContact O-N 3.16Å; A738-S740 VanDerWaalsContact C-N 3.28Å; A738-S740 PolarHBondContact O-N 3.43Å; A738-K741 PolarHBondContact O-N 3.41Å; A738-F742 WeakPolarHBondContact O-CD2 3.31Å; A738-F742 PolarHBondContact O-N 3.25Å; A738-M747 HydrophobicContact CB-CG 4.21Å; A738-M747 HydrophobicContact CB-SD 3.69Å
739I95.7Very high92.1Very high12 Ų1226.4 Ų26.46%0.06216%0.16CC..Hα-helixtrans-59.8-45.6168.7-61166.9000109.3R14 Q195 M196 L735 K741 F742 S743 M747R14-I739 PolarHBondContact NH2-O 3.39Å; Q195-I739 HydrophobicContact CB-CD1 3.94Å; M196-I739 HydrophobicContact CB-CD1 4.12Å; L735-I739 HydrophobicContact CD1-CD1 3.75Å; L735-I739 HydrophobicContact CD1-CG1 3.99Å; L735-I739 HydrophobicContact CG-CD1 4.09Å; L735-I739 WeakPolarHBondContact O-CG1 3.08Å; L735-I739 PolarHBondContact O-N 3.18Å; I739-K741 PolarHBondContact O-N 2.93Å; I739-K741 VanDerWaalsContact O-N 3.07Å; I739-F742 PolarHBondContact O-N 3.01Å; I739-S743 WeakPolarHBondContact O-CA 3.42Å; I739-S743 PolarHBondContact O-N 3.46Å; I739-M747 HydrophobicContact CG1-CE 4.25Å; I739-M747 HydrophobicContact CG1-SD 4.35Å
740S93.9Very high93.6Very high73 Ų7322 Ų2251%0.5113%0.133SC..Hα-helixtrans-41.9-27.6164.964.90000116.9R14 S736 Q737 A738R14-S740 PolarHBondContact NH2-O 3.43Å; S736-S740 WeakPolarHBondContact O-CA 3.47Å; S736-S740 PolarHBondContact O-N 3.42Å; S736-S740 PolarHBondContact O-OG 3.14Å; Q737-S740 CarbonylContact O-C 3.49Å; Q737-S740 VanDerWaalsContact O-C 3.25Å; Q737-S740 WeakPolarHBondContact O-CA 3.23Å; Q737-S740 PolarHBondContact O-N 2.94Å; A738-S740 VanDerWaalsContact C-N 3.28Å; A738-S740 PolarHBondContact O-N 3.43Å
741K94.2Very high94.7Very high77 Ų7718.9 Ų18.934%0.33510%0.1SC..Hα-helixtrans-116.1-32.6-173.8-168.2171.2173.9-176.40112.8R4 L10 Q737 A738 I739 E765R4-K741 PolarHBondContact NH1-O 2.96Å; L10-K741 WeakPolarHBondContact CD2-O 3.45Å; Q737-K741 VanDerWaalsContact O-CB 3.3Å; Q737-K741 WeakPolarHBondContact O-CB 3.48Å; Q737-K741 PolarHBondContact O-N 3.4Å; A738-K741 PolarHBondContact O-N 3.41Å; I739-K741 PolarHBondContact O-N 2.93Å; I739-K741 VanDerWaalsContact O-N 3.07Å; K741-E765 WeakPolarHBondContact CE-OE2 3.35Å; K741-E765 IonicContact NZ-OE1 3.48Å; K741-E765 PolarHBondContact NZ-OE1 3.46Å; K741-E765 IonicContact NZ-OE2 3.56Å; K741-E765 PolarHBondContact NZ-OE2 3.44Å
742F95.5Very high95.5Very high0 Ų017.8 Ų17.80%010%0.095CC..Hα-helixtrans-127.13.2-168.5-54.4-68000115.3L10 L733 A738 I739 G746 M747 F763 E765 A768 D769 I772L10-F742 VanDerWaalsContact CD1-C 3.46Å; L733-F742 HydrophobicContact CD1-CE2 4.21Å; A738-F742 WeakPolarHBondContact O-CD2 3.31Å; A738-F742 PolarHBondContact O-N 3.25Å; I739-F742 PolarHBondContact O-N 3.01Å; F742-G746 VanDerWaalsContact O-CA 3.29Å; F742-G746 WeakPolarHBondContact O-CA 3.39Å; F742-M747 HydrophobicContact CB-CB 4.32Å; F742-F763 HydrophobicContact CD2-CE1 4.26Å; F742-F763 HydrophobicContact CD2-CZ 4.05Å; F742-F763 AromaticContact CE2-CE1 3.85Å; F742-F763 HydrophobicContact CE2-CE1 3.85Å; F742-F763 HydrophobicContact CE2-CZ 4.12Å; F742-F763 HydrophobicContact CZ-CE1 4.34Å; F742-E765 HydrophobicContact CE1-CB 4.18Å; F742-E765 HydrophobicContact CE2-CG 4.34Å; F742-E765 HydrophobicContact CZ-CB 3.79Å; F742-E765 HydrophobicContact CZ-CG 3.65Å; F742-A768 HydrophobicContact CB-CB 4.48Å; F742-A768 HydrophobicContact CD1-CB 3.72Å; F742-A768 HydrophobicContact CE1-CB 4.07Å; F742-A768 HydrophobicContact CG-CB 4.04Å; F742-D769 WeakPolarHBondContact CE1-OD1 3.28Å; F742-I772 HydrophobicContact CB-CD1 4.11Å; F742-I772 HydrophobicContact CD1-CD1 4.25Å; F742-I772 VanDerWaalsContact O-CD1 3.29Å; F742-I772 WeakPolarHBondContact O-CD1 3.49Å
743S97.3Very high96.1Very high0 Ų017.6 Ų17.60%010%0.096CC..  trans65.3162.1-16574.20000111.6L10 E17 I739 G746 M747L10-S743 VanDerWaalsContact CD1-N 3.31Å; E17-S743 VanDerWaalsContact OE1-CB 3.23Å; E17-S743 WeakPolarHBondContact OE1-CB 3.43Å; E17-S743 PolarHBondContact OE1-OG 3.45Å; E17-S743 WeakPolarHBondContact OE2-CB 3.49Å; I739-S743 WeakPolarHBondContact O-CA 3.42Å; I739-S743 PolarHBondContact O-N 3.46Å; S743-G746 PolarHBondContact OG-N 3.15Å; S743-M747 VanDerWaalsContact O-CB 3.27Å; S743-M747 WeakPolarHBondContact O-CB 3.34Å; S743-M747 PolarHBondContact O-N 2.94Å; S743-M747 VanDerWaalsContact O-N 3.08Å
744A97.6Very high96.4Very high0 Ų017.3 Ų17.30%010%0.096CC..Hα-helixtrans-64.1-47.6178.200000110.9E17 M747 R748E17-A744 VanDerWaalsContact CD-N 3.27Å; E17-A744 HydrophobicContact CG-CB 4.35Å; E17-A744 WeakPolarHBondContact OE1-CA 3.21Å; E17-A744 PolarHBondContact OE1-N 3.5Å; E17-A744 PolarHBondContact OE2-N 3.09Å; A744-M747 PolarHBondContact O-N 3.49Å; A744-R748 WeakPolarHBondContact O-CB 3.38Å; A744-R748 WeakPolarHBondContact O-CD 3.36Å; A744-R748 WeakPolarHBondContact O-CG 3.35Å; A744-R748 PolarHBondContact O-N 3.31Å
745D98.2Very high96.3Very high1 Ų117 Ų171%0.00510%0.096CC..Hα-helixtrans-69-41.3-178.9-80.7-4.9000111.9E17 M747 R748 L749 L775 C871 P872 H873 L874E17-D745 PolarHBondContact OE1-N 3.17Å; D745-M747 PolarHBondContact O-N 3.25Å; D745-R748 PolarHBondContact O-N 3.31Å; D745-L749 WeakPolarHBondContact O-CB 3.48Å; D745-L749 PolarHBondContact O-N 3.41Å; D745-L775 HydrophobicContact CB-CD1 4.38Å; D745-C871 HydrophobicContact CB-CB 3.94Å; D745-C871 WeakPolarHBondContact OD1-CA 3.4Å; D745-P872 WeakPolarHBondContact OD1-CD 3.41Å; D745-H873 IonicContact OD1-CE1 3.95Å; D745-H873 IonicContact OD1-CG 2.64Å; D745-H873 IonicContact OD1-ND1 2.84Å; D745-H873 PolarHBondContact OD1-ND1 3.34Å; D745-H873 PolarHBondContact OD2-N 3.31Å; D745-H873 IonicContact OD2-ND1 2.57Å; D745-L874 VanDerWaalsContact OD2-CB 3.24Å; D745-L874 WeakPolarHBondContact OD2-CB 3.41Å; D745-L874 PolarHBondContact OD2-N 2.72Å
746G97.4Very high96.2Very high0 Ų017.8 Ų17.80%010%0.1CC..Hα-helixtrans-64.2-39.8176.500000113.1F742 S743 A750F742-G746 VanDerWaalsContact O-CA 3.29Å; F742-G746 WeakPolarHBondContact O-CA 3.39Å; S743-G746 PolarHBondContact OG-N 3.15Å; G746-A750 PolarHBondContact O-N 3.32Å
747M98Very high96.1Very high0 Ų020.6 Ų20.60%012%0.116CC..Hα-helixtrans-64.1-47.9172178-160.664.100111.4L62 M196 L735 A738 I739 F742 S743 A744 D745 L749 A750 L751 F763L62-M747 HydrophobicContact CD1-CG 4.16Å; L62-M747 HydrophobicContact CD1-SD 3.97Å; M196-M747 HydrophobicContact CE-CE 3.95Å; M196-M747 HydrophobicContact CG-CE 3.78Å; M196-M747 HydrophobicContact SD-CE 3.86Å; L735-M747 HydrophobicContact CD1-CE 3.86Å; L735-M747 HydrophobicContact CD1-SD 3.88Å; A738-M747 HydrophobicContact CB-CG 4.21Å; A738-M747 HydrophobicContact CB-SD 3.69Å; I739-M747 HydrophobicContact CG1-CE 4.25Å; I739-M747 HydrophobicContact CG1-SD 4.35Å; F742-M747 HydrophobicContact CB-CB 4.32Å; S743-M747 VanDerWaalsContact O-CB 3.27Å; S743-M747 WeakPolarHBondContact O-CB 3.34Å; S743-M747 PolarHBondContact O-N 2.94Å; S743-M747 VanDerWaalsContact O-N 3.08Å; A744-M747 PolarHBondContact O-N 3.49Å; D745-M747 PolarHBondContact O-N 3.25Å; M747-L749 VanDerWaalsContact C-N 3.32Å; M747-L749 PolarHBondContact O-N 3.15Å; M747-A750 PolarHBondContact O-N 2.85Å; M747-L751 HydrophobicContact CE-CD1 4.13Å; M747-L751 HydrophobicContact CG-CD1 3.88Å; M747-L751 HydrophobicContact CG-CG 4.32Å; M747-L751 WeakPolarHBondContact O-CG 3.45Å; M747-L751 PolarHBondContact O-N 3.37Å; M747-L751 HydrophobicContact SD-CD1 4.18Å; M747-F763 HydrophobicContact CG-CE2 4.28Å
748R98.5Very high96.1Very high0 Ų016.4 Ų16.40%010%0.098CC..Hα-helixtrans-61.3-39.3-179.2-74.1166.567.5130.26112.1E72 F73 M196 G197 A744 D745 L751 A752 P869 I870E72-R748 VanDerWaalsContact CG-NH2 3.28Å; E72-R748 IonicContact OE1-CZ 2.76Å; E72-R748 IonicContact OE1-NH1 2.64Å; E72-R748 PolarHBondContact OE1-NH1 2.98Å; E72-R748 IonicContact OE1-NH2 3.88Å; E72-R748 PolarHBondContact OE1-NH2 3.05Å; F73-R748 HydrophobicContact CE1-CB 4.33Å; F73-R748 HydrophobicContact CZ-CB 4.43Å; M196-R748 HydrophobicContact CE-CG 3.9Å; M196-R748 HydrophobicContact CG-CG 4.5Å; M196-R748 PolarHBondContact O-NH1 2.98Å; G197-R748 PolarHBondContact O-NH1 3.26Å; A744-R748 WeakPolarHBondContact O-CB 3.38Å; A744-R748 WeakPolarHBondContact O-CD 3.36Å; A744-R748 WeakPolarHBondContact O-CG 3.35Å; A744-R748 PolarHBondContact O-N 3.31Å; D745-R748 PolarHBondContact O-N 3.31Å; R748-L751 PolarHBondContact O-N 3.47Å; R748-A752 PolarHBondContact O-N 3.24Å; R748-P869 PolarHBondContact NH2-O 3.45Å; R748-P869 VanDerWaalsContact NH2-O 3.11Å; R748-I870 WeakPolarHBondContact CB-O 2.97Å; R748-I870 PolarHBondContact NE-O 3.28Å
749L98.4Very high95.9Very high0 Ų022.2 Ų22.20%013%0.125CC..Hα-helixtrans-58.7-47.9174.6-171.674.9000111.8D745 M747 A752 D753 G771 L775 L829 L867 I870D745-L749 WeakPolarHBondContact O-CB 3.48Å; D745-L749 PolarHBondContact O-N 3.41Å; M747-L749 VanDerWaalsContact C-N 3.32Å; M747-L749 PolarHBondContact O-N 3.15Å; L749-A752 PolarHBondContact O-N 2.65Å; L749-D753 PolarHBondContact O-N 2.67Å; L749-G771 VanDerWaalsContact CD2-CA 3.45Å; L749-L775 HydrophobicContact CD2-CD1 4.09Å; L749-L775 HydrophobicContact CD2-CG 4.15Å; L749-L829 HydrophobicContact CD1-CD1 3.43Å; L749-L829 VanDerWaalsContact CD1-CD1 3.43Å; L749-L829 HydrophobicContact CD1-CD2 3.92Å; L749-L829 HydrophobicContact CD1-CG 4.32Å; L749-L829 HydrophobicContact CG-CD2 4.31Å; L749-L867 HydrophobicContact CD1-CD1 4.28Å; L749-I870 HydrophobicContact CD1-CG2 4.23Å
750A98Very high95.8Very high3 Ų324.4 Ų24.43%0.02514%0.137CC..Hα-helixtrans-68.3-33.517700000112.7G746 M747 A752 D753 A754 F763 M767 A768G746-A750 PolarHBondContact O-N 3.32Å; M747-A750 PolarHBondContact O-N 2.85Å; A750-A752 VanDerWaalsContact C-N 3.34Å; A750-D753 PolarHBondContact O-N 2.88Å; A750-A754 PolarHBondContact O-N 3.16Å; A750-F763 HydrophobicContact CB-CD2 4.11Å; A750-F763 HydrophobicContact CB-CE2 3.52Å; A750-F763 HydrophobicContact CB-CZ 3.92Å; A750-M767 HydrophobicContact CB-SD 3.94Å; A750-A768 HydrophobicContact CB-CB 3.71Å
751L98.1Very high95.9Very high0 Ų021.1 Ų21.10%011%0.114CC..Hα-helixtrans-67.3-32.4173.8-71.2171.3000112.8L62 F66 L718 M747 R748 A754 F763L62-L751 HydrophobicContact CD1-CD2 4.38Å; L62-L751 HydrophobicContact CG-CD2 4.32Å; F66-L751 HydrophobicContact CB-CD2 3.83Å; F66-L751 HydrophobicContact CD2-CD2 4.22Å; L718-L751 HydrophobicContact CD2-CD2 4.35Å; M747-L751 HydrophobicContact CE-CD1 4.13Å; M747-L751 HydrophobicContact CG-CD1 3.88Å; M747-L751 HydrophobicContact CG-CG 4.32Å; M747-L751 WeakPolarHBondContact O-CG 3.45Å; M747-L751 PolarHBondContact O-N 3.37Å; M747-L751 HydrophobicContact SD-CD1 4.18Å; R748-L751 PolarHBondContact O-N 3.47Å; L751-A754 PolarHBondContact O-N 3.16Å; L751-F763 HydrophobicContact CD2-CD2 3.75Å; L751-F763 HydrophobicContact CD2-CE2 4.18Å; L751-F763 HydrophobicContact CG-CD2 4.13Å; L751-F763 HydrophobicContact CG-CE2 4.1Å
752A98.1Very high96Very high0 Ų019.3 Ų19.30%011%0.108CC..Hα-helixtrans-66.1-39.4172.300000111.5F73 R748 L749 A750 K826 L829 I870F73-A752 HydrophobicContact CE2-CB 3.8Å; F73-A752 HydrophobicContact CZ-CB 4.15Å; R748-A752 PolarHBondContact O-N 3.24Å; L749-A752 PolarHBondContact O-N 2.65Å; A750-A752 VanDerWaalsContact C-N 3.34Å; A752-K826 WeakPolarHBondContact O-CA 3.15Å; A752-K826 PolarHBondContact O-N 3.02Å; A752-L829 HydrophobicContact CB-CD2 4.2Å; A752-I870 HydrophobicContact CB-CD1 3.87Å; A752-I870 HydrophobicContact CB-CG1 4.21Å; A752-I870 HydrophobicContact CB-CG2 3.97Å
753D97.7Very high96.1Very high42 Ų4219.3 Ų19.323%0.22511%0.108CC..Hα-helixtrans-77.6-17.7177.3-172.150.5000114.4L749 A750 G755 M767 K826 L829L749-D753 PolarHBondContact O-N 2.67Å; A750-D753 PolarHBondContact O-N 2.88Å; D753-G755 PolarHBondContact O-N 3.47Å; D753-G755 VanDerWaalsContact O-N 3.14Å; D753-M767 HydrophobicContact CB-CE 3.71Å; D753-M767 HydrophobicContact CB-SD 4.2Å; D753-K826 WeakPolarHBondContact O-CD 3.42Å; D753-K826 PolarHBondContact O-NZ 3.18Å; D753-K826 VanDerWaalsContact OD1-CE 3.25Å; D753-K826 WeakPolarHBondContact OD1-CE 3.33Å; D753-K826 IonicContact OD1-NZ 3.5Å; D753-K826 PolarHBondContact OD1-NZ 2.93Å; D753-L829 HydrophobicContact CB-CD2 4.09Å
754A95.3Very high96.1Very high10 Ų1021.6 Ų21.68%0.08312%0.121CC..SBendtrans-59.3-32.1-170.600000114.3F66 L718 A750 L751 A761 N762F66-A754 HydrophobicContact CD2-CB 4.09Å; F66-A754 HydrophobicContact CE2-CB 3.89Å; L718-A754 HydrophobicContact CD1-CB 4.18Å; A750-A754 PolarHBondContact O-N 3.16Å; L751-A754 PolarHBondContact O-N 3.16Å; A754-A761 HydrophobicContact CB-CB 4.4Å; A754-N762 VanDerWaalsContact CA-O 3.25Å; A754-N762 WeakPolarHBondContact CA-O 3.43Å; A754-N762 WeakPolarHBondContact CB-O 3.47Å; A754-N762 PolarHBondContact O-N 2.87Å
755G93.1Very high96Very high10 Ų1023.5 Ų23.510%0.10313%0.13CC..  trans150150177.400000113.3F66 K70 D753F66-G755 WeakPolarHBondContact CE2-O 3.49Å; F66-G755 VanDerWaalsContact CZ-O 3.29Å; F66-G755 WeakPolarHBondContact CZ-O 3.37Å; K70-G755 PolarHBondContact NZ-O 3.19Å; D753-G755 PolarHBondContact O-N 3.47Å; D753-G755 VanDerWaalsContact O-N 3.14Å
756D92.1Very high95.8Very high16 Ų1628.4 Ų28.49%0.08616%0.161CC..  trans-120-4.5179.1-68.2-43.3000114.2K70 R713 M824 Y825 K826K70-D756 IonicContact NZ-OD1 3.48Å; K70-D756 PolarHBondContact NZ-OD1 2.91Å; R713-D756 PolarHBondContact NH2-O 3.18Å; R713-D756 IonicContact NH2-OD1 3.88Å; D756-M824 HydrophobicContact CB-SD 3.78Å; D756-M824 WeakPolarHBondContact OD2-CA 3.33Å; D756-Y825 VanDerWaalsContact CG-N 3.3Å; D756-Y825 PolarHBondContact OD1-N 3.08Å; D756-Y825 PolarHBondContact OD2-N 2.93Å; D756-K826 WeakPolarHBondContact OD2-CA 3.38Å; D756-K826 WeakPolarHBondContact OD2-CB 3.48Å; D756-K826 PolarHBondContact OD2-N 2.81Å
757T91.6Very high95.6Very high87 Ų8730 Ų3053%0.53417%0.169SC..SBendtrans-83.1174.2-179.958.80000112G716 E759G716-T757 PolarHBondContact N-O 3.25Å; T757-E759 VanDerWaalsContact C-N 3.29Å
758V93.3Very high95.5Very high14 Ų1430 Ų309%0.08517%0.169CC..SBendtrans-79.4-16.5172-177.60000111.6C562 K683 G716C562-V758 VanDerWaalsContact SG-CG2 3.52Å; K683-V758 HydrophobicContact CB-CG1 4.06Å; K683-V758 HydrophobicContact CD-CG1 3.98Å; K683-V758 WeakPolarHBondContact CD-O 3.49Å; K683-V758 PolarHBondContact NZ-O 2.84Å; G716-V758 WeakPolarHBondContact CA-O 3.49Å; G716-V758 PolarHBondContact N-O 2.87Å
759E92.4Very high95.3Very high122 Ų12232.7 Ų32.757%0.5718%0.183SC*.SBendtrans-63.6156.1167.2-69-60.2158.600111.2G716 T757 A761G716-E759 WeakPolarHBondContact CA-O 3.37Å; T757-E759 VanDerWaalsContact C-N 3.29Å; E759-A761 PolarHBondContact O-N 3.16Å
760D93.1Very high95.1Very high58 Ų5834.9 Ų34.931%0.3120%0.201SC..PPolyproline II helixtrans-61.6127.6-177.1-70.7-7.3000110.5K683 H717 L719K683-D760 VanDerWaalsContact CE-OD1 3.31Å; K683-D760 WeakPolarHBondContact CE-OD1 3.42Å; K683-D760 IonicContact NZ-OD1 3Å; K683-D760 PolarHBondContact NZ-OD1 2.9Å; H717-D760 PolarHBondContact N-OD1 3Å; H717-D760 CarbonylContact O-C 3.54Å; H717-D760 VanDerWaalsContact O-CA 3.24Å; H717-D760 WeakPolarHBondContact O-CA 3.44Å; H717-D760 WeakPolarHBondContact O-CB 3.35Å; L719-D760 HydrophobicContact CD1-CB 4.19Å; L719-D760 HydrophobicContact CG-CB 4.14Å
761A95.8Very high94.9Very high3 Ų334.8 Ų34.83%0.02520%0.2CC..EExtended strand (participates in β ladder)trans-83.3161.6-179.600000110.3F66 H717 L718 L719 A754 E759F66-A761 HydrophobicContact CD1-CB 4.36Å; F66-A761 HydrophobicContact CE1-CB 3.54Å; F66-A761 HydrophobicContact CE2-CB 3.74Å; F66-A761 HydrophobicContact CZ-CB 3.18Å; H717-A761 PolarHBondContact O-N 3.33Å; L718-A761 HydrophobicContact CD1-CB 4.08Å; L719-A761 WeakPolarHBondContact CB-O 3.42Å; L719-A761 PolarHBondContact N-O 2.94Å; A754-A761 HydrophobicContact CB-CB 4.4Å; E759-A761 PolarHBondContact O-N 3.16Å
762N97.2Very high94.8Very high40 Ų4035 Ų3521%0.21420%0.201CC..EExtended strand (participates in β ladder)trans-131.2118.2-175.4-167.816.8000112.5S722 A754S722-N762 PolarHBondContact N-ND2 3.35Å; S722-N762 PolarHBondContact N-OD1 3.46Å; S722-N762 PolarHBondContact OG-ND2 2.99Å; A754-N762 VanDerWaalsContact CA-O 3.25Å; A754-N762 WeakPolarHBondContact CA-O 3.43Å; A754-N762 WeakPolarHBondContact CB-O 3.47Å; A754-N762 PolarHBondContact O-N 2.87Å
763F97.6Very high94.6Very high0 Ų038.9 Ų38.90%022%0.222CC..EExtended strand (participates in β ladder)trans-87.8115.2169-171.5-84.8000109.6L62 L718 L719 L720 N721 F742 M747 A750 L751 E765 A768L62-F763 HydrophobicContact CD2-CB 3.93Å; L62-F763 HydrophobicContact CD2-CD1 3.76Å; L62-F763 HydrophobicContact CD2-CD2 3.8Å; L62-F763 HydrophobicContact CD2-CE1 4.19Å; L62-F763 HydrophobicContact CD2-CE2 4.21Å; L62-F763 HydrophobicContact CD2-CG 3.55Å; L62-F763 HydrophobicContact CD2-CZ 4.39Å; L718-F763 HydrophobicContact CD1-CB 4.11Å; L718-F763 HydrophobicContact CD2-CB 4.2Å; L718-F763 HydrophobicContact CG-CB 4.32Å; L719-F763 PolarHBondContact O-N 3.29Å; L720-F763 HydrophobicContact CD1-CB 4.36Å; L720-F763 HydrophobicContact CD1-CD1 3.67Å; L720-F763 HydrophobicContact CD1-CE1 4.49Å; L720-F763 HydrophobicContact CD1-CG 4.44Å; N721-F763 PolarHBondContact N-O 2.99Å; F742-F763 HydrophobicContact CD2-CE1 4.26Å; F742-F763 HydrophobicContact CD2-CZ 4.05Å; F742-F763 AromaticContact CE2-CE1 3.85Å; F742-F763 HydrophobicContact CE2-CE1 3.85Å; F742-F763 HydrophobicContact CE2-CZ 4.12Å; F742-F763 HydrophobicContact CZ-CE1 4.34Å; M747-F763 HydrophobicContact CG-CE2 4.28Å; A750-F763 HydrophobicContact CB-CD2 4.11Å; A750-F763 HydrophobicContact CB-CE2 3.52Å; A750-F763 HydrophobicContact CB-CZ 3.92Å; L751-F763 HydrophobicContact CD2-CD2 3.75Å; L751-F763 HydrophobicContact CD2-CE2 4.18Å; L751-F763 HydrophobicContact CG-CD2 4.13Å; L751-F763 HydrophobicContact CG-CE2 4.1Å; F763-E765 HydrophobicContact CD1-CG 4.47Å; F763-E765 HydrophobicContact CE1-CG 4.26Å; F763-A768 HydrophobicContact CE1-CB 4.43Å; F763-A768 HydrophobicContact CZ-CB 4.07Å
764V96.4Very high94.5Very high47 Ų4742.7 Ų42.729%0.28523%0.233SC..  trans-107.8116.3-179.9-176.90000109.5T766 M767 A768V764-T766 VanDerWaalsContact C-N 3.31Å; V764-T766 VanDerWaalsContact CG1-OG1 3.27Å; V764-T766 WeakPolarHBondContact CG1-OG1 3.42Å; V764-T766 PolarHBondContact O-N 3.43Å; V764-M767 HydrophobicContact CB-CB 4.13Å; V764-M767 HydrophobicContact CG1-CB 4.4Å; V764-M767 WeakPolarHBondContact O-CB 3.48Å; V764-M767 PolarHBondContact O-N 3.01Å; V764-M767 VanDerWaalsContact O-N 3.11Å; V764-A768 PolarHBondContact O-N 3.16Å
765E95.2Very high94.6Very high40 Ų4042.2 Ų42.219%0.18723%0.229CC..Hα-helixtrans-63.5-36.2-174.9-62.9-167.2163.700112.9L720 N721 K741 F742 F763 M767 A768 D769L720-E765 HydrophobicContact CD1-CG 4.15Å; N721-E765 PolarHBondContact OD1-N 2.94Å; K741-E765 WeakPolarHBondContact CE-OE2 3.35Å; K741-E765 IonicContact NZ-OE1 3.48Å; K741-E765 PolarHBondContact NZ-OE1 3.46Å; K741-E765 IonicContact NZ-OE2 3.56Å; K741-E765 PolarHBondContact NZ-OE2 3.44Å; F742-E765 HydrophobicContact CE1-CB 4.18Å; F742-E765 HydrophobicContact CE2-CG 4.34Å; F742-E765 HydrophobicContact CZ-CB 3.79Å; F742-E765 HydrophobicContact CZ-CG 3.65Å; F763-E765 HydrophobicContact CD1-CG 4.47Å; F763-E765 HydrophobicContact CE1-CG 4.26Å; E765-M767 PolarHBondContact O-N 3.25Å; E765-A768 WeakPolarHBondContact O-CB 3.47Å; E765-A768 PolarHBondContact O-N 3.13Å; E765-A768 VanDerWaalsContact O-N 3.15Å; E765-D769 PolarHBondContact O-N 2.9Å
766T94.8Very high94.7Very high105 Ų10544.4 Ų44.464%0.64423%0.234SC*.Hα-helixtrans-65.6-29.6177.756.40000112.4V764 A770V764-T766 VanDerWaalsContact C-N 3.31Å; V764-T766 VanDerWaalsContact CG1-OG1 3.27Å; V764-T766 WeakPolarHBondContact CG1-OG1 3.42Å; V764-T766 PolarHBondContact O-N 3.43Å; T766-A770 WeakPolarHBondContact O-CB 3.32Å; T766-A770 PolarHBondContact O-N 2.98Å; T766-A770 VanDerWaalsContact O-N 3.07Å
767M94Very high94.9Very high34 Ų3447.3 Ų47.317%0.16725%0.253CS..Hα-helixtrans-70.2-43.3172.6-172.8-76.6169.600110.3A750 D753 V764 E765 D769 A770 G771 F834A750-M767 HydrophobicContact CB-SD 3.94Å; D753-M767 HydrophobicContact CB-CE 3.71Å; D753-M767 HydrophobicContact CB-SD 4.2Å; V764-M767 HydrophobicContact CB-CB 4.13Å; V764-M767 HydrophobicContact CG1-CB 4.4Å; V764-M767 WeakPolarHBondContact O-CB 3.48Å; V764-M767 PolarHBondContact O-N 3.01Å; V764-M767 VanDerWaalsContact O-N 3.11Å; E765-M767 PolarHBondContact O-N 3.25Å; M767-D769 VanDerWaalsContact C-N 3.3Å; M767-D769 PolarHBondContact O-N 3.34Å; M767-A770 PolarHBondContact O-N 2.93Å; M767-G771 PolarHBondContact O-N 3.48Å; M767-F834 HydrophobicContact CE-CE2 4.22Å; M767-F834 HydrophobicContact CE-CZ 3.72Å
768A94.8Very high95.2Very high0 Ų043.3 Ų43.30%023%0.228CC..Hα-helixtrans-58.6-42.517500000111.8F742 A750 F763 V764 E765 G771 I772F742-A768 HydrophobicContact CB-CB 4.48Å; F742-A768 HydrophobicContact CD1-CB 3.72Å; F742-A768 HydrophobicContact CE1-CB 4.07Å; F742-A768 HydrophobicContact CG-CB 4.04Å; A750-A768 HydrophobicContact CB-CB 3.71Å; F763-A768 HydrophobicContact CE1-CB 4.43Å; F763-A768 HydrophobicContact CZ-CB 4.07Å; V764-A768 PolarHBondContact O-N 3.16Å; E765-A768 WeakPolarHBondContact O-CB 3.47Å; E765-A768 PolarHBondContact O-N 3.13Å; E765-A768 VanDerWaalsContact O-N 3.15Å; A768-G771 WeakPolarHBondContact O-CA 3.14Å; A768-G771 PolarHBondContact O-N 2.95Å; A768-I772 WeakPolarHBondContact O-CG1 3.43Å; A768-I772 PolarHBondContact O-N 3.06Å
769D93.7Very high95.3Very high56 Ų5642.6 Ų42.630%0.29922%0.224SC..Hα-helixtrans-63.9-43.5176.2-72.4-13.1000112.9R4 F742 E765 M767 G771 I772 L773R4-D769 IonicContact CZ-OD1 3.18Å; R4-D769 IonicContact NE-OD1 2.64Å; R4-D769 IonicContact NH1-OD1 3.32Å; R4-D769 PolarHBondContact NH1-OD1 3.25Å; R4-D769 VanDerWaalsContact NH2-CG 3.35Å; R4-D769 IonicContact NH2-OD1 2.81Å; R4-D769 PolarHBondContact NH2-OD1 2.94Å; F742-D769 WeakPolarHBondContact CE1-OD1 3.28Å; E765-D769 PolarHBondContact O-N 2.9Å; M767-D769 VanDerWaalsContact C-N 3.3Å; M767-D769 PolarHBondContact O-N 3.34Å; D769-G771 VanDerWaalsContact C-N 3.27Å; D769-G771 PolarHBondContact O-N 3.19Å; D769-I772 PolarHBondContact O-N 3.14Å; D769-L773 PolarHBondContact O-N 2.68Å; D769-L773 VanDerWaalsContact O-N 3.17Å
770A94.3Very high95.5Very high45 Ų4540.1 Ų40.137%0.37221%0.212SC..Hα-helixtrans-64.4-34.9173.600000111.9T766 M767 L773 R774T766-A770 WeakPolarHBondContact O-CB 3.32Å; T766-A770 PolarHBondContact O-N 2.98Å; T766-A770 VanDerWaalsContact O-N 3.07Å; M767-A770 PolarHBondContact O-N 2.93Å; A770-L773 PolarHBondContact O-N 2.82Å; A770-R774 WeakPolarHBondContact O-CG 3.27Å; A770-R774 PolarHBondContact O-N 3.03Å
771G94.6Very high95.7Very high1 Ų138 Ų381%0.0120%0.2CC..Hα-helixtrans-61-50.9173.900000112.6L749 M767 A768 D769 L773 R774 L775L749-G771 VanDerWaalsContact CD2-CA 3.45Å; M767-G771 PolarHBondContact O-N 3.48Å; A768-G771 WeakPolarHBondContact O-CA 3.14Å; A768-G771 PolarHBondContact O-N 2.95Å; D769-G771 VanDerWaalsContact C-N 3.27Å; D769-G771 PolarHBondContact O-N 3.19Å; G771-L773 VanDerWaalsContact C-N 3.27Å; G771-L773 PolarHBondContact O-N 2.73Å; G771-R774 PolarHBondContact O-N 2.92Å; G771-R774 VanDerWaalsContact O-N 3.12Å; G771-L775 WeakPolarHBondContact O-CG 3.41Å; G771-L775 PolarHBondContact O-N 2.63Å
772I95.1Very high95.8Very high5 Ų537.9 Ų37.93%0.02620%0.198CC..Hα-helixtrans-55.6-43.8175.5-69.1159.3000110.9L10 L13 F742 A768 D769 L775 Y776L10-I772 HydrophobicContact CD1-CD1 4.33Å; L13-I772 HydrophobicContact CD1-CB 4.46Å; L13-I772 HydrophobicContact CD1-CG1 4.39Å; L13-I772 HydrophobicContact CD1-CG2 3.89Å; F742-I772 HydrophobicContact CB-CD1 4.11Å; F742-I772 HydrophobicContact CD1-CD1 4.25Å; F742-I772 VanDerWaalsContact O-CD1 3.29Å; F742-I772 WeakPolarHBondContact O-CD1 3.49Å; A768-I772 WeakPolarHBondContact O-CG1 3.43Å; A768-I772 PolarHBondContact O-N 3.06Å; D769-I772 PolarHBondContact O-N 3.14Å; I772-L775 PolarHBondContact O-N 3.39Å; I772-Y776 WeakPolarHBondContact O-CB 3.32Å; I772-Y776 PolarHBondContact O-N 3.43Å
773L94.8Very high95.8Very high82 Ų8238.9 Ų38.943%0.42920%0.201SC..Hα-helixtrans-61.3-47.1177.6-179.662.3000111.6K9 D769 A770 G771 Y776 T777K9-L773 HydrophobicContact CD-CD1 4.18Å; D769-L773 PolarHBondContact O-N 2.68Å; D769-L773 VanDerWaalsContact O-N 3.17Å; A770-L773 PolarHBondContact O-N 2.82Å; G771-L773 VanDerWaalsContact C-N 3.27Å; G771-L773 PolarHBondContact O-N 2.73Å; L773-Y776 PolarHBondContact O-N 3.27Å; L773-T777 HydrophobicContact CD1-CG2 4.38Å; L773-T777 WeakPolarHBondContact O-CG2 3.21Å; L773-T777 PolarHBondContact O-N 2.97Å; L773-T777 PolarHBondContact O-OG1 3.04Å; L773-T777 VanDerWaalsContact O-OG1 3.13Å
774R95.8Very high95.7Very high122 Ų12242.6 Ų42.646%0.4622%0.218SC..Hα-helixtrans-63.1-42.4179.2-73.1174.3-177.3-111.85.3112.2A770 G771 T777 W778 F833A770-R774 WeakPolarHBondContact O-CG 3.27Å; A770-R774 PolarHBondContact O-N 3.03Å; G771-R774 PolarHBondContact O-N 2.92Å; G771-R774 VanDerWaalsContact O-N 3.12Å; R774-T777 WeakPolarHBondContact CA-OG1 3.41Å; R774-T777 PolarHBondContact O-N 2.81Å; R774-T777 PolarHBondContact O-OG1 2.63Å; R774-W778 VanDerWaalsContact O-CB 3.32Å; R774-W778 WeakPolarHBondContact O-CB 3.36Å; R774-W778 PolarHBondContact O-N 3.11Å; R774-F833 HydrophobicContact CB-CE1 4.28Å; R774-F833 HydrophobicContact CB-CZ 4.2Å
775L96.8Very high95.7Very high0 Ų040.7 Ų40.70%021%0.206CC..Hα-helixtrans-61.6-44.7176.3-71.9178.9000111.5D745 L749 G771 I772 W778 V779 F833 L867 L874D745-L775 HydrophobicContact CB-CD1 4.38Å; L749-L775 HydrophobicContact CD2-CD1 4.09Å; L749-L775 HydrophobicContact CD2-CG 4.15Å; G771-L775 WeakPolarHBondContact O-CG 3.41Å; G771-L775 PolarHBondContact O-N 2.63Å; I772-L775 PolarHBondContact O-N 3.39Å; L775-W778 WeakPolarHBondContact O-CB 3.46Å; L775-W778 PolarHBondContact O-N 3.49Å; L775-V779 WeakPolarHBondContact O-CG2 3.43Å; L775-V779 PolarHBondContact O-N 3.32Å; L775-V779 VanDerWaalsContact O-N 3.09Å; L775-F833 HydrophobicContact CD2-CE2 4.49Å; L775-F833 HydrophobicContact CD2-CZ 4.16Å; L775-L867 HydrophobicContact CD2-CD2 3.9Å; L775-L874 HydrophobicContact CB-CD1 3.72Å; L775-L874 HydrophobicContact CD1-CD1 4.47Å; L775-L874 HydrophobicContact CD2-CD1 4.11Å; L775-L874 HydrophobicContact CG-CD1 4.3Å
776Y96Very high95.7Very high56 Ų5641 Ų4122%0.2221%0.209CC..Hα-helixtrans-63.3-47.6176.4-176.3-90.6000111.8K9 Y12 I772 L773 W778 V779 E780K9-Y776 HydrophobicContact CB-CD2 3.95Å; K9-Y776 HydrophobicContact CB-CE2 4.43Å; K9-Y776 HydrophobicContact CB-CG 4.13Å; K9-Y776 HydrophobicContact CD-CD1 3.86Å; K9-Y776 HydrophobicContact CD-CE1 4.32Å; K9-Y776 HydrophobicContact CD-CG 3.97Å; K9-Y776 HydrophobicContact CG-CD1 4Å; K9-Y776 HydrophobicContact CG-CD2 3.89Å; K9-Y776 HydrophobicContact CG-CE1 4.19Å; K9-Y776 HydrophobicContact CG-CE2 4.06Å; K9-Y776 HydrophobicContact CG-CG 3.85Å; Y12-Y776 AromaticContact CD1-CD2 4Å; Y12-Y776 HydrophobicContact CD1-CD2 4Å; Y12-Y776 AromaticContact CD1-CE2 3.99Å; Y12-Y776 HydrophobicContact CD1-CE2 3.99Å; Y12-Y776 HydrophobicContact CG-CD2 4.44Å; Y12-Y776 HydrophobicContact CG-CE2 4.08Å; I772-Y776 WeakPolarHBondContact O-CB 3.32Å; I772-Y776 PolarHBondContact O-N 3.43Å; L773-Y776 PolarHBondContact O-N 3.27Å; Y776-W778 PolarHBondContact O-N 3.49Å; Y776-V779 PolarHBondContact O-N 2.99Å; Y776-E780 HydrophobicContact CD1-CG 4.03Å; Y776-E780 HydrophobicContact CE1-CG 3.53Å; Y776-E780 HydrophobicContact CE2-CG 4.48Å; Y776-E780 WeakPolarHBondContact O-CG 3.21Å; Y776-E780 PolarHBondContact O-N 3.32Å
777T95.9Very high95.7Very high76 Ų7639.7 Ų39.747%0.46621%0.209SC..Hα-helixtrans-63.6-31.9178.251.70000112.6L773 R774 W781L773-T777 HydrophobicContact CD1-CG2 4.38Å; L773-T777 WeakPolarHBondContact O-CG2 3.21Å; L773-T777 PolarHBondContact O-N 2.97Å; L773-T777 PolarHBondContact O-OG1 3.04Å; L773-T777 VanDerWaalsContact O-OG1 3.13Å; R774-T777 WeakPolarHBondContact CA-OG1 3.41Å; R774-T777 PolarHBondContact O-N 2.81Å; R774-T777 PolarHBondContact O-OG1 2.63Å; T777-W781 VanDerWaalsContact O-CB 3.31Å; T777-W781 WeakPolarHBondContact O-CB 3.16Å; T777-W781 PolarHBondContact O-N 2.72Å
778W97.1Very high95.7Very high3 Ų341.1 Ų41.11%0.01122%0.217CC..Hα-helixtrans-63.6-50.6173.8166.4-115.6000111.5R774 L775 Y776 E780 W781 V782 Q837 K840 F859 I860 Q863R774-W778 VanDerWaalsContact O-CB 3.32Å; R774-W778 WeakPolarHBondContact O-CB 3.36Å; R774-W778 PolarHBondContact O-N 3.11Å; L775-W778 WeakPolarHBondContact O-CB 3.46Å; L775-W778 PolarHBondContact O-N 3.49Å; Y776-W778 PolarHBondContact O-N 3.49Å; W778-E780 VanDerWaalsContact C-N 3.35Å; W778-E780 PolarHBondContact O-N 2.77Å; W778-W781 AromaticContact CE3-CE3 3.81Å; W778-W781 HydrophobicContact CE3-CE3 3.81Å; W778-W781 HydrophobicContact CE3-CZ3 4.32Å; W778-W781 AromaticContact CH2-CE3 3.97Å; W778-W781 HydrophobicContact CH2-CE3 3.97Å; W778-W781 AromaticContact CH2-CZ3 3.74Å; W778-W781 HydrophobicContact CH2-CZ3 3.74Å; W778-W781 HydrophobicContact CZ3-CD2 4.36Å; W778-W781 AromaticContact CZ3-CE3 3.24Å; W778-W781 HydrophobicContact CZ3-CE3 3.24Å; W778-W781 HydrophobicContact CZ3-CH2 4.49Å; W778-W781 AromaticContact CZ3-CZ3 3.32Å; W778-W781 HydrophobicContact CZ3-CZ3 3.32Å; W778-W781 WeakPolarHBondContact O-CB 3.24Å; W778-W781 PolarHBondContact O-N 2.84Å; W778-V782 HydrophobicContact CD2-CG2 4.1Å; W778-V782 HydrophobicContact CE3-CG2 4.32Å; W778-V782 HydrophobicContact CH2-CG2 3.85Å; W778-V782 HydrophobicContact CZ2-CG2 3.59Å; W778-V782 HydrophobicContact CZ3-CG2 4.19Å; W778-V782 WeakPolarHBondContact O-CG2 3.43Å; W778-V782 PolarHBondContact O-N 3.24Å; W778-Q837 VanDerWaalsContact CE3-NE2 3.29Å; W778-K840 HydrophobicContact CZ3-CD 4.25Å; W778-F859 AromaticContact CH2-CD1 3.98Å; W778-F859 HydrophobicContact CH2-CD1 3.98Å; W778-F859 AromaticContact CH2-CE1 3.58Å; W778-F859 HydrophobicContact CH2-CE1 3.58Å; W778-F859 HydrophobicContact CZ3-CD1 4.25Å; W778-F859 AromaticContact CZ3-CE1 3.57Å; W778-F859 HydrophobicContact CZ3-CE1 3.57Å; W778-I860 HydrophobicContact CH2-CB 4.25Å; W778-I860 HydrophobicContact CH2-CG1 3.9Å; W778-I860 HydrophobicContact CH2-CG2 4.25Å; W778-I860 HydrophobicContact CZ2-CG2 4.06Å; W778-Q863 HydrophobicContact CH2-CB 4.04Å; W778-Q863 HydrophobicContact CH2-CG 3.84Å; W778-Q863 HydrophobicContact CZ2-CB 3.94Å; W778-Q863 HydrophobicContact CZ2-CG 3.57Å; W778-Q863 HydrophobicContact CZ3-CG 4.45Å
779V96.3Very high95.5Very high0 Ų045 Ų450%024%0.236CC..Hα-helixtrans-61.7-43.1178.91720000111.5Y12 L775 Y776 W781 V782 K783 L874 Y877Y12-V779 HydrophobicContact CE1-CG1 4.27Å; L775-V779 WeakPolarHBondContact O-CG2 3.43Å; L775-V779 PolarHBondContact O-N 3.32Å; L775-V779 VanDerWaalsContact O-N 3.09Å; Y776-V779 PolarHBondContact O-N 2.99Å; V779-W781 VanDerWaalsContact C-N 3.32Å; V779-W781 PolarHBondContact O-N 3.18Å; V779-V782 PolarHBondContact O-N 3.08Å; V779-K783 WeakPolarHBondContact O-CG 3.41Å; V779-K783 PolarHBondContact O-N 2.99Å; V779-L874 HydrophobicContact CG2-CD1 3.59Å; V779-L874 HydrophobicContact CG2-CD2 3.72Å; V779-L874 HydrophobicContact CG2-CG 3.58Å; V779-Y877 HydrophobicContact CG1-CD1 4.44Å; V779-Y877 HydrophobicContact CG1-CE1 3.99Å
780E96.7Very high95.3Very high69 Ų6948.9 Ų48.932%0.32226%0.256SS..Hα-helixtrans-64-38.7176.6-69.7-62.1107.300111.8Y776 W778 V782 K783 E784Y776-E780 HydrophobicContact CD1-CG 4.03Å; Y776-E780 HydrophobicContact CE1-CG 3.53Å; Y776-E780 HydrophobicContact CE2-CG 4.48Å; Y776-E780 WeakPolarHBondContact O-CG 3.21Å; Y776-E780 PolarHBondContact O-N 3.32Å; W778-E780 VanDerWaalsContact C-N 3.35Å; W778-E780 PolarHBondContact O-N 2.77Å; E780-V782 PolarHBondContact O-N 3.17Å; E780-K783 PolarHBondContact O-N 2.84Å; E780-K783 WeakPolarHBondContact OE1-CD 3.43Å; E780-K783 IonicContact OE1-NZ 3.55Å; E780-K783 PolarHBondContact OE1-NZ 3.01Å; E780-E784 WeakPolarHBondContact O-CB 3.45Å; E780-E784 PolarHBondContact O-N 3.44Å
781W97.3Very high95.2Very high14 Ų1453 Ų535%0.05327%0.272CS..Hα-helixtrans-63.6-40173.8-176.777.4000112.1T777 W778 V779 K783 E784 M785 K840 M851 V856 F859 I860T777-W781 VanDerWaalsContact O-CB 3.31Å; T777-W781 WeakPolarHBondContact O-CB 3.16Å; T777-W781 PolarHBondContact O-N 2.72Å; W778-W781 AromaticContact CE3-CE3 3.81Å; W778-W781 HydrophobicContact CE3-CE3 3.81Å; W778-W781 HydrophobicContact CE3-CZ3 4.32Å; W778-W781 AromaticContact CH2-CE3 3.97Å; W778-W781 HydrophobicContact CH2-CE3 3.97Å; W778-W781 AromaticContact CH2-CZ3 3.74Å; W778-W781 HydrophobicContact CH2-CZ3 3.74Å; W778-W781 HydrophobicContact CZ3-CD2 4.36Å; W778-W781 AromaticContact CZ3-CE3 3.24Å; W778-W781 HydrophobicContact CZ3-CE3 3.24Å; W778-W781 HydrophobicContact CZ3-CH2 4.49Å; W778-W781 AromaticContact CZ3-CZ3 3.32Å; W778-W781 HydrophobicContact CZ3-CZ3 3.32Å; W778-W781 WeakPolarHBondContact O-CB 3.24Å; W778-W781 PolarHBondContact O-N 2.84Å; V779-W781 VanDerWaalsContact C-N 3.32Å; V779-W781 PolarHBondContact O-N 3.18Å; W781-K783 PolarHBondContact O-N 2.72Å; W781-E784 WeakPolarHBondContact O-CB 3.43Å; W781-E784 PolarHBondContact O-N 3.38Å; W781-M785 HydrophobicContact CD2-CG 3.89Å; W781-M785 HydrophobicContact CE3-CG 4.11Å; W781-M785 HydrophobicContact CH2-CG 3.88Å; W781-M785 HydrophobicContact CH2-SD 4.5Å; W781-M785 HydrophobicContact CZ2-CG 3.58Å; W781-M785 HydrophobicContact CZ2-SD 3.76Å; W781-M785 HydrophobicContact CZ3-CG 4.11Å; W781-M785 WeakPolarHBondContact O-CG 3.48Å; W781-M785 PolarHBondContact O-N 2.76Å; W781-K840 HydrophobicContact CD2-CD 4.37Å; W781-K840 HydrophobicContact CE3-CD 4.25Å; W781-K840 HydrophobicContact CH2-CD 3.69Å; W781-K840 HydrophobicContact CH2-CG 4.03Å; W781-K840 HydrophobicContact CZ2-CD 3.86Å; W781-K840 HydrophobicContact CZ2-CG 4.17Å; W781-K840 HydrophobicContact CZ3-CD 3.91Å; W781-M851 HydrophobicContact CZ2-CE 4.25Å; W781-V856 HydrophobicContact CH2-CG1 3.86Å; W781-V856 HydrophobicContact CZ2-CG1 4.31Å; W781-F859 HydrophobicContact CH2-CD1 4.27Å; W781-F859 HydrophobicContact CZ3-CD1 4.21Å; W781-F859 HydrophobicContact CZ3-CE1 4.4Å; W781-I860 HydrophobicContact CE3-CG1 4.42Å; W781-I860 HydrophobicContact CH2-CD1 4.42Å; W781-I860 HydrophobicContact CH2-CG1 4.22Å; W781-I860 HydrophobicContact CZ3-CD1 3.92Å; W781-I860 HydrophobicContact CZ3-CG1 3.54Å
782V97.4Very high95.1Very high0 Ų054 Ų540%028%0.277CS..Hα-helixtrans-61.5-45.2174.6174.10000111.1W778 V779 E780 E784 M785 I786 I860 T878W778-V782 HydrophobicContact CD2-CG2 4.1Å; W778-V782 HydrophobicContact CE3-CG2 4.32Å; W778-V782 HydrophobicContact CH2-CG2 3.85Å; W778-V782 HydrophobicContact CZ2-CG2 3.59Å; W778-V782 HydrophobicContact CZ3-CG2 4.19Å; W778-V782 WeakPolarHBondContact O-CG2 3.43Å; W778-V782 PolarHBondContact O-N 3.24Å; V779-V782 PolarHBondContact O-N 3.08Å; E780-V782 PolarHBondContact O-N 3.17Å; V782-E784 VanDerWaalsContact C-N 3.32Å; V782-E784 PolarHBondContact O-N 3.3Å; V782-M785 PolarHBondContact O-N 3.46Å; V782-I786 HydrophobicContact CG1-CD1 3.81Å; V782-I786 HydrophobicContact CG1-CG1 4.45Å; V782-I786 WeakPolarHBondContact O-CG1 3.42Å; V782-I786 PolarHBondContact O-N 3.42Å; V782-I860 HydrophobicContact CG1-CD1 4.47Å; V782-I860 HydrophobicContact CG1-CG2 3.98Å; V782-I860 HydrophobicContact CG2-CD1 4.44Å; V782-I860 HydrophobicContact CG2-CG1 4.24Å; V782-I860 HydrophobicContact CG2-CG2 3.76Å; V782-T878 HydrophobicContact CG1-CG2 4.1Å; V782-T878 HydrophobicContact CG2-CG2 4.21Å
783K96.6Very high95.1Very high61 Ų6156.1 Ų56.127%0.26529%0.285SS..Hα-helixtrans-60.6-41.7175.2-68.5176.5-173.1166.70112.1Y12 V779 E780 W781 I786 A787 L881Y12-K783 WeakPolarHBondContact OH-CE 3.25Å; Y12-K783 PolarHBondContact OH-NZ 2.96Å; V779-K783 WeakPolarHBondContact O-CG 3.41Å; V779-K783 PolarHBondContact O-N 2.99Å; E780-K783 PolarHBondContact O-N 2.84Å; E780-K783 WeakPolarHBondContact OE1-CD 3.43Å; E780-K783 IonicContact OE1-NZ 3.55Å; E780-K783 PolarHBondContact OE1-NZ 3.01Å; W781-K783 PolarHBondContact O-N 2.72Å; K783-I786 PolarHBondContact O-N 3.21Å; K783-A787 WeakPolarHBondContact O-CB 3.28Å; K783-A787 PolarHBondContact O-N 3.4Å; K783-L881 HydrophobicContact CG-CD1 4.11Å
784E96.8Very high94.9Very high78 Ų7856.3 Ų56.336%0.36429%0.289SS..Hα-helixtrans-59.2-45.5175.2-173.8-165.8156.800111.2E780 W781 V782 A787 N788 R844E780-E784 WeakPolarHBondContact O-CB 3.45Å; E780-E784 PolarHBondContact O-N 3.44Å; W781-E784 WeakPolarHBondContact O-CB 3.43Å; W781-E784 PolarHBondContact O-N 3.38Å; V782-E784 VanDerWaalsContact C-N 3.32Å; V782-E784 PolarHBondContact O-N 3.3Å; E784-A787 PolarHBondContact O-N 3Å; E784-N788 VanDerWaalsContact O-CB 3.31Å; E784-N788 WeakPolarHBondContact O-CB 3.35Å; E784-N788 PolarHBondContact O-N 3Å; E784-N788 PolarHBondContact O-ND2 3.43Å; E784-R844 IonicContact OE1-NH2 3.49Å
785M96.1Very high94.7Very high7 Ų752.8 Ų52.83%0.03429%0.291CS..Hα-helixtrans-67.7-36.5179.3-65.7-56.292.500112.4W781 V782 N788 Q789 L792 M851 V856 I860W781-M785 HydrophobicContact CD2-CG 3.89Å; W781-M785 HydrophobicContact CE3-CG 4.11Å; W781-M785 HydrophobicContact CH2-CG 3.88Å; W781-M785 HydrophobicContact CH2-SD 4.5Å; W781-M785 HydrophobicContact CZ2-CG 3.58Å; W781-M785 HydrophobicContact CZ2-SD 3.76Å; W781-M785 HydrophobicContact CZ3-CG 4.11Å; W781-M785 WeakPolarHBondContact O-CG 3.48Å; W781-M785 PolarHBondContact O-N 2.76Å; V782-M785 PolarHBondContact O-N 3.46Å; M785-N788 CarbonylContact O-C 3.46Å; M785-Q789 WeakPolarHBondContact O-CA 3.41Å; M785-Q789 PolarHBondContact O-N 3.27Å; M785-L792 HydrophobicContact SD-CD2 4.43Å; M785-M851 HydrophobicContact SD-CE 3.78Å; M785-V856 HydrophobicContact CB-CG1 4.17Å; M785-V856 HydrophobicContact CG-CG1 3.87Å; M785-V856 HydrophobicContact SD-CG1 4.09Å; M785-I860 HydrophobicContact CB-CD1 4.12Å; M785-I860 HydrophobicContact CG-CD1 4.45Å
786I95Very high94.5Very high46 Ų4657.3 Ų57.324%0.23632%0.32CS..Hα-helixtrans-65.1-46.7173.8-67.6165.1000110.6V782 K783 N788 Q789 F857 L881 L882V782-I786 HydrophobicContact CG1-CD1 3.81Å; V782-I786 HydrophobicContact CG1-CG1 4.45Å; V782-I786 WeakPolarHBondContact O-CG1 3.42Å; V782-I786 PolarHBondContact O-N 3.42Å; K783-I786 PolarHBondContact O-N 3.21Å; I786-N788 VanDerWaalsContact C-N 3.33Å; I786-N788 PolarHBondContact O-N 3.34Å; I786-Q789 WeakPolarHBondContact O-CG 3.36Å; I786-Q789 PolarHBondContact O-N 3.09Å; I786-F857 HydrophobicContact CG1-CE1 3.99Å; I786-F857 HydrophobicContact CG1-CZ 4.36Å; I786-L881 HydrophobicContact CD1-CB 4.05Å; I786-L882 HydrophobicContact CD1-CD2 4.48Å
787A95.2Very high94.2Very high79 Ų7956.8 Ų56.865%0.65333%0.328SS*.Hα-helixtrans-64.3-37.8179.600000112.3K783 E784K783-A787 WeakPolarHBondContact O-CB 3.28Å; K783-A787 PolarHBondContact O-N 3.4Å; E784-A787 PolarHBondContact O-N 3Å
788N93.9Very high94Very high63 Ų6357.9 Ų57.934%0.33733%0.331SS..THydrogen-bonded Turntrans-9917.9-177.2-65.5-46.7000113.8E784 M785 I786 N790 N791E784-N788 VanDerWaalsContact O-CB 3.31Å; E784-N788 WeakPolarHBondContact O-CB 3.35Å; E784-N788 PolarHBondContact O-N 3Å; E784-N788 PolarHBondContact O-ND2 3.43Å; M785-N788 CarbonylContact O-C 3.46Å; I786-N788 VanDerWaalsContact C-N 3.33Å; I786-N788 PolarHBondContact O-N 3.34Å; N788-N790 PolarHBondContact O-N 3.04Å; N788-N791 WeakPolarHBondContact O-CB 3.49Å; N788-N791 PolarHBondContact O-N 3.41Å
789Q90.4Very high93.8Very high83 Ų8359.4 Ų59.439%0.38834%0.34SS..G310 helixtrans-55.3-28.7-174.764179.9-35.400114.2M785 I786 N791 F857M785-Q789 WeakPolarHBondContact O-CA 3.41Å; M785-Q789 PolarHBondContact O-N 3.27Å; I786-Q789 WeakPolarHBondContact O-CG 3.36Å; I786-Q789 PolarHBondContact O-N 3.09Å; Q789-N791 VanDerWaalsContact C-N 3.34Å; Q789-F857 HydrophobicContact CB-CE2 4.04Å; Q789-F857 HydrophobicContact CB-CZ 4.08Å
790N90.3Very high93.6Very high136 Ų13660.1 Ų60.173%0.72734%0.344SS*.G310 helixtrans-78.8-16.9179.6-63.8-24.6000113.4N788N788-N790 PolarHBondContact O-N 3.04Å
791N91.3Very high93.5Very high132 Ų13257.8 Ų57.871%0.70633%0.333SS*.G310 helixtrans-91.5-4.6178.5-63.4-18.4000112.3N788 Q789N788-N791 WeakPolarHBondContact O-CB 3.49Å; N788-N791 PolarHBondContact O-N 3.41Å; Q789-N791 VanDerWaalsContact C-N 3.34Å
792L93.2Very high93.5Very high21 Ų2157.1 Ų57.111%0.1133%0.331CS..SBendtrans-82.1148.3176.8-62.1178000110.3M785 T794 M851 R853 V856 F857M785-L792 HydrophobicContact SD-CD2 4.43Å; L792-T794 PolarHBondContact O-N 3.13Å; L792-M851 HydrophobicContact CD2-CB 4.43Å; L792-R853 HydrophobicContact CB-CB 3.75Å; L792-R853 HydrophobicContact CB-CG 4.22Å; L792-R853 HydrophobicContact CD1-CB 4.3Å; L792-R853 HydrophobicContact CD1-CG 4.15Å; L792-V856 HydrophobicContact CD1-CB 4.39Å; L792-V856 HydrophobicContact CD1-CG1 4.29Å; L792-F857 HydrophobicContact CD1-CE2 4.33Å
793R94.6Very high93.3Very high51 Ų5162.6 Ų62.619%0.19235%0.351CS..BIsolated β-bridgetrans-64.7136.5178.1179.1170.249.984.33.3109.8D802 G850 M851 H852 R853R793-D802 IonicContact CZ-OD1 3.08Å; R793-D802 IonicContact CZ-OD2 2.88Å; R793-D802 VanDerWaalsContact CZ-OD2 3.28Å; R793-D802 IonicContact NH1-OD2 3.7Å; R793-D802 PolarHBondContact NH1-OD2 2.98Å; R793-D802 IonicContact NH2-OD1 2.65Å; R793-D802 PolarHBondContact NH2-OD1 3.08Å; R793-D802 IonicContact NH2-OD2 3.72Å; R793-D802 PolarHBondContact NH2-OD2 3.45Å; R793-G850 PolarHBondContact NE-O 3.08Å; R793-G850 PolarHBondContact NH2-O 2.86Å; R793-M851 PolarHBondContact N-O 3.05Å; R793-H852 WeakPolarHBondContact O-CA 3.24Å; R793-H852 PolarHBondContact O-CD2 3.45Å; R793-R853 PolarHBondContact O-N 3.06Å
794T91.1Very high93.3Very high85 Ų8559.9 Ų59.952%0.52134%0.34SS..  trans-121.715917756.40000109.7L792 R853L792-T794 PolarHBondContact O-N 3.13Å; T794-R853 HydrophobicContact CG2-CB 4.21Å
795G91.4Very high93.3Very high49 Ų4956.3 Ų56.351%0.50532%0.323SS..SBendtrans119.3-156.1-175.600000111.8H852G795-H852 PolarHBondContact O-NE2 3.37Å
796P91.4Very high93.3Very high94 Ų9457.2 Ų57.261%0.6133%0.332SS*.  trans-70138.1172.529.1-32.5000111.2D798P796-D798 VanDerWaalsContact C-N 3.33Å; P796-D798 HydrophobicContact CB-CB 4.46Å; P796-D798 PolarHBondContact O-N 3.47Å
797A91.4Very high93.4Very high46 Ų4655.5 Ų55.538%0.3832%0.324SS..  trans-89.768173.400000110.2D802 H852A797-D802 HydrophobicContact CB-CB 4.14Å; A797-H852 HydrophobicContact CB-CB 4.5Å
798D90.8Very high93.4Very high98 Ų9852.8 Ų52.852%0.52430%0.297SS..  trans-105.3-11.5-169.159.8-5.7000114.5P796 R803P796-D798 VanDerWaalsContact C-N 3.33Å; P796-D798 HydrophobicContact CB-CB 4.46Å; P796-D798 PolarHBondContact O-N 3.47Å; D798-R803 PolarHBondContact O-NE 3.07Å
799T92.9Very high93.6Very high35 Ų3549.8 Ų49.822%0.21528%0.282CS..SBendtrans-59.2152.117875.60000110.5N801 D802 R803T799-N801 VanDerWaalsContact C-N 3.26Å; T799-N801 PolarHBondContact O-N 2.9Å; T799-D802 WeakPolarHBondContact O-CB 3.12Å; T799-D802 PolarHBondContact O-N 3.34Å; T799-D802 VanDerWaalsContact O-N 3.12Å; T799-D802 WeakPolarHBondContact OG1-CB 3.16Å; T799-D802 PolarHBondContact OG1-N 2.88Å; T799-D802 VanDerWaalsContact OG1-N 3.14Å; T799-D802 PolarHBondContact OG1-OD1 2.81Å; T799-D802 PolarHBondContact OG1-OD2 2.85Å; T799-R803 PolarHBondContact O-N 3.15Å
800F93.1Very high93.9Very high16 Ų1646.3 Ų46.37%0.0727%0.266CS..Hα-helixtrans-55.3-43.5176.8170.1-93000112.7D802 R803 V804 L903 S906 V1027 E1030F800-D802 VanDerWaalsContact C-N 3.32Å; F800-D802 PolarHBondContact O-N 3.4Å; F800-R803 PolarHBondContact O-N 3.48Å; F800-V804 HydrophobicContact CD1-CG2 4.17Å; F800-V804 HydrophobicContact CD2-CG2 4.42Å; F800-V804 HydrophobicContact CE1-CG2 3.84Å; F800-V804 HydrophobicContact CE2-CG2 4.1Å; F800-V804 HydrophobicContact CG-CG2 4.45Å; F800-V804 HydrophobicContact CZ-CG2 3.8Å; F800-V804 WeakPolarHBondContact O-CB 3.45Å; F800-V804 VanDerWaalsContact O-CG2 3.26Å; F800-V804 WeakPolarHBondContact O-CG2 3.45Å; F800-V804 PolarHBondContact O-N 3.34Å; F800-L903 HydrophobicContact CD2-CD2 4Å; F800-L903 HydrophobicContact CE2-CD2 3.8Å; F800-S906 WeakPolarHBondContact CE2-OG 3.09Å; F800-S906 VanDerWaalsContact CZ-OG 3.23Å; F800-S906 WeakPolarHBondContact CZ-OG 3.25Å; F800-V1027 HydrophobicContact CE2-CG2 4.29Å; F800-V1027 HydrophobicContact CZ-CG1 4.04Å; F800-V1027 HydrophobicContact CZ-CG2 4.37Å; F800-E1030 WeakPolarHBondContact CB-OE2 3.25Å; F800-E1030 VanDerWaalsContact CD2-OE2 3.31Å; F800-E1030 WeakPolarHBondContact CD2-OE2 3.38Å; F800-E1030 WeakPolarHBondContact CG-OE2 3.48Å
801N94.4Very high94.1Very high19 Ų1940.5 Ų40.510%0.10224%0.236CC..Hα-helixtrans-66.9-32.2178.9-68-47.2000112.5T799 F805 Y843 L846 N1031T799-N801 VanDerWaalsContact C-N 3.26Å; T799-N801 PolarHBondContact O-N 2.9Å; N801-F805 VanDerWaalsContact O-CB 3.28Å; N801-F805 WeakPolarHBondContact O-CB 3.34Å; N801-F805 PolarHBondContact O-N 2.85Å; N801-Y843 HydrophobicContact CB-CD2 4.23Å; N801-Y843 HydrophobicContact CB-CE2 4.23Å; N801-Y843 WeakPolarHBondContact O-CD2 3.09Å; N801-L846 PolarHBondContact ND2-O 3.08Å; N801-N1031 PolarHBondContact ND2-OD1 3.36Å; N801-N1031 PolarHBondContact OD1-OD1 3.41Å
802D95.4Very high94.4Very high1 Ų134.7 Ų34.71%0.00521%0.207CC..Hα-helixtrans-65-47.9172.7-63.4-22.5000111.2R793 A797 T799 F800 F805 A806 Y843 L855R793-D802 IonicContact CZ-OD1 3.08Å; R793-D802 IonicContact CZ-OD2 2.88Å; R793-D802 VanDerWaalsContact CZ-OD2 3.28Å; R793-D802 IonicContact NH1-OD2 3.7Å; R793-D802 PolarHBondContact NH1-OD2 2.98Å; R793-D802 IonicContact NH2-OD1 2.65Å; R793-D802 PolarHBondContact NH2-OD1 3.08Å; R793-D802 IonicContact NH2-OD2 3.72Å; R793-D802 PolarHBondContact NH2-OD2 3.45Å; A797-D802 HydrophobicContact CB-CB 4.14Å; T799-D802 WeakPolarHBondContact O-CB 3.12Å; T799-D802 PolarHBondContact O-N 3.34Å; T799-D802 VanDerWaalsContact O-N 3.12Å; T799-D802 WeakPolarHBondContact OG1-CB 3.16Å; T799-D802 PolarHBondContact OG1-N 2.88Å; T799-D802 VanDerWaalsContact OG1-N 3.14Å; T799-D802 PolarHBondContact OG1-OD1 2.81Å; T799-D802 PolarHBondContact OG1-OD2 2.85Å; F800-D802 VanDerWaalsContact C-N 3.32Å; F800-D802 PolarHBondContact O-N 3.4Å; D802-F805 PolarHBondContact O-N 3.13Å; D802-A806 WeakPolarHBondContact O-CB 3.35Å; D802-A806 PolarHBondContact O-N 3.07Å; D802-Y843 VanDerWaalsContact OD1-CE2 3.28Å; D802-Y843 WeakPolarHBondContact OD1-CE2 3.21Å; D802-Y843 VanDerWaalsContact OD1-CZ 3.27Å; D802-Y843 PolarHBondContact OD1-OH 3.02Å; D802-L855 HydrophobicContact CB-CD2 4.03Å; D802-L855 WeakPolarHBondContact O-CD2 3.46Å
803R95.1Very high94.6Very high115 Ų11533.7 Ų33.743%0.43420%0.202SC..Hα-helixtrans-66.2-39.9-178.8-66.5-176-74157.51112.5D798 T799 F800 S807 L903D798-R803 PolarHBondContact O-NE 3.07Å; T799-R803 PolarHBondContact O-N 3.15Å; F800-R803 PolarHBondContact O-N 3.48Å; R803-S807 WeakPolarHBondContact O-CB 3.09Å; R803-S807 PolarHBondContact O-N 2.95Å; R803-S807 PolarHBondContact O-OG 3.41Å; R803-L903 HydrophobicContact CB-CD1 3.7Å
804V95.6Very high94.8Very high3 Ų334.5 Ų34.52%0.01821%0.21CC..Hα-helixtrans-59.5-53.8171.8166.90000109.8F800 A806 S807 E808 L903 S907F800-V804 HydrophobicContact CD1-CG2 4.17Å; F800-V804 HydrophobicContact CD2-CG2 4.42Å; F800-V804 HydrophobicContact CE1-CG2 3.84Å; F800-V804 HydrophobicContact CE2-CG2 4.1Å; F800-V804 HydrophobicContact CG-CG2 4.45Å; F800-V804 HydrophobicContact CZ-CG2 3.8Å; F800-V804 WeakPolarHBondContact O-CB 3.45Å; F800-V804 VanDerWaalsContact O-CG2 3.26Å; F800-V804 WeakPolarHBondContact O-CG2 3.45Å; F800-V804 PolarHBondContact O-N 3.34Å; V804-A806 PolarHBondContact O-N 3.49Å; V804-S807 WeakPolarHBondContact O-CB 3.45Å; V804-S807 PolarHBondContact O-N 3.01Å; V804-S807 VanDerWaalsContact O-N 3.14Å; V804-E808 HydrophobicContact CG1-CG 4.41Å; V804-E808 WeakPolarHBondContact O-CG 3.34Å; V804-E808 PolarHBondContact O-N 3.33Å; V804-L903 HydrophobicContact CG2-CB 4.13Å; V804-L903 HydrophobicContact CG2-CD2 4.47Å; V804-S907 VanDerWaalsContact CG1-CB 3.43Å; V804-S907 WeakPolarHBondContact CG1-OG 3.45Å
805F96.9Very high95.1Very high4 Ų435.6 Ų35.62%0.01821%0.208CC..Hα-helixtrans-63.5-41.2-176.2-177.1-132.3000112N801 D802 S807 E808 I809 K840 Y843 L855 F859N801-F805 VanDerWaalsContact O-CB 3.28Å; N801-F805 WeakPolarHBondContact O-CB 3.34Å; N801-F805 PolarHBondContact O-N 2.85Å; D802-F805 PolarHBondContact O-N 3.13Å; F805-S807 VanDerWaalsContact C-N 3.32Å; F805-S807 PolarHBondContact O-N 3.48Å; F805-E808 PolarHBondContact O-N 3.08Å; F805-I809 HydrophobicContact CD1-CD1 3.91Å; F805-I809 HydrophobicContact CD2-CD1 4.22Å; F805-I809 HydrophobicContact CD2-CG1 4.14Å; F805-I809 HydrophobicContact CE1-CD1 3.65Å; F805-I809 HydrophobicContact CE1-CG1 4.48Å; F805-I809 HydrophobicContact CE2-CD1 3.96Å; F805-I809 HydrophobicContact CE2-CG1 3.89Å; F805-I809 HydrophobicContact CG-CD1 4.19Å; F805-I809 HydrophobicContact CZ-CD1 3.69Å; F805-I809 HydrophobicContact CZ-CG1 4.09Å; F805-I809 WeakPolarHBondContact O-CG1 3.28Å; F805-I809 PolarHBondContact O-N 2.75Å; F805-K840 HydrophobicContact CE2-CB 4.17Å; F805-K840 HydrophobicContact CZ-CB 4.04Å; F805-K840 HydrophobicContact CZ-CG 4.43Å; F805-Y843 HydrophobicContact CB-CD2 3.66Å; F805-Y843 HydrophobicContact CB-CE2 4.26Å; F805-Y843 HydrophobicContact CB-CG 3.82Å; F805-Y843 AromaticContact CD1-CD1 3.36Å; F805-Y843 HydrophobicContact CD1-CD1 3.36Å; F805-Y843 HydrophobicContact CD1-CD2 4.03Å; F805-Y843 AromaticContact CD1-CE1 3.76Å; F805-Y843 HydrophobicContact CD1-CE1 3.76Å; F805-Y843 HydrophobicContact CD1-CE2 4.38Å; F805-Y843 AromaticContact CD1-CG 3.5Å; F805-Y843 HydrophobicContact CD1-CG 3.5Å; F805-Y843 HydrophobicContact CD2-CG 4.22Å; F805-Y843 AromaticContact CE1-CD1 3.56Å; F805-Y843 HydrophobicContact CE1-CD1 3.56Å; F805-Y843 HydrophobicContact CE1-CE1 4.06Å; F805-Y843 HydrophobicContact CE1-CG 4.07Å; F805-Y843 AromaticContact CG-CD1 3.96Å; F805-Y843 HydrophobicContact CG-CD1 3.96Å; F805-Y843 AromaticContact CG-CD2 3.98Å; F805-Y843 HydrophobicContact CG-CD2 3.98Å; F805-Y843 AromaticContact CG-CG 3.59Å; F805-Y843 HydrophobicContact CG-CG 3.59Å; F805-Y843 HydrophobicContact CZ-CD1 4.3Å; F805-L855 HydrophobicContact CB-CD2 4.29Å; F805-L855 HydrophobicContact CD1-CD2 3.62Å; F805-L855 HydrophobicContact CD1-CG 3.76Å; F805-L855 HydrophobicContact CE1-CD2 4.49Å; F805-L855 HydrophobicContact CE1-CG 4.2Å; F805-L855 HydrophobicContact CG-CD2 4.42Å; F805-F859 HydrophobicContact CE1-CB 4.18Å; F805-F859 HydrophobicContact CE1-CD2 4.39Å; F805-F859 HydrophobicContact CE1-CG 4.45Å; F805-F859 AromaticContact CE2-CD2 3.97Å; F805-F859 HydrophobicContact CE2-CD2 3.97Å; F805-F859 HydrophobicContact CE2-CE2 4.31Å; F805-F859 HydrophobicContact CZ-CB 3.99Å; F805-F859 AromaticContact CZ-CD2 3.42Å; F805-F859 HydrophobicContact CZ-CD2 3.42Å; F805-F859 VanDerWaalsContact CZ-CD2 3.42Å; F805-F859 HydrophobicContact CZ-CE2 4.09Å; F805-F859 AromaticContact CZ-CG 3.79Å; F805-F859 HydrophobicContact CZ-CG 3.79Å
806A96.6Very high95.4Very high26 Ų2633.3 Ų33.322%0.21518%0.184CC..Hα-helixtrans-57.9-43.8173.500000112.4D802 V804 I809 N810 L855D802-A806 WeakPolarHBondContact O-CB 3.35Å; D802-A806 PolarHBondContact O-N 3.07Å; V804-A806 PolarHBondContact O-N 3.49Å; A806-I809 PolarHBondContact O-N 2.59Å; A806-N810 PolarHBondContact O-N 3.43Å; A806-N810 VanDerWaalsContact O-N 3.11Å; A806-N810 PolarHBondContact O-ND2 3.35Å; A806-N810 VanDerWaalsContact O-ND2 3.15Å; A806-L855 HydrophobicContact CB-CD1 3.93Å
807S96.3Very high95.7Very high10 Ų1030.5 Ų30.57%0.0716%0.162CC..Hα-helixtrans-65.8-40.6177.1-61.40000112R803 V804 F805 N810 A811R803-S807 WeakPolarHBondContact O-CB 3.09Å; R803-S807 PolarHBondContact O-N 2.95Å; R803-S807 PolarHBondContact O-OG 3.41Å; V804-S807 WeakPolarHBondContact O-CB 3.45Å; V804-S807 PolarHBondContact O-N 3.01Å; V804-S807 VanDerWaalsContact O-N 3.14Å; F805-S807 VanDerWaalsContact C-N 3.32Å; F805-S807 PolarHBondContact O-N 3.48Å; S807-N810 PolarHBondContact O-N 2.92Å; S807-A811 WeakPolarHBondContact O-CB 3.45Å; S807-A811 PolarHBondContact O-N 3.07Å
808E96.3Very high95.9Very high21 Ų2133 Ų3310%0.09817%0.167CC..Hα-helixtrans-65.9-40176.5-71.5-170.415700112.9V804 F805 N810 A811 G812 S839 K842 I904V804-E808 HydrophobicContact CG1-CG 4.41Å; V804-E808 WeakPolarHBondContact O-CG 3.34Å; V804-E808 PolarHBondContact O-N 3.33Å; F805-E808 PolarHBondContact O-N 3.08Å; E808-N810 VanDerWaalsContact C-N 3.32Å; E808-N810 PolarHBondContact O-N 3.21Å; E808-A811 PolarHBondContact O-N 3.24Å; E808-G812 PolarHBondContact O-N 2.9Å; E808-S839 WeakPolarHBondContact OE2-CB 3.39Å; E808-S839 PolarHBondContact OE2-OG 2.92Å; E808-K842 IonicContact OE1-NZ 2.67Å; E808-K842 PolarHBondContact OE1-NZ 2.99Å; E808-K842 VanDerWaalsContact OE2-CE 3.25Å; E808-K842 WeakPolarHBondContact OE2-CE 3.45Å; E808-K842 IonicContact OE2-NZ 3.82Å; E808-K842 PolarHBondContact OE2-NZ 2.95Å; E808-K842 VanDerWaalsContact OE2-NZ 3.13Å; E808-I904 HydrophobicContact CG-CD1 4.26Å; E808-I904 HydrophobicContact CG-CG1 3.87Å; E808-I904 HydrophobicContact CG-CG2 4.41Å
809I96.7Very high96.3Very high1 Ų130.5 Ų30.51%0.00515%0.152CC..Hα-helixtrans-58.4-48173.2-69.8170000109.8F805 A806 G812 I813 F836 L855 F859F805-I809 HydrophobicContact CD1-CD1 3.91Å; F805-I809 HydrophobicContact CD2-CD1 4.22Å; F805-I809 HydrophobicContact CD2-CG1 4.14Å; F805-I809 HydrophobicContact CE1-CD1 3.65Å; F805-I809 HydrophobicContact CE1-CG1 4.48Å; F805-I809 HydrophobicContact CE2-CD1 3.96Å; F805-I809 HydrophobicContact CE2-CG1 3.89Å; F805-I809 HydrophobicContact CG-CD1 4.19Å; F805-I809 HydrophobicContact CZ-CD1 3.69Å; F805-I809 HydrophobicContact CZ-CG1 4.09Å; F805-I809 WeakPolarHBondContact O-CG1 3.28Å; F805-I809 PolarHBondContact O-N 2.75Å; A806-I809 PolarHBondContact O-N 2.59Å; I809-G812 PolarHBondContact O-N 3.11Å; I809-I813 HydrophobicContact CG2-CD1 4.15Å; I809-I813 WeakPolarHBondContact O-CG1 3.48Å; I809-I813 PolarHBondContact O-N 3.19Å; I809-F836 HydrophobicContact CB-CZ 4.33Å; I809-F836 HydrophobicContact CG1-CZ 4.44Å; I809-F836 HydrophobicContact CG2-CE2 4.27Å; I809-F836 HydrophobicContact CG2-CZ 3.73Å; I809-F836 WeakPolarHBondContact O-CE2 3.45Å; I809-L855 HydrophobicContact CD1-CD1 4.4Å; I809-F859 HydrophobicContact CD1-CB 4.01Å; I809-F859 HydrophobicContact CD1-CD2 4.04Å; I809-F859 HydrophobicContact CG1-CD2 4.02Å
810N96.9Very high96.5Very high10 Ų1029 Ų295%0.05314%0.142CC..Hα-helixtrans-64.4-43.2-179.9-64.2-27.2000111.5A806 S807 E808 G812 I813 L814 R862 A896 G897 P898 V899A806-N810 PolarHBondContact O-N 3.43Å; A806-N810 VanDerWaalsContact O-N 3.11Å; A806-N810 PolarHBondContact O-ND2 3.35Å; A806-N810 VanDerWaalsContact O-ND2 3.15Å; S807-N810 PolarHBondContact O-N 2.92Å; E808-N810 VanDerWaalsContact C-N 3.32Å; E808-N810 PolarHBondContact O-N 3.21Å; N810-G812 VanDerWaalsContact C-N 3.35Å; N810-G812 PolarHBondContact O-N 3.08Å; N810-I813 PolarHBondContact O-N 3.06Å; N810-L814 WeakPolarHBondContact O-CG 3.47Å; N810-L814 PolarHBondContact O-N 3.33Å; N810-L814 VanDerWaalsContact O-N 3.12Å; N810-R862 PolarHBondContact OD1-NH1 3.07Å; N810-A896 HydrophobicContact CB-CB 4.32Å; N810-G897 VanDerWaalsContact ND2-C 3.32Å; N810-G897 VanDerWaalsContact ND2-CA 3.35Å; N810-G897 WeakPolarHBondContact ND2-CA 3.18Å; N810-G897 PolarHBondContact OD1-N 3.19Å; N810-P898 PolarHBondContact ND2-O 3.49Å; N810-V899 HydrophobicContact CB-CG2 3.76Å
811A95.8Very high96.7Very high13 Ų1333.5 Ų33.511%0.10716%0.163CC..Hα-helixtrans-62.8-40.9175.700000112S807 E808 L814 K815 V899 I904S807-A811 WeakPolarHBondContact O-CB 3.45Å; S807-A811 PolarHBondContact O-N 3.07Å; E808-A811 PolarHBondContact O-N 3.24Å; A811-L814 PolarHBondContact O-N 3.15Å; A811-K815 WeakPolarHBondContact O-CG 3.2Å; A811-K815 PolarHBondContact O-N 2.92Å; A811-V899 HydrophobicContact CB-CG1 3.92Å; A811-V899 HydrophobicContact CB-CG2 4.19Å; A811-I904 HydrophobicContact CB-CD1 3.96Å
812G97.2Very high96.7Very high10 Ų1040.3 Ų40.310%0.10319%0.187CC..Hα-helixtrans-62.1-41.1175.600000112.5E808 I809 N810 T816E808-G812 PolarHBondContact O-N 2.9Å; I809-G812 PolarHBondContact O-N 3.11Å; N810-G812 VanDerWaalsContact C-N 3.35Å; N810-G812 PolarHBondContact O-N 3.08Å; G812-T816 VanDerWaalsContact O-CB 3.23Å; G812-T816 WeakPolarHBondContact O-CB 3.43Å; G812-T816 PolarHBondContact O-N 3.16Å; G812-T816 PolarHBondContact O-OG1 3.3Å
813I97.8Very high96.8Very high0 Ų040.6 Ų40.60%019%0.189CC..Hα-helixtrans-60.2-52174.3-69.8163.2000110.6I809 N810 K815 T816 E817 F836 R862 L866 P894 A896I809-I813 HydrophobicContact CG2-CD1 4.15Å; I809-I813 WeakPolarHBondContact O-CG1 3.48Å; I809-I813 PolarHBondContact O-N 3.19Å; N810-I813 PolarHBondContact O-N 3.06Å; I813-K815 PolarHBondContact O-N 2.64Å; I813-T816 PolarHBondContact O-N 3.34Å; I813-E817 WeakPolarHBondContact O-CB 3.29Å; I813-E817 PolarHBondContact O-N 2.92Å; I813-F836 HydrophobicContact CG1-CE2 4.47Å; I813-F836 HydrophobicContact CG1-CZ 4.44Å; I813-R862 HydrophobicContact CD1-CB 4.36Å; I813-R862 HydrophobicContact CD1-CG 4.05Å; I813-L866 HydrophobicContact CG1-CD1 4.13Å; I813-L866 HydrophobicContact CG1-CD2 4.39Å; I813-P894 HydrophobicContact CD1-CB 4.08Å; I813-P894 HydrophobicContact CD1-CG 4.33Å; I813-P894 HydrophobicContact CG1-CG 4.25Å; I813-P894 HydrophobicContact CG2-CG 4.18Å; I813-P894 WeakPolarHBondContact CG2-O 3.17Å; I813-A896 HydrophobicContact CB-CB 4.24Å; I813-A896 HydrophobicContact CG2-CB 4.04Å
814L97.3Very high96.9Very high69 Ų6938.4 Ų38.436%0.36118%0.184SC..Hα-helixtrans-62.2-43.5-177.2-68.4175000112.2N810 A811 E817 Q818 A896 V899N810-L814 WeakPolarHBondContact O-CG 3.47Å; N810-L814 PolarHBondContact O-N 3.33Å; N810-L814 VanDerWaalsContact O-N 3.12Å; A811-L814 PolarHBondContact O-N 3.15Å; L814-E817 PolarHBondContact O-N 2.9Å; L814-Q818 WeakPolarHBondContact O-CG 3.25Å; L814-Q818 PolarHBondContact O-N 3.07Å; L814-Q818 VanDerWaalsContact O-N 3.13Å; L814-A896 HydrophobicContact CD1-CB 4.35Å; L814-A896 HydrophobicContact CD2-CB 3.77Å; L814-A896 HydrophobicContact CG-CB 3.75Å; L814-V899 HydrophobicContact CD1-CG2 3.9Å
815K97.1Very high97Very high108 Ų10838.3 Ų38.347%0.4718%0.184SC..Hα-helixtrans-62.1-45.6175.6-73.7177.6-178.1178.40111.6A811 I813 E817 Q818 H819A811-K815 WeakPolarHBondContact O-CG 3.2Å; A811-K815 PolarHBondContact O-N 2.92Å; I813-K815 PolarHBondContact O-N 2.64Å; K815-E817 VanDerWaalsContact C-N 3.32Å; K815-E817 PolarHBondContact O-N 3.25Å; K815-Q818 PolarHBondContact O-N 3.16Å; K815-H819 PolarHBondContact O-CD2 2.73Å; K815-H819 PolarHBondContact O-N 3.1Å
816T98.2Very high97.1Very high0 Ų041.8 Ų41.80%020%0.199CC..Hα-helixtrans-64.3-39.7-179.3-56.50000111.6G812 I813 H819 Y820 A828 S831 G832 L866 W893G812-T816 VanDerWaalsContact O-CB 3.23Å; G812-T816 WeakPolarHBondContact O-CB 3.43Å; G812-T816 PolarHBondContact O-N 3.16Å; G812-T816 PolarHBondContact O-OG1 3.3Å; I813-T816 PolarHBondContact O-N 3.34Å; T816-H819 PolarHBondContact O-N 3.46Å; T816-Y820 HydrophobicContact CG2-CD2 3.69Å; T816-Y820 HydrophobicContact CG2-CE2 3.58Å; T816-Y820 WeakPolarHBondContact O-CD2 3.3Å; T816-Y820 PolarHBondContact O-N 3.46Å; T816-A828 HydrophobicContact CG2-CB 4.46Å; T816-S831 WeakPolarHBondContact CA-OG 3.49Å; T816-S831 PolarHBondContact OG1-OG 2.99Å; T816-G832 WeakPolarHBondContact OG1-CA 3.24Å; T816-G832 PolarHBondContact OG1-N 3.1Å; T816-G832 VanDerWaalsContact OG1-N 3.14Å; T816-L866 HydrophobicContact CG2-CD2 4.02Å; T816-W893 HydrophobicContact CG2-CH2 4.21Å
817E97.7Very high97.1Very high35 Ų3543.9 Ų43.916%0.16420%0.204CC..Hα-helixtrans-58.3-50.3173.8-176.4169.1-147.700111.5Y77 K81 I813 L814 K815 H819 Y820 E821 W893Y77-E817 WeakPolarHBondContact OH-CG 2.98Å; K81-E817 IonicContact NZ-OE1 3.14Å; K81-E817 PolarHBondContact NZ-OE1 3.06Å; I813-E817 WeakPolarHBondContact O-CB 3.29Å; I813-E817 PolarHBondContact O-N 2.92Å; L814-E817 PolarHBondContact O-N 2.9Å; K815-E817 VanDerWaalsContact C-N 3.32Å; K815-E817 PolarHBondContact O-N 3.25Å; E817-H819 VanDerWaalsContact C-N 3.29Å; E817-H819 PolarHBondContact O-N 3.43Å; E817-Y820 PolarHBondContact O-N 3.04Å; E817-E821 WeakPolarHBondContact O-CG 3.48Å; E817-E821 PolarHBondContact O-N 3.07Å; E817-W893 HydrophobicContact CB-CZ2 3.89Å
818Q96.9Very high97.2Very high100 Ų10043.4 Ų43.447%0.46720%0.201SC..Hα-helixtrans-58.7-39.1177.1-691731300112.6L814 K815 R822L814-Q818 WeakPolarHBondContact O-CG 3.25Å; L814-Q818 PolarHBondContact O-N 3.07Å; L814-Q818 VanDerWaalsContact O-N 3.13Å; K815-Q818 PolarHBondContact O-N 3.16Å; Q818-R822 WeakPolarHBondContact O-CG 3.25Å; Q818-R822 PolarHBondContact O-N 3.47Å
819H98.1Very high97.3Very high45 Ų4542.5 Ų42.521%0.20820%0.197CC..Hα-helixtrans-69.8-39.3177.9-69.3-51.1000112.5K815 T816 E817 R822 M823 M824 E827 A828K815-H819 PolarHBondContact O-CD2 2.73Å; K815-H819 PolarHBondContact O-N 3.1Å; T816-H819 PolarHBondContact O-N 3.46Å; E817-H819 VanDerWaalsContact C-N 3.29Å; E817-H819 PolarHBondContact O-N 3.43Å; H819-R822 PolarHBondContact O-N 3.15Å; H819-M823 PolarHBondContact O-N 2.9Å; H819-M823 VanDerWaalsContact O-N 3.17Å; H819-M824 HydrophobicContact CB-CB 4.49Å; H819-M824 PolarHBondContact O-N 3.49Å; H819-E827 HydrophobicContact CB-CB 4.31Å; H819-E827 WeakPolarHBondContact ND1-CB 3.33Å; H819-A828 HydrophobicContact CB-CB 3.76Å
820Y98.1Very high97.4Very high4 Ų446.8 Ų46.82%0.01622%0.215CC..Hα-helixtrans-66-41.8174.1-87.6-61.7000112.7Y77 T816 E817 R822 M823 Y825 A828 L866 P869 I870 W893Y77-Y820 HydrophobicContact CD2-CD1 4.39Å; Y77-Y820 AromaticContact CD2-CD2 3.97Å; Y77-Y820 HydrophobicContact CD2-CD2 3.97Å; Y77-Y820 AromaticContact CD2-CG 3.74Å; Y77-Y820 HydrophobicContact CD2-CG 3.74Å; Y77-Y820 HydrophobicContact CE2-CD2 4.44Å; Y77-Y820 HydrophobicContact CE2-CG 4.29Å; Y77-Y820 HydrophobicContact CG-CD1 4.15Å; Y77-Y820 AromaticContact CG-CG 3.88Å; Y77-Y820 HydrophobicContact CG-CG 3.88Å; T816-Y820 HydrophobicContact CG2-CD2 3.69Å; T816-Y820 HydrophobicContact CG2-CE2 3.58Å; T816-Y820 WeakPolarHBondContact O-CD2 3.3Å; T816-Y820 PolarHBondContact O-N 3.46Å; E817-Y820 PolarHBondContact O-N 3.04Å; Y820-R822 VanDerWaalsContact C-N 3.26Å; Y820-R822 PolarHBondContact O-N 3.38Å; Y820-M823 PolarHBondContact O-N 3.1Å; Y820-Y825 AromaticContact CD1-CD1 3.82Å; Y820-Y825 HydrophobicContact CD1-CD1 3.82Å; Y820-Y825 AromaticContact CD1-CE1 3.78Å; Y820-Y825 HydrophobicContact CD1-CE1 3.78Å; Y820-Y825 AromaticContact CE1-CD1 3.74Å; Y820-Y825 HydrophobicContact CE1-CD1 3.74Å; Y820-Y825 HydrophobicContact CE1-CE1 4.02Å; Y820-A828 HydrophobicContact CD1-CB 4.22Å; Y820-A828 HydrophobicContact CD2-CB 4Å; Y820-A828 HydrophobicContact CE1-CB 4.17Å; Y820-A828 HydrophobicContact CE2-CB 3.96Å; Y820-A828 HydrophobicContact CG-CB 4.11Å; Y820-L866 PolarHBondContact OH-O 3.25Å; Y820-P869 HydrophobicContact CE1-CB 3.97Å; Y820-P869 HydrophobicContact CE1-CG 4.23Å; Y820-P869 HydrophobicContact CE2-CG 4.45Å; Y820-I870 VanDerWaalsContact OH-CD1 3.31Å; Y820-I870 WeakPolarHBondContact OH-CD1 3.17Å; Y820-I870 WeakPolarHBondContact OH-CG1 3.04Å; Y820-W893 AromaticContact CD2-CH2 3.63Å; Y820-W893 HydrophobicContact CD2-CH2 3.63Å; Y820-W893 HydrophobicContact CD2-CZ3 4.24Å; Y820-W893 AromaticContact CE2-CH2 3.91Å; Y820-W893 HydrophobicContact CE2-CH2 3.91Å; Y820-W893 HydrophobicContact CE2-CZ3 4.37Å
821E95.6Very high97.4Very high109 Ų10946.5 Ų46.551%0.50921%0.214SC..Hα-helixtrans-58.9-39.4175.8-72.4-176.6162.800111.9Y77 E817 M823Y77-E821 HydrophobicContact CE1-CG 4.03Å; Y77-E821 WeakPolarHBondContact OH-CG 3.47Å; E817-E821 WeakPolarHBondContact O-CG 3.48Å; E817-E821 PolarHBondContact O-N 3.07Å; E821-M823 VanDerWaalsContact C-N 3.26Å; E821-M823 PolarHBondContact O-N 3.31Å
822R95.4Very high97.4Very high163 Ų16346 Ų4662%0.61521%0.211SC*.THydrogen-bonded Turntrans-81.91.6176.7-65.3178.6-176179.73114.1Q818 H819 Y820 M824Q818-R822 WeakPolarHBondContact O-CG 3.25Å; Q818-R822 PolarHBondContact O-N 3.47Å; H819-R822 PolarHBondContact O-N 3.15Å; Y820-R822 VanDerWaalsContact C-N 3.26Å; Y820-R822 PolarHBondContact O-N 3.38Å; R822-M824 VanDerWaalsContact C-N 3.26Å; R822-M824 HydrophobicContact CB-CG 4.1Å; R822-M824 PolarHBondContact O-N 3.33Å
823M97.7Very high97.5Very high6 Ų645.7 Ų45.73%0.0321%0.206CC..THydrogen-bonded Turntrans53.240.2-174.8-58.1-166.1172.800113.9Y47 A74 F561 V678 R713 H819 Y820 E821 Y825Y47-M823 WeakPolarHBondContact OH-CE 3.36Å; A74-M823 HydrophobicContact CB-CE 3.73Å; F561-M823 HydrophobicContact CD1-CB 4.43Å; F561-M823 HydrophobicContact CE1-CB 3.89Å; F561-M823 HydrophobicContact CE1-CG 3.72Å; F561-M823 HydrophobicContact CE1-SD 3.76Å; F561-M823 HydrophobicContact CZ-CE 4.24Å; F561-M823 HydrophobicContact CZ-CG 4.18Å; F561-M823 HydrophobicContact CZ-SD 3.65Å; V678-M823 HydrophobicContact CB-CE 4.3Å; V678-M823 HydrophobicContact CG1-CE 3.92Å; V678-M823 HydrophobicContact CG1-SD 4.25Å; V678-M823 HydrophobicContact CG2-CE 3.79Å; R713-M823 PolarHBondContact NE-O 3.27Å; R713-M823 PolarHBondContact NH2-O 3.43Å; H819-M823 PolarHBondContact O-N 2.9Å; H819-M823 VanDerWaalsContact O-N 3.17Å; Y820-M823 PolarHBondContact O-N 3.1Å; E821-M823 VanDerWaalsContact C-N 3.26Å; E821-M823 PolarHBondContact O-N 3.31Å; M823-Y825 HydrophobicContact CB-CE2 3.85Å; M823-Y825 HydrophobicContact CG-CE2 4.48Å; M823-Y825 WeakPolarHBondContact CG-OH 3.4Å
824M97.6Very high97.4Very high70 Ų7048 Ų4835%0.34522%0.216SC..  trans-100.574.2173.7-64.7-66.4179.100109D756 H819 R822 K826 E827 A828D756-M824 HydrophobicContact CB-SD 3.78Å; D756-M824 WeakPolarHBondContact OD2-CA 3.33Å; H819-M824 HydrophobicContact CB-CB 4.49Å; H819-M824 PolarHBondContact O-N 3.49Å; R822-M824 VanDerWaalsContact C-N 3.26Å; R822-M824 HydrophobicContact CB-CG 4.1Å; R822-M824 PolarHBondContact O-N 3.33Å; M824-K826 VanDerWaalsContact C-N 3.32Å; M824-K826 PolarHBondContact O-N 2.91Å; M824-E827 HydrophobicContact CB-CB 4.26Å; M824-E827 PolarHBondContact O-N 3.22Å; M824-A828 WeakPolarHBondContact O-CB 3.29Å; M824-A828 PolarHBondContact O-N 3.43Å
825Y98Very high97.4Very high0 Ų048.4 Ų48.40%022%0.216CC..Hα-helixtrans-67.5-27-171-58-69.1000114.6K70 F73 A74 D756 Y820 M823 L829K70-Y825 HydrophobicContact CB-CE2 3.85Å; K70-Y825 HydrophobicContact CD-CD2 3.42Å; K70-Y825 VanDerWaalsContact CD-CD2 3.42Å; K70-Y825 HydrophobicContact CD-CE2 3.57Å; K70-Y825 HydrophobicContact CG-CE2 4.32Å; K70-Y825 PolarHBondContact O-OH 3.44Å; F73-Y825 HydrophobicContact CB-CD1 3.56Å; F73-Y825 HydrophobicContact CB-CE1 3.28Å; F73-Y825 HydrophobicContact CB-CE2 4.43Å; F73-Y825 HydrophobicContact CB-CG 4.24Å; F73-Y825 AromaticContact CD2-CD1 3.85Å; F73-Y825 HydrophobicContact CD2-CD1 3.85Å; F73-Y825 HydrophobicContact CD2-CD2 4.06Å; F73-Y825 HydrophobicContact CD2-CE1 4.3Å; F73-Y825 HydrophobicContact CD2-CE2 4.48Å; F73-Y825 AromaticContact CD2-CG 3.71Å; F73-Y825 HydrophobicContact CD2-CG 3.71Å; F73-Y825 HydrophobicContact CG-CD1 4.14Å; F73-Y825 HydrophobicContact CG-CE1 4.29Å; F73-Y825 HydrophobicContact CG-CG 4.45Å; A74-Y825 WeakPolarHBondContact CB-OH 3.32Å; A74-Y825 PolarHBondContact N-OH 2.65Å; D756-Y825 VanDerWaalsContact CG-N 3.3Å; D756-Y825 PolarHBondContact OD1-N 3.08Å; D756-Y825 PolarHBondContact OD2-N 2.93Å; Y820-Y825 AromaticContact CD1-CD1 3.82Å; Y820-Y825 HydrophobicContact CD1-CD1 3.82Å; Y820-Y825 AromaticContact CD1-CE1 3.78Å; Y820-Y825 HydrophobicContact CD1-CE1 3.78Å; Y820-Y825 AromaticContact CE1-CD1 3.74Å; Y820-Y825 HydrophobicContact CE1-CD1 3.74Å; Y820-Y825 HydrophobicContact CE1-CE1 4.02Å; M823-Y825 HydrophobicContact CB-CE2 3.85Å; M823-Y825 HydrophobicContact CG-CE2 4.48Å; M823-Y825 WeakPolarHBondContact CG-OH 3.4Å; Y825-L829 VanDerWaalsContact O-CB 3.25Å; Y825-L829 WeakPolarHBondContact O-CB 3.4Å; Y825-L829 PolarHBondContact O-N 3.36Å
826K97.9Very high97.4Very high77 Ų7743.5 Ų43.534%0.33520%0.195SC..Hα-helixtrans-65.5-48.9171.6-179.5174.2-169.9124.80110.9A752 D753 D756 M824 L829 K830A752-K826 WeakPolarHBondContact O-CA 3.15Å; A752-K826 PolarHBondContact O-N 3.02Å; D753-K826 WeakPolarHBondContact O-CD 3.42Å; D753-K826 PolarHBondContact O-NZ 3.18Å; D753-K826 VanDerWaalsContact OD1-CE 3.25Å; D753-K826 WeakPolarHBondContact OD1-CE 3.33Å; D753-K826 IonicContact OD1-NZ 3.5Å; D753-K826 PolarHBondContact OD1-NZ 2.93Å; D756-K826 WeakPolarHBondContact OD2-CA 3.38Å; D756-K826 WeakPolarHBondContact OD2-CB 3.48Å; D756-K826 PolarHBondContact OD2-N 2.81Å; M824-K826 VanDerWaalsContact C-N 3.32Å; M824-K826 PolarHBondContact O-N 2.91Å; K826-L829 PolarHBondContact O-N 2.93Å; K826-K830 WeakPolarHBondContact O-CB 3.34Å; K826-K830 PolarHBondContact O-N 3.15Å
827E97.7Very high97.3Very high70 Ų7044.6 Ų44.633%0.32720%0.2SC..Hα-helixtrans-69.5-36.6176.7-64.1-58.5137.400111.2H819 M824 L829 K830 S831H819-E827 HydrophobicContact CB-CB 4.31Å; H819-E827 WeakPolarHBondContact ND1-CB 3.33Å; M824-E827 HydrophobicContact CB-CB 4.26Å; M824-E827 PolarHBondContact O-N 3.22Å; E827-L829 VanDerWaalsContact C-N 3.3Å; E827-L829 PolarHBondContact O-N 2.95Å; E827-K830 WeakPolarHBondContact O-CB 3.41Å; E827-K830 PolarHBondContact O-N 3.27Å; E827-K830 WeakPolarHBondContact OE2-CD 3.14Å; E827-K830 IonicContact OE2-NZ 2.73Å; E827-S831 PolarHBondContact O-N 3.02Å; E827-S831 PolarHBondContact O-OG 3.21Å
828A98.1Very high97.3Very high1 Ų145.6 Ų45.61%0.00821%0.214CC..Hα-helixtrans-62-38.5172.900000111.7T816 H819 Y820 M824 S831 G832T816-A828 HydrophobicContact CG2-CB 4.46Å; H819-A828 HydrophobicContact CB-CB 3.76Å; Y820-A828 HydrophobicContact CD1-CB 4.22Å; Y820-A828 HydrophobicContact CD2-CB 4Å; Y820-A828 HydrophobicContact CE1-CB 4.17Å; Y820-A828 HydrophobicContact CE2-CB 3.96Å; Y820-A828 HydrophobicContact CG-CB 4.11Å; M824-A828 WeakPolarHBondContact O-CB 3.29Å; M824-A828 PolarHBondContact O-N 3.43Å; A828-S831 PolarHBondContact O-OG 3.46Å; A828-G832 VanDerWaalsContact O-CA 3.28Å; A828-G832 WeakPolarHBondContact O-CA 3.2Å; A828-G832 PolarHBondContact O-N 2.64Å
829L98.1Very high97.2Very high1 Ų141.9 Ų41.91%0.00520%0.2CC..Hα-helixtrans-69.3-38.2174.1-178.663.2000111.8L749 A752 D753 Y825 K826 E827 F833 F834 L867 I870L749-L829 HydrophobicContact CD1-CD1 3.43Å; L749-L829 VanDerWaalsContact CD1-CD1 3.43Å; L749-L829 HydrophobicContact CD1-CD2 3.92Å; L749-L829 HydrophobicContact CD1-CG 4.32Å; L749-L829 HydrophobicContact CG-CD2 4.31Å; A752-L829 HydrophobicContact CB-CD2 4.2Å; D753-L829 HydrophobicContact CB-CD2 4.09Å; Y825-L829 VanDerWaalsContact O-CB 3.25Å; Y825-L829 WeakPolarHBondContact O-CB 3.4Å; Y825-L829 PolarHBondContact O-N 3.36Å; K826-L829 PolarHBondContact O-N 2.93Å; E827-L829 VanDerWaalsContact C-N 3.3Å; E827-L829 PolarHBondContact O-N 2.95Å; L829-F833 HydrophobicContact CD1-CB 3.71Å; L829-F833 HydrophobicContact CD1-CD1 4.11Å; L829-F833 HydrophobicContact CD1-CG 4.21Å; L829-F833 WeakPolarHBondContact O-CB 3.3Å; L829-F833 PolarHBondContact O-N 2.85Å; L829-F834 HydrophobicContact CD2-CE2 3.81Å; L829-F834 HydrophobicContact CD2-CZ 4.45Å; L829-F834 HydrophobicContact CG-CD2 4.14Å; L829-F834 HydrophobicContact CG-CE2 3.74Å; L829-F834 PolarHBondContact O-N 2.87Å; L829-F834 VanDerWaalsContact O-N 3.17Å; L829-L867 HydrophobicContact CD1-CD1 4.28Å; L829-I870 HydrophobicContact CB-CD1 4.07Å; L829-I870 HydrophobicContact CD1-CD1 3.99Å
830K97.7Very high97.2Very high92 Ų9240 Ų4040%0.419%0.191SC..Iπ-helixtrans-60.1-55.8174.6-175.5-175169.7-164.40111.7K826 E827 F834 E835K826-K830 WeakPolarHBondContact O-CB 3.34Å; K826-K830 PolarHBondContact O-N 3.15Å; E827-K830 WeakPolarHBondContact O-CB 3.41Å; E827-K830 PolarHBondContact O-N 3.27Å; E827-K830 WeakPolarHBondContact OE2-CD 3.14Å; E827-K830 IonicContact OE2-NZ 2.73Å; K830-F834 PolarHBondContact O-N 3.48Å; K830-E835 WeakPolarHBondContact CE-OE1 3.16Å; K830-E835 HydrophobicContact CG-CG 4.33Å; K830-E835 WeakPolarHBondContact O-CB 3.39Å; K830-E835 WeakPolarHBondContact O-CG 3.45Å; K830-E835 PolarHBondContact O-N 2.72Å
831S97.4Very high97.1Very high4 Ų443.8 Ų43.83%0.02821%0.211CC..Iπ-helixtrans-71.8-41.3-179.164.70000112.6T816 E827 A828T816-S831 WeakPolarHBondContact CA-OG 3.49Å; T816-S831 PolarHBondContact OG1-OG 2.99Å; E827-S831 PolarHBondContact O-N 3.02Å; E827-S831 PolarHBondContact O-OG 3.21Å; A828-S831 PolarHBondContact O-OG 3.46Å
832G96.8Very high97.1Very high3 Ų340 Ų403%0.03119%0.193CC..Iπ-helixtrans-87.3-10-170.100000115.1T816 A828 Q863T816-G832 WeakPolarHBondContact OG1-CA 3.24Å; T816-G832 PolarHBondContact OG1-N 3.1Å; T816-G832 VanDerWaalsContact OG1-N 3.14Å; A828-G832 VanDerWaalsContact O-CA 3.28Å; A828-G832 WeakPolarHBondContact O-CA 3.2Å; A828-G832 PolarHBondContact O-N 2.64Å; G832-Q863 PolarHBondContact O-NE2 3.4Å
833F97.9Very high97.1Very high2 Ų232.5 Ų32.51%0.00917%0.165CC..Iπ-helixtrans-135.1-58.9176.4-176.1-114.7000112.1R774 L775 L829 F836 Q837 L867R774-F833 HydrophobicContact CB-CE1 4.28Å; R774-F833 HydrophobicContact CB-CZ 4.2Å; L775-F833 HydrophobicContact CD2-CE2 4.49Å; L775-F833 HydrophobicContact CD2-CZ 4.16Å; L829-F833 HydrophobicContact CD1-CB 3.71Å; L829-F833 HydrophobicContact CD1-CD1 4.11Å; L829-F833 HydrophobicContact CD1-CG 4.21Å; L829-F833 WeakPolarHBondContact O-CB 3.3Å; L829-F833 PolarHBondContact O-N 2.85Å; F833-F836 PolarHBondContact O-N 3.01Å; F833-Q837 HydrophobicContact CD2-CG 4.27Å; F833-Q837 HydrophobicContact CE2-CG 4.17Å; F833-Q837 WeakPolarHBondContact O-CB 3.48Å; F833-Q837 WeakPolarHBondContact O-CG 3.37Å; F833-Q837 PolarHBondContact O-N 3.1Å; F833-L867 HydrophobicContact CB-CD1 4.38Å; F833-L867 HydrophobicContact CD2-CD1 4.17Å; F833-L867 HydrophobicContact CD2-CD2 4Å; F833-L867 HydrophobicContact CE2-CD2 3.98Å; F833-L867 HydrophobicContact CG-CD1 4.28Å
834F96.9Very high97Very high48 Ų4837.7 Ų37.721%0.21118%0.184CC..Iπ-helixtrans-67.2-51.3-173-68-62.5000113.3M767 L829 K830 F836 A838M767-F834 HydrophobicContact CE-CE2 4.22Å; M767-F834 HydrophobicContact CE-CZ 3.72Å; L829-F834 HydrophobicContact CD2-CE2 3.81Å; L829-F834 HydrophobicContact CD2-CZ 4.45Å; L829-F834 HydrophobicContact CG-CD2 4.14Å; L829-F834 HydrophobicContact CG-CE2 3.74Å; L829-F834 PolarHBondContact O-N 2.87Å; L829-F834 VanDerWaalsContact O-N 3.17Å; K830-F834 PolarHBondContact O-N 3.48Å; F834-F836 VanDerWaalsContact C-N 3.35Å; F834-A838 PolarHBondContact O-N 2.88Å; F834-A838 VanDerWaalsContact O-N 3.08Å
835E96.6Very high96.7Very high79 Ų7938.8 Ų38.837%0.36919%0.188SC..Iπ-helixtrans-69.3-35.8176.2-67.3177.6178.300111.1K830 Q837 A838 S839K830-E835 WeakPolarHBondContact CE-OE1 3.16Å; K830-E835 HydrophobicContact CG-CG 4.33Å; K830-E835 WeakPolarHBondContact O-CB 3.39Å; K830-E835 WeakPolarHBondContact O-CG 3.45Å; K830-E835 PolarHBondContact O-N 2.72Å; E835-Q837 PolarHBondContact O-N 3.44Å; E835-A838 WeakPolarHBondContact O-CA 3.48Å; E835-A838 WeakPolarHBondContact O-CB 3.22Å; E835-A838 PolarHBondContact O-N 3.22Å; E835-A838 VanDerWaalsContact O-N 3.11Å; E835-S839 PolarHBondContact O-N 3.13Å
836F96.7Very high96.4Very high4 Ų439 Ų392%0.01819%0.19CC..Hα-helixtrans-61.5-44.8176.5-141.3-109.3000112I809 I813 F833 F834 A838 S839 K840 F859 R862 Q863 L866I809-F836 HydrophobicContact CB-CZ 4.33Å; I809-F836 HydrophobicContact CG1-CZ 4.44Å; I809-F836 HydrophobicContact CG2-CE2 4.27Å; I809-F836 HydrophobicContact CG2-CZ 3.73Å; I809-F836 WeakPolarHBondContact O-CE2 3.45Å; I813-F836 HydrophobicContact CG1-CE2 4.47Å; I813-F836 HydrophobicContact CG1-CZ 4.44Å; F833-F836 PolarHBondContact O-N 3.01Å; F834-F836 VanDerWaalsContact C-N 3.35Å; F836-A838 VanDerWaalsContact C-N 3.34Å; F836-S839 PolarHBondContact O-N 3.39Å; F836-K840 PolarHBondContact O-N 3.01Å; F836-K840 VanDerWaalsContact O-N 3.14Å; F836-F859 AromaticContact CD1-CD2 3.88Å; F836-F859 HydrophobicContact CD1-CD2 3.88Å; F836-F859 AromaticContact CD1-CE2 3.12Å; F836-F859 HydrophobicContact CD1-CE2 3.12Å; F836-F859 AromaticContact CD1-CZ 3.57Å; F836-F859 HydrophobicContact CD1-CZ 3.57Å; F836-F859 AromaticContact CE1-CD2 3.62Å; F836-F859 HydrophobicContact CE1-CD2 3.62Å; F836-F859 AromaticContact CE1-CE2 3.38Å; F836-F859 HydrophobicContact CE1-CE2 3.38Å; F836-F859 HydrophobicContact CE1-CZ 4.1Å; F836-F859 AromaticContact CG-CE2 3.95Å; F836-F859 HydrophobicContact CG-CE2 3.95Å; F836-F859 HydrophobicContact CG-CZ 4.48Å; F836-F859 HydrophobicContact CZ-CD2 4.44Å; F836-F859 HydrophobicContact CZ-CE2 4.39Å; F836-F859 VanDerWaalsContact O-CE2 3.32Å; F836-F859 WeakPolarHBondContact O-CE2 3.41Å; F836-R862 HydrophobicContact CE1-CB 4.36Å; F836-R862 HydrophobicContact CZ-CB 4.21Å; F836-Q863 HydrophobicContact CD1-CB 3.92Å; F836-Q863 HydrophobicContact CD1-CG 4.39Å; F836-Q863 HydrophobicContact CE1-CB 3.93Å; F836-L866 HydrophobicContact CD1-CD1 4.48Å; F836-L866 HydrophobicContact CD2-CD1 4.08Å; F836-L866 HydrophobicContact CE1-CD1 4.16Å; F836-L866 HydrophobicContact CE2-CD1 3.71Å; F836-L866 HydrophobicContact CG-CD1 4.43Å; F836-L866 HydrophobicContact CZ-CD1 3.72Å
837Q97Very high96.2Very high23 Ų2336 Ų3611%0.10718%0.18CC..Hα-helixtrans-64.2-38.2171.8-69.1-64.6-47.300111.6W778 F833 E835 S839 K840 D841W778-Q837 VanDerWaalsContact CE3-NE2 3.29Å; F833-Q837 HydrophobicContact CD2-CG 4.27Å; F833-Q837 HydrophobicContact CE2-CG 4.17Å; F833-Q837 WeakPolarHBondContact O-CB 3.48Å; F833-Q837 WeakPolarHBondContact O-CG 3.37Å; F833-Q837 PolarHBondContact O-N 3.1Å; E835-Q837 PolarHBondContact O-N 3.44Å; Q837-S839 PolarHBondContact O-N 3.06Å; Q837-K840 WeakPolarHBondContact O-CB 3.42Å; Q837-K840 PolarHBondContact O-N 2.61Å; Q837-K840 VanDerWaalsContact OE1-CE 3.25Å; Q837-D841 WeakPolarHBondContact O-CB 3.22Å; Q837-D841 PolarHBondContact O-N 3.33Å
838A96.4Very high95.7Very high56 Ų5636.9 Ų36.946%0.46319%0.185SC..Hα-helixtrans-62.7-41.3176.500000112.4F834 E835 F836 D841 K842F834-A838 PolarHBondContact O-N 2.88Å; F834-A838 VanDerWaalsContact O-N 3.08Å; E835-A838 WeakPolarHBondContact O-CA 3.48Å; E835-A838 WeakPolarHBondContact O-CB 3.22Å; E835-A838 PolarHBondContact O-N 3.22Å; E835-A838 VanDerWaalsContact O-N 3.11Å; F836-A838 VanDerWaalsContact C-N 3.34Å; A838-D841 PolarHBondContact O-N 2.92Å; A838-K842 VanDerWaalsContact O-CB 3.29Å; A838-K842 WeakPolarHBondContact O-CB 3.47Å; A838-K842 PolarHBondContact O-N 3.4Å
839S96.4Very high95Very high23 Ų2344.2 Ų44.216%0.16122%0.219CC..Hα-helixtrans-62.1-41.1172.9-80.50000112.1E808 E835 F836 Q837 K842 Y843E808-S839 WeakPolarHBondContact OE2-CB 3.39Å; E808-S839 PolarHBondContact OE2-OG 2.92Å; E835-S839 PolarHBondContact O-N 3.13Å; F836-S839 PolarHBondContact O-N 3.39Å; Q837-S839 PolarHBondContact O-N 3.06Å; S839-K842 PolarHBondContact O-N 3.43Å; S839-Y843 WeakPolarHBondContact O-CB 3.45Å; S839-Y843 PolarHBondContact O-N 3.21Å
840K96.9Very high94.6Very high6 Ų645.6 Ų45.63%0.02623%0.234CC..Hα-helixtrans-65.3-44.6175.5178.4-144.168.171.70112.2W778 W781 F805 F836 Q837 K842 Y843 R844 F859W778-K840 HydrophobicContact CZ3-CD 4.25Å; W781-K840 HydrophobicContact CD2-CD 4.37Å; W781-K840 HydrophobicContact CE3-CD 4.25Å; W781-K840 HydrophobicContact CH2-CD 3.69Å; W781-K840 HydrophobicContact CH2-CG 4.03Å; W781-K840 HydrophobicContact CZ2-CD 3.86Å; W781-K840 HydrophobicContact CZ2-CG 4.17Å; W781-K840 HydrophobicContact CZ3-CD 3.91Å; F805-K840 HydrophobicContact CE2-CB 4.17Å; F805-K840 HydrophobicContact CZ-CB 4.04Å; F805-K840 HydrophobicContact CZ-CG 4.43Å; F836-K840 PolarHBondContact O-N 3.01Å; F836-K840 VanDerWaalsContact O-N 3.14Å; Q837-K840 WeakPolarHBondContact O-CB 3.42Å; Q837-K840 PolarHBondContact O-N 2.61Å; Q837-K840 VanDerWaalsContact OE1-CE 3.25Å; K840-K842 VanDerWaalsContact C-N 3.35Å; K840-Y843 PolarHBondContact O-N 2.78Å; K840-R844 WeakPolarHBondContact O-CB 3.49Å; K840-R844 PolarHBondContact O-N 2.94Å; K840-F859 HydrophobicContact CB-CD1 4.38Å; K840-F859 HydrophobicContact CB-CD2 4.3Å; K840-F859 HydrophobicContact CB-CE1 3.84Å; K840-F859 HydrophobicContact CB-CE2 3.7Å; K840-F859 HydrophobicContact CB-CZ 3.46Å; K840-F859 VanDerWaalsContact CB-CZ 3.46Å; K840-F859 HydrophobicContact CD-CD1 4.13Å; K840-F859 HydrophobicContact CD-CE1 3.48Å; K840-F859 VanDerWaalsContact CD-CE1 3.48Å; K840-F859 HydrophobicContact CD-CZ 3.89Å; K840-F859 HydrophobicContact CG-CD1 4.02Å; K840-F859 HydrophobicContact CG-CE1 3.69Å; K840-F859 HydrophobicContact CG-CE2 4.38Å; K840-F859 HydrophobicContact CG-CZ 3.89Å
841D95.9Very high94.5Very high83 Ų8342.1 Ų42.144%0.44422%0.219SC..Hα-helixtrans-64.1-41.8177.4-73.9-28.1000111.2Q837 A838 R844 E845Q837-D841 WeakPolarHBondContact O-CB 3.22Å; Q837-D841 PolarHBondContact O-N 3.33Å; A838-D841 PolarHBondContact O-N 2.92Å; D841-R844 WeakPolarHBondContact O-CB 3.2Å; D841-R844 PolarHBondContact O-N 3.26Å; D841-E845 PolarHBondContact O-N 3.37Å
842K95.3Very high94.5Very high29 Ų2942.1 Ų42.113%0.12622%0.219CC..Hα-helixtrans-59.6-49173.2-176.1-17865.2164.10111.5E808 A838 S839 K840 R844 E845 L846 S907 M911E808-K842 IonicContact OE1-NZ 2.67Å; E808-K842 PolarHBondContact OE1-NZ 2.99Å; E808-K842 VanDerWaalsContact OE2-CE 3.25Å; E808-K842 WeakPolarHBondContact OE2-CE 3.45Å; E808-K842 IonicContact OE2-NZ 3.82Å; E808-K842 PolarHBondContact OE2-NZ 2.95Å; E808-K842 VanDerWaalsContact OE2-NZ 3.13Å; A838-K842 VanDerWaalsContact O-CB 3.29Å; A838-K842 WeakPolarHBondContact O-CB 3.47Å; A838-K842 PolarHBondContact O-N 3.4Å; S839-K842 PolarHBondContact O-N 3.43Å; K840-K842 VanDerWaalsContact C-N 3.35Å; K842-R844 VanDerWaalsContact C-N 3.31Å; K842-R844 PolarHBondContact O-N 3.31Å; K842-E845 PolarHBondContact O-N 3.24Å; K842-E845 VanDerWaalsContact O-N 3.12Å; K842-L846 HydrophobicContact CD-CD1 4.19Å; K842-L846 HydrophobicContact CG-CD1 3.72Å; K842-L846 HydrophobicContact CG-CG 4.22Å; K842-L846 WeakPolarHBondContact O-CG 3.4Å; K842-L846 PolarHBondContact O-N 3.35Å; K842-S907 PolarHBondContact NZ-OG 2.95Å; K842-M911 HydrophobicContact CD-CE 4.16Å; K842-M911 HydrophobicContact CD-CG 3.76Å; K842-M911 HydrophobicContact CD-SD 3.87Å; K842-M911 HydrophobicContact CG-CE 4.1Å; K842-M911 HydrophobicContact CG-SD 3.95Å
843Y96.5Very high94.5Very high5 Ų546.1 Ų46.12%0.0223%0.233CC..Hα-helixtrans-60.7-40.8177.5175.7-114.7000112N801 D802 F805 S839 K840 E845 L846 A847 M851 H852N801-Y843 HydrophobicContact CB-CD2 4.23Å; N801-Y843 HydrophobicContact CB-CE2 4.23Å; N801-Y843 WeakPolarHBondContact O-CD2 3.09Å; D802-Y843 VanDerWaalsContact OD1-CE2 3.28Å; D802-Y843 WeakPolarHBondContact OD1-CE2 3.21Å; D802-Y843 VanDerWaalsContact OD1-CZ 3.27Å; D802-Y843 PolarHBondContact OD1-OH 3.02Å; F805-Y843 HydrophobicContact CB-CD2 3.66Å; F805-Y843 HydrophobicContact CB-CE2 4.26Å; F805-Y843 HydrophobicContact CB-CG 3.82Å; F805-Y843 AromaticContact CD1-CD1 3.36Å; F805-Y843 HydrophobicContact CD1-CD1 3.36Å; F805-Y843 HydrophobicContact CD1-CD2 4.03Å; F805-Y843 AromaticContact CD1-CE1 3.76Å; F805-Y843 HydrophobicContact CD1-CE1 3.76Å; F805-Y843 HydrophobicContact CD1-CE2 4.38Å; F805-Y843 AromaticContact CD1-CG 3.5Å; F805-Y843 HydrophobicContact CD1-CG 3.5Å; F805-Y843 HydrophobicContact CD2-CG 4.22Å; F805-Y843 AromaticContact CE1-CD1 3.56Å; F805-Y843 HydrophobicContact CE1-CD1 3.56Å; F805-Y843 HydrophobicContact CE1-CE1 4.06Å; F805-Y843 HydrophobicContact CE1-CG 4.07Å; F805-Y843 AromaticContact CG-CD1 3.96Å; F805-Y843 HydrophobicContact CG-CD1 3.96Å; F805-Y843 AromaticContact CG-CD2 3.98Å; F805-Y843 HydrophobicContact CG-CD2 3.98Å; F805-Y843 AromaticContact CG-CG 3.59Å; F805-Y843 HydrophobicContact CG-CG 3.59Å; F805-Y843 HydrophobicContact CZ-CD1 4.3Å; S839-Y843 WeakPolarHBondContact O-CB 3.45Å; S839-Y843 PolarHBondContact O-N 3.21Å; K840-Y843 PolarHBondContact O-N 2.78Å; Y843-E845 VanDerWaalsContact C-N 3.27Å; Y843-E845 PolarHBondContact O-N 3.24Å; Y843-L846 PolarHBondContact O-N 3.18Å; Y843-A847 HydrophobicContact CD2-CB 4.3Å; Y843-A847 HydrophobicContact CE2-CB 3.98Å; Y843-A847 WeakPolarHBondContact O-CB 3.48Å; Y843-A847 PolarHBondContact O-N 2.93Å; Y843-M851 HydrophobicContact CD1-CB 4.47Å; Y843-M851 HydrophobicContact CD1-CG 3.93Å; Y843-M851 HydrophobicContact CD1-SD 4.06Å; Y843-M851 HydrophobicContact CE1-CB 3.69Å; Y843-M851 HydrophobicContact CE1-CG 3.6Å; Y843-M851 HydrophobicContact CE1-SD 4.19Å; Y843-H852 PolarHBondContact OH-N 3.27Å
844R94.6Very high94.3Very high115 Ų11549.9 Ų49.943%0.43425%0.253SS..Hα-helixtrans-59.2-37.3174.5-172.1-175-170173.910.2112.4E784 K840 D841 K842 M851E784-R844 IonicContact OE1-NH2 3.49Å; K840-R844 WeakPolarHBondContact O-CB 3.49Å; K840-R844 PolarHBondContact O-N 2.94Å; D841-R844 WeakPolarHBondContact O-CB 3.2Å; D841-R844 PolarHBondContact O-N 3.26Å; K842-R844 VanDerWaalsContact C-N 3.31Å; K842-R844 PolarHBondContact O-N 3.31Å; R844-M851 HydrophobicContact CB-SD 3.84Å; R844-M851 HydrophobicContact CG-CE 4.32Å; R844-M851 HydrophobicContact CG-SD 3.98Å
845E92.1Very high94.3Very high93 Ų9348 Ų4844%0.43525%0.246SC..Hα-helixtrans-76.2-39.7179.2-164.1-177.6166.500112.4D841 K842 Y843 R918 Y1034D841-E845 PolarHBondContact O-N 3.37Å; K842-E845 PolarHBondContact O-N 3.24Å; K842-E845 VanDerWaalsContact O-N 3.12Å; Y843-E845 VanDerWaalsContact C-N 3.27Å; Y843-E845 PolarHBondContact O-N 3.24Å; E845-R918 IonicContact OE1-NH2 3.89Å; E845-R918 PolarHBondContact OE1-NH2 3.09Å; E845-Y1034 HydrophobicContact CG-CE2 3.82Å; E845-Y1034 PolarHBondContact OE1-OH 2.85Å
846L92.1Very high94.3Very high5 Ų544.4 Ų44.43%0.02623%0.229CC..Hα-helixtrans-81.8-27-176.2-63179.8000113.8N801 K842 Y843 I848 L910 M911 Y1034N801-L846 PolarHBondContact ND2-O 3.08Å; K842-L846 HydrophobicContact CD-CD1 4.19Å; K842-L846 HydrophobicContact CG-CD1 3.72Å; K842-L846 HydrophobicContact CG-CG 4.22Å; K842-L846 WeakPolarHBondContact O-CG 3.4Å; K842-L846 PolarHBondContact O-N 3.35Å; Y843-L846 PolarHBondContact O-N 3.18Å; L846-I848 VanDerWaalsContact C-N 3.28Å; L846-I848 PolarHBondContact O-N 2.98Å; L846-L910 HydrophobicContact CD1-CD2 4.28Å; L846-L910 HydrophobicContact CD2-CD2 4.31Å; L846-M911 HydrophobicContact CD1-SD 4.38Å; L846-M911 HydrophobicContact CD2-SD 4.46Å; L846-Y1034 HydrophobicContact CD2-CD1 3.42Å; L846-Y1034 VanDerWaalsContact CD2-CD1 3.42Å; L846-Y1034 HydrophobicContact CD2-CD2 4.03Å; L846-Y1034 HydrophobicContact CD2-CE1 3.27Å; L846-Y1034 HydrophobicContact CD2-CE2 3.94Å; L846-Y1034 HydrophobicContact CD2-CG 3.78Å
847A92.2Very high94.3Very high15 Ų1546.5 Ų46.512%0.12424%0.238CC..  trans-78.470.6-179.500000112.2Y843 E849 G850 M851Y843-A847 HydrophobicContact CD2-CB 4.3Å; Y843-A847 HydrophobicContact CE2-CB 3.98Å; Y843-A847 WeakPolarHBondContact O-CB 3.48Å; Y843-A847 PolarHBondContact O-N 2.93Å; A847-E849 PolarHBondContact O-N 3.16Å; A847-G850 WeakPolarHBondContact O-CA 3.43Å; A847-G850 PolarHBondContact O-N 2.93Å; A847-M851 HydrophobicContact CB-CG 4.26Å
848I88Confident94.2Very high87 Ų8749 Ų4945%0.44625%0.249SC..THydrogen-bonded Turntrans-58.1-33.2-179.8-57.3-60.7000112.4L846 G850 V1033 Y1034L846-I848 VanDerWaalsContact C-N 3.28Å; L846-I848 PolarHBondContact O-N 2.98Å; I848-G850 PolarHBondContact O-N 3.44Å; I848-V1033 HydrophobicContact CG2-CG1 4.14Å; I848-Y1034 HydrophobicContact CD1-CD2 4.43Å
849E84.4Confident94.3Very high155 Ų15546.3 Ų46.372%0.72423%0.228SC*.THydrogen-bonded Turntrans-78.95.2177.4-59.8-179.5177.600113.5A847A847-E849 PolarHBondContact O-N 3.16Å
850G89.1Confident94.4Very high30 Ų3045.2 Ų45.231%0.30922%0.22SC..  trans90.3148.1-173.700000112.9R793 A847 I848R793-G850 PolarHBondContact NE-O 3.08Å; R793-G850 PolarHBondContact NH2-O 2.86Å; A847-G850 WeakPolarHBondContact O-CA 3.43Å; A847-G850 PolarHBondContact O-N 2.93Å; I848-G850 PolarHBondContact O-N 3.44Å
851M95.5Very high94.4Very high19 Ų1948 Ų489%0.09423%0.233CC..  trans-69.5143.9178-65-175-62.100111.2W781 M785 L792 R793 Y843 R844 A847 V856W781-M851 HydrophobicContact CZ2-CE 4.25Å; M785-M851 HydrophobicContact SD-CE 3.78Å; L792-M851 HydrophobicContact CD2-CB 4.43Å; R793-M851 PolarHBondContact N-O 3.05Å; Y843-M851 HydrophobicContact CD1-CB 4.47Å; Y843-M851 HydrophobicContact CD1-CG 3.93Å; Y843-M851 HydrophobicContact CD1-SD 4.06Å; Y843-M851 HydrophobicContact CE1-CB 3.69Å; Y843-M851 HydrophobicContact CE1-CG 3.6Å; Y843-M851 HydrophobicContact CE1-SD 4.19Å; R844-M851 HydrophobicContact CB-SD 3.84Å; R844-M851 HydrophobicContact CG-CE 4.32Å; R844-M851 HydrophobicContact CG-SD 3.98Å; A847-M851 HydrophobicContact CB-CG 4.26Å; M851-V856 HydrophobicContact CB-CG2 3.68Å; M851-V856 HydrophobicContact CE-CG2 4.2Å; M851-V856 HydrophobicContact CG-CG2 4.46Å; M851-V856 HydrophobicContact SD-CG2 4.11Å
852H97.3Very high94.5Very high4 Ų445.5 Ų45.52%0.01922%0.217CC..BIsolated β-bridgetrans-74.4128.3176.7-171.3-96.1000111.4R793 G795 A797 Y843 D854 L855 V856R793-H852 WeakPolarHBondContact O-CA 3.24Å; R793-H852 PolarHBondContact O-CD2 3.45Å; G795-H852 PolarHBondContact O-NE2 3.37Å; A797-H852 HydrophobicContact CB-CB 4.5Å; Y843-H852 PolarHBondContact OH-N 3.27Å; H852-D854 IonicContact CE1-OD2 3.64Å; H852-D854 PolarHBondContact ND1-N 2.91Å; H852-D854 PolarHBondContact O-N 2.65Å; H852-L855 HydrophobicContact CB-CB 4.04Å; H852-L855 PolarHBondContact ND1-N 3.03Å; H852-L855 PolarHBondContact O-N 3.17Å; H852-V856 WeakPolarHBondContact O-CG2 3.27Å; H852-V856 PolarHBondContact O-N 3.12Å
853R95.9Very high94.6Very high87 Ų8744.1 Ų44.133%0.32821%0.211SC..Hα-helixtrans-54.6-56-175.1-173-174.368.5-172.6-2.6112.1L792 R793 T794 L855 V856 F857L792-R853 HydrophobicContact CB-CB 3.75Å; L792-R853 HydrophobicContact CB-CG 4.22Å; L792-R853 HydrophobicContact CD1-CB 4.3Å; L792-R853 HydrophobicContact CD1-CG 4.15Å; R793-R853 PolarHBondContact O-N 3.06Å; T794-R853 HydrophobicContact CG2-CB 4.21Å; R853-L855 PolarHBondContact O-N 3.4Å; R853-V856 WeakPolarHBondContact O-CB 3.43Å; R853-V856 PolarHBondContact O-N 2.97Å; R853-F857 HydrophobicContact CG-CD2 3.88Å; R853-F857 HydrophobicContact CG-CE2 3.94Å; R853-F857 WeakPolarHBondContact O-CD2 3.27Å; R853-F857 PolarHBondContact O-N 3.25Å
854D95.3Very high94.7Very high82 Ų8243.9 Ų43.944%0.43921%0.21SC..Hα-helixtrans-68.4-28-172-53.2-21.8000111.4H852 Q858H852-D854 IonicContact CE1-OD2 3.64Å; H852-D854 PolarHBondContact ND1-N 2.91Å; H852-D854 PolarHBondContact O-N 2.65Å; D854-Q858 WeakPolarHBondContact O-CB 3.5Å; D854-Q858 PolarHBondContact O-N 3.36Å
855L95.9Very high94.8Very high9 Ų938.8 Ų38.85%0.04719%0.192CC..Hα-helixtrans-75.3-37.3178.2-162.662.3000111.2D802 F805 A806 I809 H852 R853 F859D802-L855 HydrophobicContact CB-CD2 4.03Å; D802-L855 WeakPolarHBondContact O-CD2 3.46Å; F805-L855 HydrophobicContact CB-CD2 4.29Å; F805-L855 HydrophobicContact CD1-CD2 3.62Å; F805-L855 HydrophobicContact CD1-CG 3.76Å; F805-L855 HydrophobicContact CE1-CD2 4.49Å; F805-L855 HydrophobicContact CE1-CG 4.2Å; F805-L855 HydrophobicContact CG-CD2 4.42Å; A806-L855 HydrophobicContact CB-CD1 3.93Å; I809-L855 HydrophobicContact CD1-CD1 4.4Å; H852-L855 HydrophobicContact CB-CB 4.04Å; H852-L855 PolarHBondContact ND1-N 3.03Å; H852-L855 PolarHBondContact O-N 3.17Å; R853-L855 PolarHBondContact O-N 3.4Å; L855-F859 WeakPolarHBondContact O-CB 3.1Å; L855-F859 PolarHBondContact O-N 2.9Å
856V97.1Very high95.1Very high2 Ų234.4 Ų34.41%0.01217%0.171CC..Hα-helixtrans-62.1-49.9171.6167.50000110.9W781 M785 L792 M851 H852 R853 F859 I860W781-V856 HydrophobicContact CH2-CG1 3.86Å; W781-V856 HydrophobicContact CZ2-CG1 4.31Å; M785-V856 HydrophobicContact CB-CG1 4.17Å; M785-V856 HydrophobicContact CG-CG1 3.87Å; M785-V856 HydrophobicContact SD-CG1 4.09Å; L792-V856 HydrophobicContact CD1-CB 4.39Å; L792-V856 HydrophobicContact CD1-CG1 4.29Å; M851-V856 HydrophobicContact CB-CG2 3.68Å; M851-V856 HydrophobicContact CE-CG2 4.2Å; M851-V856 HydrophobicContact CG-CG2 4.46Å; M851-V856 HydrophobicContact SD-CG2 4.11Å; H852-V856 WeakPolarHBondContact O-CG2 3.27Å; H852-V856 PolarHBondContact O-N 3.12Å; R853-V856 WeakPolarHBondContact O-CB 3.43Å; R853-V856 PolarHBondContact O-N 2.97Å; V856-F859 WeakPolarHBondContact O-CB 3.33Å; V856-F859 PolarHBondContact O-N 2.91Å; V856-I860 HydrophobicContact CG1-CD1 3.97Å; V856-I860 VanDerWaalsContact O-CG1 3.32Å; V856-I860 WeakPolarHBondContact O-CG1 3.14Å; V856-I860 PolarHBondContact O-N 3.45Å
857F96.4Very high95.4Very high48 Ų4834.3 Ų34.321%0.21117%0.171CC..Hα-helixtrans-68.7-35.6179.8-80.2-80.3000112.5I786 Q789 L792 R853 F859 I860 E861 L882I786-F857 HydrophobicContact CG1-CE1 3.99Å; I786-F857 HydrophobicContact CG1-CZ 4.36Å; Q789-F857 HydrophobicContact CB-CE2 4.04Å; Q789-F857 HydrophobicContact CB-CZ 4.08Å; L792-F857 HydrophobicContact CD1-CE2 4.33Å; R853-F857 HydrophobicContact CG-CD2 3.88Å; R853-F857 HydrophobicContact CG-CE2 3.94Å; R853-F857 WeakPolarHBondContact O-CD2 3.27Å; R853-F857 PolarHBondContact O-N 3.25Å; F857-F859 VanDerWaalsContact C-N 3.33Å; F857-F859 PolarHBondContact O-N 3.41Å; F857-I860 HydrophobicContact CD1-CD1 4.26Å; F857-I860 HydrophobicContact CE1-CD1 4.5Å; F857-I860 PolarHBondContact O-N 3.42Å; F857-E861 WeakPolarHBondContact O-CB 3.5Å; F857-E861 PolarHBondContact O-N 3.27Å; F857-L882 HydrophobicContact CD1-CD2 4Å; F857-L882 HydrophobicContact CE1-CD2 4.19Å
858Q95.6Very high95.7Very high75 Ų7533.7 Ų33.735%0.3517%0.166SC..Hα-helixtrans-62.2-40.8171.1-178.3177.363.600111.6D854 R862D854-Q858 WeakPolarHBondContact O-CB 3.5Å; D854-Q858 PolarHBondContact O-N 3.36Å; Q858-R862 VanDerWaalsContact CD-CZ 3.42Å; Q858-R862 HydrophobicContact CG-CG 4.46Å; Q858-R862 WeakPolarHBondContact O-CB 3.38Å; Q858-R862 WeakPolarHBondContact O-CD 3.19Å; Q858-R862 WeakPolarHBondContact O-CG 3.29Å; Q858-R862 PolarHBondContact O-N 2.91Å
859F97.6Very high96.2Very high1 Ų129.6 Ų29.60%0.00415%0.145CC..Hα-helixtrans-61.4-47172.7173.9-89.3000111.6W778 W781 F805 I809 F836 K840 L855 V856 F857 E861 R862 Q863W778-F859 AromaticContact CH2-CD1 3.98Å; W778-F859 HydrophobicContact CH2-CD1 3.98Å; W778-F859 AromaticContact CH2-CE1 3.58Å; W778-F859 HydrophobicContact CH2-CE1 3.58Å; W778-F859 HydrophobicContact CZ3-CD1 4.25Å; W778-F859 AromaticContact CZ3-CE1 3.57Å; W778-F859 HydrophobicContact CZ3-CE1 3.57Å; W781-F859 HydrophobicContact CH2-CD1 4.27Å; W781-F859 HydrophobicContact CZ3-CD1 4.21Å; W781-F859 HydrophobicContact CZ3-CE1 4.4Å; F805-F859 HydrophobicContact CE1-CB 4.18Å; F805-F859 HydrophobicContact CE1-CD2 4.39Å; F805-F859 HydrophobicContact CE1-CG 4.45Å; F805-F859 AromaticContact CE2-CD2 3.97Å; F805-F859 HydrophobicContact CE2-CD2 3.97Å; F805-F859 HydrophobicContact CE2-CE2 4.31Å; F805-F859 HydrophobicContact CZ-CB 3.99Å; F805-F859 AromaticContact CZ-CD2 3.42Å; F805-F859 HydrophobicContact CZ-CD2 3.42Å; F805-F859 VanDerWaalsContact CZ-CD2 3.42Å; F805-F859 HydrophobicContact CZ-CE2 4.09Å; F805-F859 AromaticContact CZ-CG 3.79Å; F805-F859 HydrophobicContact CZ-CG 3.79Å; I809-F859 HydrophobicContact CD1-CB 4.01Å; I809-F859 HydrophobicContact CD1-CD2 4.04Å; I809-F859 HydrophobicContact CG1-CD2 4.02Å; F836-F859 AromaticContact CD1-CD2 3.88Å; F836-F859 HydrophobicContact CD1-CD2 3.88Å; F836-F859 AromaticContact CD1-CE2 3.12Å; F836-F859 HydrophobicContact CD1-CE2 3.12Å; F836-F859 AromaticContact CD1-CZ 3.57Å; F836-F859 HydrophobicContact CD1-CZ 3.57Å; F836-F859 AromaticContact CE1-CD2 3.62Å; F836-F859 HydrophobicContact CE1-CD2 3.62Å; F836-F859 AromaticContact CE1-CE2 3.38Å; F836-F859 HydrophobicContact CE1-CE2 3.38Å; F836-F859 HydrophobicContact CE1-CZ 4.1Å; F836-F859 AromaticContact CG-CE2 3.95Å; F836-F859 HydrophobicContact CG-CE2 3.95Å; F836-F859 HydrophobicContact CG-CZ 4.48Å; F836-F859 HydrophobicContact CZ-CD2 4.44Å; F836-F859 HydrophobicContact CZ-CE2 4.39Å; F836-F859 VanDerWaalsContact O-CE2 3.32Å; F836-F859 WeakPolarHBondContact O-CE2 3.41Å; K840-F859 HydrophobicContact CB-CD1 4.38Å; K840-F859 HydrophobicContact CB-CD2 4.3Å; K840-F859 HydrophobicContact CB-CE1 3.84Å; K840-F859 HydrophobicContact CB-CE2 3.7Å; K840-F859 HydrophobicContact CB-CZ 3.46Å; K840-F859 VanDerWaalsContact CB-CZ 3.46Å; K840-F859 HydrophobicContact CD-CD1 4.13Å; K840-F859 HydrophobicContact CD-CE1 3.48Å; K840-F859 VanDerWaalsContact CD-CE1 3.48Å; K840-F859 HydrophobicContact CD-CZ 3.89Å; K840-F859 HydrophobicContact CG-CD1 4.02Å; K840-F859 HydrophobicContact CG-CE1 3.69Å; K840-F859 HydrophobicContact CG-CE2 4.38Å; K840-F859 HydrophobicContact CG-CZ 3.89Å; L855-F859 WeakPolarHBondContact O-CB 3.1Å; L855-F859 PolarHBondContact O-N 2.9Å; V856-F859 WeakPolarHBondContact O-CB 3.33Å; V856-F859 PolarHBondContact O-N 2.91Å; F857-F859 VanDerWaalsContact C-N 3.33Å; F857-F859 PolarHBondContact O-N 3.41Å; F859-E861 VanDerWaalsContact C-N 3.34Å; F859-E861 PolarHBondContact O-N 3.29Å; F859-R862 PolarHBondContact O-N 3.27Å; F859-Q863 HydrophobicContact CE1-CB 4.09Å; F859-Q863 HydrophobicContact CE1-CG 4.37Å; F859-Q863 HydrophobicContact CZ-CB 4.2Å; F859-Q863 HydrophobicContact CZ-CG 4.41Å; F859-Q863 VanDerWaalsContact O-CB 3.22Å; F859-Q863 WeakPolarHBondContact O-CB 3.25Å; F859-Q863 PolarHBondContact O-N 3.31Å
860I98Very high96.9Very high0 Ų022.2 Ų22.20%011%0.11CC..Hα-helixtrans-59.2-47.2179.6-64.3163.1000110.7W778 W781 V782 M785 V856 F857 T864 T878 L882W778-I860 HydrophobicContact CH2-CB 4.25Å; W778-I860 HydrophobicContact CH2-CG1 3.9Å; W778-I860 HydrophobicContact CH2-CG2 4.25Å; W778-I860 HydrophobicContact CZ2-CG2 4.06Å; W781-I860 HydrophobicContact CE3-CG1 4.42Å; W781-I860 HydrophobicContact CH2-CD1 4.42Å; W781-I860 HydrophobicContact CH2-CG1 4.22Å; W781-I860 HydrophobicContact CZ3-CD1 3.92Å; W781-I860 HydrophobicContact CZ3-CG1 3.54Å; V782-I860 HydrophobicContact CG1-CD1 4.47Å; V782-I860 HydrophobicContact CG1-CG2 3.98Å; V782-I860 HydrophobicContact CG2-CD1 4.44Å; V782-I860 HydrophobicContact CG2-CG1 4.24Å; V782-I860 HydrophobicContact CG2-CG2 3.76Å; M785-I860 HydrophobicContact CB-CD1 4.12Å; M785-I860 HydrophobicContact CG-CD1 4.45Å; V856-I860 HydrophobicContact CG1-CD1 3.97Å; V856-I860 VanDerWaalsContact O-CG1 3.32Å; V856-I860 WeakPolarHBondContact O-CG1 3.14Å; V856-I860 PolarHBondContact O-N 3.45Å; F857-I860 HydrophobicContact CD1-CD1 4.26Å; F857-I860 HydrophobicContact CE1-CD1 4.5Å; F857-I860 PolarHBondContact O-N 3.42Å; I860-T864 VanDerWaalsContact O-CB 3.3Å; I860-T864 WeakPolarHBondContact O-CB 3.42Å; I860-T864 PolarHBondContact O-N 2.91Å; I860-T864 PolarHBondContact O-OG1 3.21Å; I860-T878 HydrophobicContact CG2-CG2 4.34Å; I860-L882 HydrophobicContact CG2-CD1 4.07Å; I860-L882 HydrophobicContact CG2-CD2 3.94Å; I860-L882 HydrophobicContact CG2-CG 4.39Å
861E97.2Very high97.3Very high65 Ų6520.8 Ų20.830%0.30410%0.096SC..Hα-helixtrans-59.6-50.4178.3-171.5165.7171.900111.1F857 F859 T864 L865 W879 K884F857-E861 WeakPolarHBondContact O-CB 3.5Å; F857-E861 PolarHBondContact O-N 3.27Å; F859-E861 VanDerWaalsContact C-N 3.34Å; F859-E861 PolarHBondContact O-N 3.29Å; E861-T864 PolarHBondContact O-N 3.03Å; E861-L865 HydrophobicContact CG-CD1 4.4Å; E861-L865 WeakPolarHBondContact O-CG 3.5Å; E861-L865 PolarHBondContact O-N 2.93Å; E861-W879 HydrophobicContact CG-CH2 3.83Å; E861-W879 HydrophobicContact CG-CZ3 3.61Å; E861-W879 WeakPolarHBondContact OE1-CH2 3.31Å; E861-K884 IonicContact OE1-NZ 3.91Å; E861-K884 PolarHBondContact OE1-NZ 3.38Å; E861-K884 IonicContact OE2-NZ 3.76Å; E861-K884 PolarHBondContact OE2-NZ 3.24Å
862R97.5Very high97.4Very high29 Ų2919.9 Ų19.911%0.1099%0.091CC..Hα-helixtrans-64.7-45.8-179-70.1167.3170.8-163.8-8.7112.2N810 I813 F836 Q858 F859 T864 L865 L866 P894 M895N810-R862 PolarHBondContact OD1-NH1 3.07Å; I813-R862 HydrophobicContact CD1-CB 4.36Å; I813-R862 HydrophobicContact CD1-CG 4.05Å; F836-R862 HydrophobicContact CE1-CB 4.36Å; F836-R862 HydrophobicContact CZ-CB 4.21Å; Q858-R862 VanDerWaalsContact CD-CZ 3.42Å; Q858-R862 HydrophobicContact CG-CG 4.46Å; Q858-R862 WeakPolarHBondContact O-CB 3.38Å; Q858-R862 WeakPolarHBondContact O-CD 3.19Å; Q858-R862 WeakPolarHBondContact O-CG 3.29Å; Q858-R862 PolarHBondContact O-N 2.91Å; F859-R862 PolarHBondContact O-N 3.27Å; R862-T864 VanDerWaalsContact C-N 3.29Å; R862-T864 PolarHBondContact O-N 2.76Å; R862-L865 PolarHBondContact O-N 3.35Å; R862-L866 VanDerWaalsContact O-CG 3.32Å; R862-L866 WeakPolarHBondContact O-CG 3.24Å; R862-L866 PolarHBondContact O-N 2.87Å; R862-P894 HydrophobicContact CG-CB 4.03Å; R862-M895 PolarHBondContact NH2-O 3.02Å
863Q98.1Very high97.5Very high0 Ų019.7 Ų19.70%09%0.09CC..Hα-helixtrans-58.8-42.6176.5174.763.595.300111.4W778 G832 F836 F859 L865 L866 L867W778-Q863 HydrophobicContact CH2-CB 4.04Å; W778-Q863 HydrophobicContact CH2-CG 3.84Å; W778-Q863 HydrophobicContact CZ2-CB 3.94Å; W778-Q863 HydrophobicContact CZ2-CG 3.57Å; W778-Q863 HydrophobicContact CZ3-CG 4.45Å; G832-Q863 PolarHBondContact O-NE2 3.4Å; F836-Q863 HydrophobicContact CD1-CB 3.92Å; F836-Q863 HydrophobicContact CD1-CG 4.39Å; F836-Q863 HydrophobicContact CE1-CB 3.93Å; F859-Q863 HydrophobicContact CE1-CB 4.09Å; F859-Q863 HydrophobicContact CE1-CG 4.37Å; F859-Q863 HydrophobicContact CZ-CB 4.2Å; F859-Q863 HydrophobicContact CZ-CG 4.41Å; F859-Q863 VanDerWaalsContact O-CB 3.22Å; F859-Q863 WeakPolarHBondContact O-CB 3.25Å; F859-Q863 PolarHBondContact O-N 3.31Å; Q863-L865 VanDerWaalsContact C-N 3.34Å; Q863-L866 PolarHBondContact O-N 2.86Å; Q863-L867 WeakPolarHBondContact O-CB 3.44Å; Q863-L867 PolarHBondContact O-N 2.84Å
864T98.3Very high97.6Very high0 Ų015.6 Ų15.60%08%0.075CC..Hα-helixtrans-62.8-42.1178.5-57.80000110.8I860 E861 R862 A868 C875 T878 W879 L888I860-T864 VanDerWaalsContact O-CB 3.3Å; I860-T864 WeakPolarHBondContact O-CB 3.42Å; I860-T864 PolarHBondContact O-N 2.91Å; I860-T864 PolarHBondContact O-OG1 3.21Å; E861-T864 PolarHBondContact O-N 3.03Å; R862-T864 VanDerWaalsContact C-N 3.29Å; R862-T864 PolarHBondContact O-N 2.76Å; T864-A868 WeakPolarHBondContact O-CB 3.48Å; T864-A868 PolarHBondContact O-N 2.81Å; T864-A868 VanDerWaalsContact O-N 3.08Å; T864-C875 HydrophobicContact CG2-CB 3.75Å; T864-C875 WeakPolarHBondContact CG2-O 3.27Å; T864-C875 PolarHBondContact O-SG 2.89Å; T864-C875 VanDerWaalsContact O-SG 3.37Å; T864-T878 HydrophobicContact CG2-CG2 4.3Å; T864-T878 WeakPolarHBondContact OG1-CG2 3.47Å; T864-W879 HydrophobicContact CG2-CE3 4.2Å; T864-L888 HydrophobicContact CG2-CD1 3.7Å
865L98.3Very high97.7Very high8 Ų811.7 Ų11.74%0.0425%0.054CC..Hα-helixtrans-68.3-41.3176.6-66.6169.8000113L80 E861 R862 Q863 L867 A868 W879 L888 A891 P894L80-L865 WeakPolarHBondContact CD1-O 3.35Å; L80-L865 HydrophobicContact CD2-CD2 4.2Å; E861-L865 HydrophobicContact CG-CD1 4.4Å; E861-L865 WeakPolarHBondContact O-CG 3.5Å; E861-L865 PolarHBondContact O-N 2.93Å; R862-L865 PolarHBondContact O-N 3.35Å; Q863-L865 VanDerWaalsContact C-N 3.34Å; L865-L867 VanDerWaalsContact C-N 3.31Å; L865-L867 PolarHBondContact O-N 3.46Å; L865-A868 PolarHBondContact O-N 2.88Å; L865-W879 HydrophobicContact CD1-CH2 4.44Å; L865-W879 HydrophobicContact CD1-CZ3 4.38Å; L865-W879 HydrophobicContact CD2-CH2 4.11Å; L865-W879 HydrophobicContact CD2-CZ3 3.9Å; L865-W879 HydrophobicContact CG-CH2 4.42Å; L865-W879 HydrophobicContact CG-CZ3 3.99Å; L865-L888 HydrophobicContact CD2-CD1 4.49Å; L865-A891 HydrophobicContact CD2-CB 3.6Å; L865-P894 HydrophobicContact CB-CG 4.22Å; L865-P894 HydrophobicContact CD1-CB 4.1Å; L865-P894 HydrophobicContact CD1-CG 4.4Å
866L98.2Very high97.8Very high1 Ų111.4 Ų11.41%0.0055%0.052CC..Hα-helixtrans-65.7-33.9178.6-66.7-177.7000112.4I813 T816 Y820 F836 R862 Q863 W893 P894I813-L866 HydrophobicContact CG1-CD1 4.13Å; I813-L866 HydrophobicContact CG1-CD2 4.39Å; T816-L866 HydrophobicContact CG2-CD2 4.02Å; Y820-L866 PolarHBondContact OH-O 3.25Å; F836-L866 HydrophobicContact CD1-CD1 4.48Å; F836-L866 HydrophobicContact CD2-CD1 4.08Å; F836-L866 HydrophobicContact CE1-CD1 4.16Å; F836-L866 HydrophobicContact CE2-CD1 3.71Å; F836-L866 HydrophobicContact CG-CD1 4.43Å; F836-L866 HydrophobicContact CZ-CD1 3.72Å; R862-L866 VanDerWaalsContact O-CG 3.32Å; R862-L866 WeakPolarHBondContact O-CG 3.24Å; R862-L866 PolarHBondContact O-N 2.87Å; Q863-L866 PolarHBondContact O-N 2.86Å; L866-W893 HydrophobicContact CD2-CH2 3.34Å; L866-W893 HydrophobicContact CD2-CZ2 3.36Å; L866-W893 HydrophobicContact CD2-CZ3 4.11Å; L866-P894 HydrophobicContact CD2-CG 3.94Å; L866-P894 HydrophobicContact CG-CG 4.44Å
867L98.4Very high97.8Very high3 Ų313.4 Ų13.42%0.0166%0.06CC..Hα-helixtrans-86.1-20.3-178.7-173.364000113.2L749 L775 L829 F833 Q863 L865 P869 I870 C871L749-L867 HydrophobicContact CD1-CD1 4.28Å; L775-L867 HydrophobicContact CD2-CD2 3.9Å; L829-L867 HydrophobicContact CD1-CD1 4.28Å; F833-L867 HydrophobicContact CB-CD1 4.38Å; F833-L867 HydrophobicContact CD2-CD1 4.17Å; F833-L867 HydrophobicContact CD2-CD2 4Å; F833-L867 HydrophobicContact CE2-CD2 3.98Å; F833-L867 HydrophobicContact CG-CD1 4.28Å; Q863-L867 WeakPolarHBondContact O-CB 3.44Å; Q863-L867 PolarHBondContact O-N 2.84Å; L865-L867 VanDerWaalsContact C-N 3.31Å; L865-L867 PolarHBondContact O-N 3.46Å; L867-P869 VanDerWaalsContact C-CD 3.42Å; L867-I870 HydrophobicContact CD1-CB 4.43Å; L867-I870 PolarHBondContact O-N 3.04Å; L867-C871 HydrophobicContact CD1-CB 4.44Å; L867-C871 HydrophobicContact CD2-CB 4.3Å; L867-C871 HydrophobicContact CG-CB 4.04Å; L867-C871 PolarHBondContact O-N 3.49Å
868A98.1Very high97.9Very high3 Ų311.1 Ų11.13%0.0255%0.05CC..THydrogen-bonded Turntrans-53.5-37-174.900000116L80 T864 L865 I870 P872 C875 L888L80-A868 HydrophobicContact CD1-CB 4.47Å; T864-A868 WeakPolarHBondContact O-CB 3.48Å; T864-A868 PolarHBondContact O-N 2.81Å; T864-A868 VanDerWaalsContact O-N 3.08Å; L865-A868 PolarHBondContact O-N 2.88Å; A868-I870 PolarHBondContact O-N 3.39Å; A868-P872 VanDerWaalsContact O-CA 3.31Å; A868-P872 WeakPolarHBondContact O-CA 3.25Å; A868-P872 WeakPolarHBondContact O-CB 3.33Å; A868-C875 HydrophobicContact CB-CB 4.01Å; A868-L888 HydrophobicContact CB-CD1 4.14Å; A868-L888 HydrophobicContact CB-CD2 3.37Å; A868-L888 HydrophobicContact CB-CG 4.37Å
869P98.3Very high97.9Very high0 Ų08.6 Ų8.60%04%0.037CC..THydrogen-bonded Turntrans-61-33.3175.3-24.735.6000112.9F73 L80 R748 Y820 L867F73-P869 VanDerWaalsContact CD1-O 3.31Å; F73-P869 WeakPolarHBondContact CD1-O 3.39Å; L80-P869 HydrophobicContact CD1-CG 4.17Å; R748-P869 PolarHBondContact NH2-O 3.45Å; R748-P869 VanDerWaalsContact NH2-O 3.11Å; Y820-P869 HydrophobicContact CE1-CB 3.97Å; Y820-P869 HydrophobicContact CE1-CG 4.23Å; Y820-P869 HydrophobicContact CE2-CG 4.45Å; L867-P869 VanDerWaalsContact C-CD 3.42Å
870I98.3Very high97.8Very high1 Ų111.5 Ų11.51%0.0056%0.058CC..THydrogen-bonded Turntrans-90.9-52.2-175.1-61.9170.7000111.1F73 R748 L749 A752 Y820 L829 L867 A868 P872F73-I870 HydrophobicContact CD1-CG1 4.37Å; F73-I870 HydrophobicContact CE1-CB 4.5Å; F73-I870 HydrophobicContact CE1-CG1 4.46Å; F73-I870 HydrophobicContact CE1-CG2 4.44Å; F73-I870 HydrophobicContact CZ-CG2 4.48Å; R748-I870 WeakPolarHBondContact CB-O 2.97Å; R748-I870 PolarHBondContact NE-O 3.28Å; L749-I870 HydrophobicContact CD1-CG2 4.23Å; A752-I870 HydrophobicContact CB-CD1 3.87Å; A752-I870 HydrophobicContact CB-CG1 4.21Å; A752-I870 HydrophobicContact CB-CG2 3.97Å; Y820-I870 VanDerWaalsContact OH-CD1 3.31Å; Y820-I870 WeakPolarHBondContact OH-CD1 3.17Å; Y820-I870 WeakPolarHBondContact OH-CG1 3.04Å; L829-I870 HydrophobicContact CB-CD1 4.07Å; L829-I870 HydrophobicContact CD1-CD1 3.99Å; L867-I870 HydrophobicContact CD1-CB 4.43Å; L867-I870 PolarHBondContact O-N 3.04Å; A868-I870 PolarHBondContact O-N 3.39Å; I870-P872 VanDerWaalsContact C-CD 3.46Å; I870-P872 VanDerWaalsContact O-CD 3.24Å; I870-P872 WeakPolarHBondContact O-CD 3.47Å
871C98.4Very high97.7Very high0 Ų014 Ų140%07%0.071CC..SBendtrans-117.870.1-177.9-56.50000111.3D745 L867 H873 C875D745-C871 HydrophobicContact CB-CB 3.94Å; D745-C871 WeakPolarHBondContact OD1-CA 3.4Å; L867-C871 HydrophobicContact CD1-CB 4.44Å; L867-C871 HydrophobicContact CD2-CB 4.3Å; L867-C871 HydrophobicContact CG-CB 4.04Å; L867-C871 PolarHBondContact O-N 3.49Å; C871-H873 VanDerWaalsContact C-N 3.34Å; C871-H873 PolarHBondContact O-N 3.38Å; C871-C875 WeakPolarHBondContact O-CB 3.29Å; C871-C875 PolarHBondContact O-N 2.76Å; C871-C875 PolarHBondContact O-SG 3.24Å
872P98.1Very high97.6Very high0 Ų012.7 Ų12.70%07%0.066CC..Hα-helixtrans-68.3-30.5-169.429-37.4000113.3W24 D745 A868 I870 C875 E876 M889W24-P872 HydrophobicContact CH2-CB 3.71Å; W24-P872 HydrophobicContact CH2-CG 4.03Å; W24-P872 HydrophobicContact CZ2-CB 4.29Å; D745-P872 WeakPolarHBondContact OD1-CD 3.41Å; A868-P872 VanDerWaalsContact O-CA 3.31Å; A868-P872 WeakPolarHBondContact O-CA 3.25Å; A868-P872 WeakPolarHBondContact O-CB 3.33Å; I870-P872 VanDerWaalsContact C-CD 3.46Å; I870-P872 VanDerWaalsContact O-CD 3.24Å; I870-P872 WeakPolarHBondContact O-CD 3.47Å; P872-C875 PolarHBondContact O-N 2.91Å; P872-E876 WeakPolarHBondContact O-CB 3.39Å; P872-E876 PolarHBondContact O-N 3.32Å; P872-M889 HydrophobicContact CB-CE 3.69Å
873H98.4Very high97.3Very high0 Ų014.1 Ų14.10%09%0.09CC..Hα-helixtrans-71.3-50-174.7-47.792.8000111.3E17 I20 Q21 W24 M196 G197 D745 C871 C875 E876 Y877E17-H873 HydrophobicContact CB-CB 4.41Å; E17-H873 HydrophobicContact CG-CB 3.79Å; I20-H873 HydrophobicContact CB-CB 4.48Å; I20-H873 HydrophobicContact CG2-CB 4.48Å; Q21-H873 PolarHBondContact NE2-NE2 3.31Å; W24-H873 AromaticContact CH2-CD2 3.66Å; W24-H873 AromaticContact CZ3-CD2 3.49Å; W24-H873 VanDerWaalsContact CZ3-CD2 3.49Å; W24-H873 WeakPolarHBondContact CZ3-CD2 3.37Å; W24-H873 AromaticContact CZ3-NE2 3.59Å; M196-H873 PolarHBondContact O-CE1 2.69Å; G197-H873 WeakPolarHBondContact CA-NE2 3.3Å; D745-H873 IonicContact OD1-CE1 3.95Å; D745-H873 IonicContact OD1-CG 2.64Å; D745-H873 IonicContact OD1-ND1 2.84Å; D745-H873 PolarHBondContact OD1-ND1 3.34Å; D745-H873 PolarHBondContact OD2-N 3.31Å; D745-H873 IonicContact OD2-ND1 2.57Å; C871-H873 VanDerWaalsContact C-N 3.34Å; C871-H873 PolarHBondContact O-N 3.38Å; H873-C875 PolarHBondContact O-N 3.44Å; H873-E876 PolarHBondContact O-N 2.82Å; H873-Y877 PolarHBondContact O-N 3.06Å
874L97.9Very high97Very high1 Ų117.8 Ų17.81%0.00511%0.106CC..Hα-helixtrans-61.2-37.7175-175151.1000111L13 D745 L775 V779 Y877 T878L13-L874 HydrophobicContact CD2-CD1 3.73Å; D745-L874 VanDerWaalsContact OD2-CB 3.24Å; D745-L874 WeakPolarHBondContact OD2-CB 3.41Å; D745-L874 PolarHBondContact OD2-N 2.72Å; L775-L874 HydrophobicContact CB-CD1 3.72Å; L775-L874 HydrophobicContact CD1-CD1 4.47Å; L775-L874 HydrophobicContact CD2-CD1 4.11Å; L775-L874 HydrophobicContact CG-CD1 4.3Å; V779-L874 HydrophobicContact CG2-CD1 3.59Å; V779-L874 HydrophobicContact CG2-CD2 3.72Å; V779-L874 HydrophobicContact CG2-CG 3.58Å; L874-Y877 PolarHBondContact O-N 3.14Å; L874-T878 WeakPolarHBondContact O-CB 3.46Å; L874-T878 PolarHBondContact O-N 3Å; L874-T878 PolarHBondContact O-OG1 2.88Å
875C98.1Very high96.5Very high0 Ų025.3 Ų25.30%015%0.152CC..Hα-helixtrans-69.7-41.9178.9-65.90000112T864 A868 C871 P872 H873 Y877 T878 W879 L888T864-C875 HydrophobicContact CG2-CB 3.75Å; T864-C875 WeakPolarHBondContact CG2-O 3.27Å; T864-C875 PolarHBondContact O-SG 2.89Å; T864-C875 VanDerWaalsContact O-SG 3.37Å; A868-C875 HydrophobicContact CB-CB 4.01Å; C871-C875 WeakPolarHBondContact O-CB 3.29Å; C871-C875 PolarHBondContact O-N 2.76Å; C871-C875 PolarHBondContact O-SG 3.24Å; P872-C875 PolarHBondContact O-N 2.91Å; H873-C875 PolarHBondContact O-N 3.44Å; C875-Y877 PolarHBondContact O-N 2.87Å; C875-T878 PolarHBondContact O-N 3.19Å; C875-W879 VanDerWaalsContact O-CB 3.29Å; C875-W879 WeakPolarHBondContact O-CB 3.38Å; C875-W879 PolarHBondContact O-N 3.32Å; C875-L888 HydrophobicContact CB-CD1 3.88Å
876E97.9Very high96Very high2 Ų226.8 Ų26.81%0.00917%0.169CC..Hα-helixtrans-61.2-42.9173.8-175.679.7-16600111.4I20 K23 W24 P872 H873 W879 S880 S887 L888I20-E876 HydrophobicContact CD1-CB 4.23Å; I20-E876 HydrophobicContact CD1-CG 3.73Å; I20-E876 HydrophobicContact CG1-CB 4.4Å; I20-E876 HydrophobicContact CG1-CG 4.34Å; I20-E876 HydrophobicContact CG2-CB 3.96Å; I20-E876 HydrophobicContact CG2-CG 3.84Å; K23-E876 IonicContact NZ-OE1 3.64Å; K23-E876 PolarHBondContact NZ-OE1 3.21Å; W24-E876 HydrophobicContact CZ2-CB 4.02Å; W24-E876 HydrophobicContact CZ2-CG 4.22Å; P872-E876 WeakPolarHBondContact O-CB 3.39Å; P872-E876 PolarHBondContact O-N 3.32Å; H873-E876 PolarHBondContact O-N 2.82Å; E876-W879 WeakPolarHBondContact O-CB 3.48Å; E876-W879 PolarHBondContact O-N 3.22Å; E876-S880 PolarHBondContact O-N 3.02Å; E876-S887 VanDerWaalsContact OE1-CA 3.23Å; E876-S887 WeakPolarHBondContact OE1-CA 3.04Å; E876-S887 WeakPolarHBondContact OE1-CB 3.33Å; E876-S887 PolarHBondContact OE1-OG 3.39Å; E876-S887 PolarHBondContact OE2-OG 3.42Å; E876-L888 VanDerWaalsContact OE2-CB 3.23Å; E876-L888 WeakPolarHBondContact OE2-CB 3.23Å; E876-L888 PolarHBondContact OE2-N 3.34Å
877Y97.5Very high95.6Very high45 Ų4527.2 Ų27.218%0.17617%0.172CC..Hα-helixtrans-61.3-48.4173.2177.5-103.9000111.7Y12 I16 V779 H873 L874 C875 W879 S880 L881Y12-Y877 WeakPolarHBondContact OH-CE1 3.48Å; Y12-Y877 PolarHBondContact OH-OH 3.01Å; I16-Y877 HydrophobicContact CD1-CD1 3.67Å; I16-Y877 HydrophobicContact CD1-CD2 4.27Å; I16-Y877 HydrophobicContact CD1-CE1 3.81Å; I16-Y877 HydrophobicContact CD1-CE2 4.4Å; I16-Y877 HydrophobicContact CD1-CG 3.91Å; I16-Y877 HydrophobicContact CG1-CD1 4.4Å; I16-Y877 HydrophobicContact CG1-CD2 4.12Å; I16-Y877 HydrophobicContact CG1-CE2 4.34Å; I16-Y877 HydrophobicContact CG1-CG 4.15Å; I16-Y877 HydrophobicContact CG2-CD2 4.23Å; I16-Y877 HydrophobicContact CG2-CG 3.87Å; V779-Y877 HydrophobicContact CG1-CD1 4.44Å; V779-Y877 HydrophobicContact CG1-CE1 3.99Å; H873-Y877 PolarHBondContact O-N 3.06Å; L874-Y877 PolarHBondContact O-N 3.14Å; C875-Y877 PolarHBondContact O-N 2.87Å; Y877-W879 VanDerWaalsContact C-N 3.27Å; Y877-W879 PolarHBondContact O-N 2.79Å; Y877-S880 PolarHBondContact O-N 2.79Å; Y877-S880 VanDerWaalsContact O-N 3.12Å; Y877-S880 PolarHBondContact O-OG 2.74Å; Y877-L881 HydrophobicContact CD1-CD1 3.99Å; Y877-L881 HydrophobicContact CD1-CG 4.35Å; Y877-L881 HydrophobicContact CE1-CD1 3.46Å; Y877-L881 VanDerWaalsContact CE1-CD1 3.46Å; Y877-L881 HydrophobicContact CE1-CD2 4.39Å; Y877-L881 HydrophobicContact CE1-CG 3.96Å; Y877-L881 PolarHBondContact O-N 3.17Å
878T96.8Very high95.4Very high0 Ų027.2 Ų27.20%017%0.172CC..Hα-helixtrans-59.3-40.2177.1-54.10000111.3V782 I860 T864 L874 C875 S880 L881 L882V782-T878 HydrophobicContact CG1-CG2 4.1Å; V782-T878 HydrophobicContact CG2-CG2 4.21Å; I860-T878 HydrophobicContact CG2-CG2 4.34Å; T864-T878 HydrophobicContact CG2-CG2 4.3Å; T864-T878 WeakPolarHBondContact OG1-CG2 3.47Å; L874-T878 WeakPolarHBondContact O-CB 3.46Å; L874-T878 PolarHBondContact O-N 3Å; L874-T878 PolarHBondContact O-OG1 2.88Å; C875-T878 PolarHBondContact O-N 3.19Å; T878-S880 VanDerWaalsContact C-N 3.33Å; T878-S880 PolarHBondContact O-N 2.93Å; T878-L881 WeakPolarHBondContact O-CB 3.43Å; T878-L881 PolarHBondContact O-N 3.28Å; T878-L882 WeakPolarHBondContact O-CG 3.33Å; T878-L882 PolarHBondContact O-N 3.07Å; T878-L882 VanDerWaalsContact O-N 3.13Å
879W97Very high95.2Very high22 Ų2228.9 Ų28.98%0.08318%0.18CC..Hα-helixtrans-61.5-41176.6-163.2-108.3000112.2E861 T864 L865 C875 E876 Y877 L882 K884 G886 L888 A891E861-W879 HydrophobicContact CG-CH2 3.83Å; E861-W879 HydrophobicContact CG-CZ3 3.61Å; E861-W879 WeakPolarHBondContact OE1-CH2 3.31Å; T864-W879 HydrophobicContact CG2-CE3 4.2Å; L865-W879 HydrophobicContact CD1-CH2 4.44Å; L865-W879 HydrophobicContact CD1-CZ3 4.38Å; L865-W879 HydrophobicContact CD2-CH2 4.11Å; L865-W879 HydrophobicContact CD2-CZ3 3.9Å; L865-W879 HydrophobicContact CG-CH2 4.42Å; L865-W879 HydrophobicContact CG-CZ3 3.99Å; C875-W879 VanDerWaalsContact O-CB 3.29Å; C875-W879 WeakPolarHBondContact O-CB 3.38Å; C875-W879 PolarHBondContact O-N 3.32Å; E876-W879 WeakPolarHBondContact O-CB 3.48Å; E876-W879 PolarHBondContact O-N 3.22Å; Y877-W879 VanDerWaalsContact C-N 3.27Å; Y877-W879 PolarHBondContact O-N 2.79Å; W879-L882 PolarHBondContact O-N 2.85Å; W879-K884 HydrophobicContact CD2-CB 4.18Å; W879-K884 HydrophobicContact CD2-CG 3.93Å; W879-K884 HydrophobicContact CG-CB 4.09Å; W879-K884 HydrophobicContact CG-CG 4.26Å; W879-K884 HydrophobicContact CH2-CD 4.37Å; W879-K884 HydrophobicContact CH2-CG 4.5Å; W879-K884 HydrophobicContact CZ2-CB 4.3Å; W879-K884 HydrophobicContact CZ2-CD 3.86Å; W879-K884 HydrophobicContact CZ2-CG 3.88Å; W879-K884 VanDerWaalsContact NE1-CB 3.27Å; W879-K884 PolarHBondContact O-N 2.89Å; W879-G886 VanDerWaalsContact CD1-O 3.25Å; W879-G886 PolarHBondContact NE1-O 2.73Å; W879-L888 HydrophobicContact CB-CB 4.08Å; W879-L888 HydrophobicContact CB-CD1 4.07Å; W879-L888 HydrophobicContact CD2-CB 4.32Å; W879-L888 HydrophobicContact CD2-CD1 4.16Å; W879-L888 HydrophobicContact CE3-CD1 4.02Å; W879-L888 HydrophobicContact CG-CB 3.89Å; W879-L888 HydrophobicContact CG-CD1 4.2Å; W879-A891 HydrophobicContact CZ2-CB 4.31Å
880S95.4Very high94.8Very high62 Ų6237.4 Ų37.443%0.43422%0.217SC..Hα-helixtrans-67.6-36174.376.80000112.7E876 Y877 T878 L882 G883E876-S880 PolarHBondContact O-N 3.02Å; Y877-S880 PolarHBondContact O-N 2.79Å; Y877-S880 VanDerWaalsContact O-N 3.12Å; Y877-S880 PolarHBondContact O-OG 2.74Å; T878-S880 VanDerWaalsContact C-N 3.33Å; T878-S880 PolarHBondContact O-N 2.93Å; S880-L882 PolarHBondContact O-N 3.35Å; S880-G883 PolarHBondContact O-N 2.9Å
881L95.3Very high94.6Very high52 Ų5238.1 Ų38.127%0.27222%0.223SC..Hα-helixtrans-62.6-31.9174.3-71-178.8000112.5K783 I786 Y877 T878 G883K783-L881 HydrophobicContact CG-CD1 4.11Å; I786-L881 HydrophobicContact CD1-CB 4.05Å; Y877-L881 HydrophobicContact CD1-CD1 3.99Å; Y877-L881 HydrophobicContact CD1-CG 4.35Å; Y877-L881 HydrophobicContact CE1-CD1 3.46Å; Y877-L881 VanDerWaalsContact CE1-CD1 3.46Å; Y877-L881 HydrophobicContact CE1-CD2 4.39Å; Y877-L881 HydrophobicContact CE1-CG 3.96Å; Y877-L881 PolarHBondContact O-N 3.17Å; T878-L881 WeakPolarHBondContact O-CB 3.43Å; T878-L881 PolarHBondContact O-N 3.28Å; L881-G883 PolarHBondContact O-N 2.85Å
882L94.4Very high94.4Very high37 Ų3742.5 Ų42.519%0.19425%0.253CS..THydrogen-bonded Turntrans-72.90.2173.8-65.1177.4000113.6I786 F857 I860 T878 W879 S880 K884I786-L882 HydrophobicContact CD1-CD2 4.48Å; F857-L882 HydrophobicContact CD1-CD2 4Å; F857-L882 HydrophobicContact CE1-CD2 4.19Å; I860-L882 HydrophobicContact CG2-CD1 4.07Å; I860-L882 HydrophobicContact CG2-CD2 3.94Å; I860-L882 HydrophobicContact CG2-CG 4.39Å; T878-L882 WeakPolarHBondContact O-CG 3.33Å; T878-L882 PolarHBondContact O-N 3.07Å; T878-L882 VanDerWaalsContact O-N 3.13Å; W879-L882 PolarHBondContact O-N 2.85Å; S880-L882 PolarHBondContact O-N 3.35Å; L882-K884 VanDerWaalsContact C-N 3.31Å; L882-K884 HydrophobicContact CB-CG 4.15Å; L882-K884 PolarHBondContact O-N 2.92Å
883G92.1Very high94.3Very high60 Ų6043.5 Ų43.562%0.61926%0.257SS*.THydrogen-bonded Turntrans74.417.6179.900000114.2S880 L881S880-G883 PolarHBondContact O-N 2.9Å; L881-G883 PolarHBondContact O-N 2.85Å
884K92.9Very high94.2Very high77 Ų7744 Ų4434%0.33526%0.261SS..  trans-74131.5176.6-58.1-81.1-176.51650109.3E861 W879 L882E861-K884 IonicContact OE1-NZ 3.91Å; E861-K884 PolarHBondContact OE1-NZ 3.38Å; E861-K884 IonicContact OE2-NZ 3.76Å; E861-K884 PolarHBondContact OE2-NZ 3.24Å; W879-K884 HydrophobicContact CD2-CB 4.18Å; W879-K884 HydrophobicContact CD2-CG 3.93Å; W879-K884 HydrophobicContact CG-CB 4.09Å; W879-K884 HydrophobicContact CG-CG 4.26Å; W879-K884 HydrophobicContact CH2-CD 4.37Å; W879-K884 HydrophobicContact CH2-CG 4.5Å; W879-K884 HydrophobicContact CZ2-CB 4.3Å; W879-K884 HydrophobicContact CZ2-CD 3.86Å; W879-K884 HydrophobicContact CZ2-CG 3.88Å; W879-K884 VanDerWaalsContact NE1-CB 3.27Å; W879-K884 PolarHBondContact O-N 2.89Å; L882-K884 VanDerWaalsContact C-N 3.31Å; L882-K884 HydrophobicContact CB-CG 4.15Å; L882-K884 PolarHBondContact O-N 2.92Å
885T86Confident93.9Very high157 Ų15752 Ų5296%0.96330%0.3SS*.SBendtrans-82.3-26.7-171.951.60000114.4
886G87.6Confident93.7Very high39 Ų3953.7 Ų53.740%0.40231%0.314SS..SBendtrans-92.7154.8176.900000113.1W879W879-G886 VanDerWaalsContact CD1-O 3.25Å; W879-G886 PolarHBondContact NE1-O 2.73Å
887S91.7Very high93.4Very high11 Ų1155 Ų558%0.07733%0.328CS..  trans-60144.3170175.40000111.3E876 M889 K890E876-S887 VanDerWaalsContact OE1-CA 3.23Å; E876-S887 WeakPolarHBondContact OE1-CA 3.04Å; E876-S887 WeakPolarHBondContact OE1-CB 3.33Å; E876-S887 PolarHBondContact OE1-OG 3.39Å; E876-S887 PolarHBondContact OE2-OG 3.42Å; S887-M889 PolarHBondContact O-N 2.96Å; S887-M889 PolarHBondContact OG-N 3.24Å; S887-K890 PolarHBondContact O-N 3.2Å; S887-K890 VanDerWaalsContact O-N 3.12Å
888L94.1Very high93.2Very high3 Ų358.5 Ų58.52%0.01636%0.356CS..G310 helixtrans-61.9-25.3176177.9148.4000111.3T864 L865 A868 C875 E876 W879 K890 A891T864-L888 HydrophobicContact CG2-CD1 3.7Å; L865-L888 HydrophobicContact CD2-CD1 4.49Å; A868-L888 HydrophobicContact CB-CD1 4.14Å; A868-L888 HydrophobicContact CB-CD2 3.37Å; A868-L888 HydrophobicContact CB-CG 4.37Å; C875-L888 HydrophobicContact CB-CD1 3.88Å; E876-L888 VanDerWaalsContact OE2-CB 3.23Å; E876-L888 WeakPolarHBondContact OE2-CB 3.23Å; E876-L888 PolarHBondContact OE2-N 3.34Å; W879-L888 HydrophobicContact CB-CB 4.08Å; W879-L888 HydrophobicContact CB-CD1 4.07Å; W879-L888 HydrophobicContact CD2-CB 4.32Å; W879-L888 HydrophobicContact CD2-CD1 4.16Å; W879-L888 HydrophobicContact CE3-CD1 4.02Å; W879-L888 HydrophobicContact CG-CB 3.89Å; W879-L888 HydrophobicContact CG-CD1 4.2Å; L888-K890 PolarHBondContact O-N 3.3Å; L888-A891 WeakPolarHBondContact O-CB 3.38Å; L888-A891 PolarHBondContact O-N 3.22Å
889M92.3Very high93.1Very high37 Ų3760.5 Ų60.518%0.18237%0.368CS..G310 helixtrans-61.2-16.4176.8-61.5-56.8143.600113.7W24 F30 K199 P872 S887W24-M889 HydrophobicContact CH2-CE 3.91Å; W24-M889 HydrophobicContact CZ2-CE 3.29Å; F30-M889 HydrophobicContact CE1-CG 3.94Å; F30-M889 HydrophobicContact CE1-SD 3.96Å; F30-M889 HydrophobicContact CZ-CG 4.32Å; F30-M889 HydrophobicContact CZ-SD 4.34Å; K199-M889 HydrophobicContact CD-SD 4.45Å; P872-M889 HydrophobicContact CB-CE 3.69Å; S887-M889 PolarHBondContact O-N 2.96Å; S887-M889 PolarHBondContact OG-N 3.24Å
890K90.3Very high92.9Very high180 Ų18062.7 Ų62.778%0.78338%0.381SS*.G310 helixtrans-102.93.8175.3-61.2-179.7-179.1176.30113.4S887 L888S887-K890 PolarHBondContact O-N 3.2Å; S887-K890 VanDerWaalsContact O-N 3.12Å; L888-K890 PolarHBondContact O-N 3.3Å
891A94.4Very high92.5Very high16 Ų1664.3 Ų64.313%0.13238%0.382CS..PPolyproline II helixtrans-72.5162.1178.100000111.5L80 L865 W879 L888L80-A891 HydrophobicContact CD2-CB 4.1Å; L80-A891 WeakPolarHBondContact CD2-O 3.24Å; L865-A891 HydrophobicContact CD2-CB 3.6Å; W879-A891 HydrophobicContact CZ2-CB 4.31Å; L888-A891 WeakPolarHBondContact O-CB 3.38Å; L888-A891 PolarHBondContact O-N 3.22Å
892S95Very high92.3Very high91 Ų9164.1 Ų64.164%0.63638%0.383SS*.PPolyproline II helixtrans-103.8154.7174.2-540000111L80L80-S892 CarbonylContact O-C 3.35Å; L80-S892 WeakPolarHBondContact O-CA 3.26Å
893W96Very high92.2Very high21 Ų2163.4 Ų63.48%0.0838%0.379CS..PPolyproline II helixtrans-56.7136.6174.7-172.8-99.7000110.2Y77 L80 K81 T816 E817 Y820 L866 M895Y77-W893 HydrophobicContact CD2-CD2 4.4Å; Y77-W893 AromaticContact CD2-CE3 3.75Å; Y77-W893 HydrophobicContact CD2-CE3 3.75Å; Y77-W893 AromaticContact CD2-CH2 3.92Å; Y77-W893 HydrophobicContact CD2-CH2 3.92Å; Y77-W893 AromaticContact CD2-CZ3 3.5Å; Y77-W893 HydrophobicContact CD2-CZ3 3.5Å; Y77-W893 VanDerWaalsContact CD2-CZ3 3.5Å; Y77-W893 AromaticContact CE2-CD2 3.99Å; Y77-W893 HydrophobicContact CE2-CD2 3.99Å; Y77-W893 AromaticContact CE2-CE3 3.81Å; Y77-W893 HydrophobicContact CE2-CE3 3.81Å; Y77-W893 AromaticContact CE2-CH2 3.92Å; Y77-W893 HydrophobicContact CE2-CH2 3.92Å; Y77-W893 HydrophobicContact CE2-CZ2 4.08Å; Y77-W893 AromaticContact CE2-CZ3 3.8Å; Y77-W893 HydrophobicContact CE2-CZ3 3.8Å; L80-W893 HydrophobicContact CB-CB 4.22Å; L80-W893 HydrophobicContact CB-CE3 4.02Å; L80-W893 HydrophobicContact CD1-CE3 3.87Å; L80-W893 HydrophobicContact CD1-CZ3 4.11Å; L80-W893 PolarHBondContact O-N 3.22Å; K81-W893 HydrophobicContact CD-CB 3.85Å; K81-W893 HydrophobicContact CD-CD2 4.41Å; K81-W893 HydrophobicContact CD-CG 3.88Å; T816-W893 HydrophobicContact CG2-CH2 4.21Å; E817-W893 HydrophobicContact CB-CZ2 3.89Å; Y820-W893 AromaticContact CD2-CH2 3.63Å; Y820-W893 HydrophobicContact CD2-CH2 3.63Å; Y820-W893 HydrophobicContact CD2-CZ3 4.24Å; Y820-W893 AromaticContact CE2-CH2 3.91Å; Y820-W893 HydrophobicContact CE2-CH2 3.91Å; Y820-W893 HydrophobicContact CE2-CZ3 4.37Å; L866-W893 HydrophobicContact CD2-CH2 3.34Å; L866-W893 HydrophobicContact CD2-CZ2 3.36Å; L866-W893 HydrophobicContact CD2-CZ3 4.11Å; W893-M895 PolarHBondContact O-N 2.76Å
894P95.4Very high92.2Very high12 Ų1261.2 Ų61.28%0.07835%0.354CS..PPolyproline II helixtrans-63.6128.6-176.424.8-34000110.9I813 R862 L865 L866 A896I813-P894 HydrophobicContact CD1-CB 4.08Å; I813-P894 HydrophobicContact CD1-CG 4.33Å; I813-P894 HydrophobicContact CG1-CG 4.25Å; I813-P894 HydrophobicContact CG2-CG 4.18Å; I813-P894 WeakPolarHBondContact CG2-O 3.17Å; R862-P894 HydrophobicContact CG-CB 4.03Å; L865-P894 HydrophobicContact CB-CG 4.22Å; L865-P894 HydrophobicContact CD1-CB 4.1Å; L865-P894 HydrophobicContact CD1-CG 4.4Å; L866-P894 HydrophobicContact CD2-CG 3.94Å; L866-P894 HydrophobicContact CG-CG 4.44Å; P894-A896 PolarHBondContact O-N 2.75Å
895M92.5Very high92Very high169 Ų16959.8 Ų59.883%0.83335%0.346SS*.PPolyproline II helixtrans-73.8123.7172.4-64.6-167.2-61.100110.1R862 W893R862-M895 PolarHBondContact NH2-O 3.02Å; W893-M895 PolarHBondContact O-N 2.76Å
896A92.7Very high92.3Very high35 Ų3552.4 Ų52.429%0.28930%0.301SS..PPolyproline II helixtrans-73.4133.9172.200000110.1N810 I813 L814 P894N810-A896 HydrophobicContact CB-CB 4.32Å; I813-A896 HydrophobicContact CB-CB 4.24Å; I813-A896 HydrophobicContact CG2-CB 4.04Å; L814-A896 HydrophobicContact CD1-CB 4.35Å; L814-A896 HydrophobicContact CD2-CB 3.77Å; L814-A896 HydrophobicContact CG-CB 3.75Å; P894-A896 PolarHBondContact O-N 2.75Å
897G92.1Very high92.6Very high30 Ų3050.6 Ų50.631%0.30928%0.282SS..  trans-77.7-172.1166.600000112.2N810N810-G897 VanDerWaalsContact ND2-C 3.32Å; N810-G897 VanDerWaalsContact ND2-CA 3.35Å; N810-G897 WeakPolarHBondContact ND2-CA 3.18Å; N810-G897 PolarHBondContact OD1-N 3.19Å
898P92.2Very high92.5Very high117 Ų11754.6 Ų54.676%0.7630%0.299SS*.  trans-61.1145.317527.7-34.2000110.9N810N810-P898 PolarHBondContact ND2-O 3.49Å
899V94.6Very high92.3Very high43 Ų4355 Ų5526%0.26130%0.301SS..  trans-108.3114.7174.4178.30000107.9N810 A811 L814 E901 I904N810-V899 HydrophobicContact CB-CG2 3.76Å; A811-V899 HydrophobicContact CB-CG1 3.92Å; A811-V899 HydrophobicContact CB-CG2 4.19Å; L814-V899 HydrophobicContact CD1-CG2 3.9Å; V899-E901 HydrophobicContact CG1-CG 4.5Å; V899-E901 PolarHBondContact O-N 2.79Å; V899-I904 HydrophobicContact CG1-CD1 3.79Å
900D92.8Very high92.3Very high67 Ų6753.2 Ų53.236%0.35829%0.292SS..  trans-89.998.2170.7-169.1-32.2000109.6V902 L903 I904D900-V902 VanDerWaalsContact C-N 3.25Å; D900-V902 PolarHBondContact O-N 2.85Å; D900-V902 WeakPolarHBondContact OD1-CA 3.44Å; D900-V902 WeakPolarHBondContact OD1-CB 3.38Å; D900-V902 PolarHBondContact OD1-N 3.24Å; D900-L903 HydrophobicContact CB-CB 4Å; D900-L903 HydrophobicContact CB-CD1 3.88Å; D900-L903 HydrophobicContact CB-CG 4.04Å; D900-L903 PolarHBondContact O-N 3.39Å; D900-L903 PolarHBondContact OD1-N 2.86Å; D900-L903 WeakPolarHBondContact OD2-CG 3.35Å; D900-I904 WeakPolarHBondContact O-CG1 3.22Å; D900-I904 PolarHBondContact O-N 3Å
901E88.8Confident92.4Very high96 Ų9647.3 Ų47.345%0.44927%0.268SS..Hα-helixtrans-60.7-34.2177.7-77.2-73.2154.300112.5V899 I904 R905V899-E901 HydrophobicContact CG1-CG 4.5Å; V899-E901 PolarHBondContact O-N 2.79Å; E901-I904 PolarHBondContact O-N 2.82Å; E901-R905 WeakPolarHBondContact O-CB 3.41Å; E901-R905 WeakPolarHBondContact O-CD 3.04Å; E901-R905 WeakPolarHBondContact O-CG 3.32Å; E901-R905 PolarHBondContact O-N 2.75Å; E901-R905 PolarHBondContact O-NE 3.06Å; E901-R905 IonicContact OE2-CZ 3.43Å; E901-R905 IonicContact OE2-NE 3.07Å; E901-R905 IonicContact OE2-NH2 2.63Å; E901-R905 PolarHBondContact OE2-NH2 3.05Å
902V90.5Very high92.2Very high48 Ų4852.9 Ų52.929%0.29129%0.291SS..Hα-helixtrans-68.9-42.8-179.3179.90000109.7D900 R905 S906 E1021 F1022D900-V902 VanDerWaalsContact C-N 3.25Å; D900-V902 PolarHBondContact O-N 2.85Å; D900-V902 WeakPolarHBondContact OD1-CA 3.44Å; D900-V902 WeakPolarHBondContact OD1-CB 3.38Å; D900-V902 PolarHBondContact OD1-N 3.24Å; V902-R905 PolarHBondContact O-N 2.87Å; V902-S906 WeakPolarHBondContact O-CB 3.28Å; V902-S906 PolarHBondContact O-N 3.38Å; V902-S906 PolarHBondContact O-OG 3.05Å; V902-E1021 HydrophobicContact CG1-CB 4.09Å; V902-E1021 WeakPolarHBondContact CG1-O 2.98Å; V902-E1021 HydrophobicContact CG2-CB 4.14Å; V902-F1022 HydrophobicContact CG1-CB 3.83Å; V902-F1022 HydrophobicContact CG1-CD1 4.24Å
903L92.5Very high92Very high22 Ų2248.9 Ų48.912%0.11526%0.263CS..Hα-helixtrans-61.9-46.4174.8-76-179.6000112.4F800 R803 V804 D900 R905 S906 S907F800-L903 HydrophobicContact CD2-CD2 4Å; F800-L903 HydrophobicContact CE2-CD2 3.8Å; R803-L903 HydrophobicContact CB-CD1 3.7Å; V804-L903 HydrophobicContact CG2-CB 4.13Å; V804-L903 HydrophobicContact CG2-CD2 4.47Å; D900-L903 HydrophobicContact CB-CB 4Å; D900-L903 HydrophobicContact CB-CD1 3.88Å; D900-L903 HydrophobicContact CB-CG 4.04Å; D900-L903 PolarHBondContact O-N 3.39Å; D900-L903 PolarHBondContact OD1-N 2.86Å; D900-L903 WeakPolarHBondContact OD2-CG 3.35Å; L903-R905 VanDerWaalsContact C-N 3.3Å; L903-R905 PolarHBondContact O-N 3.43Å; L903-S906 WeakPolarHBondContact CA-OG 3.45Å; L903-S906 PolarHBondContact O-N 3.5Å; L903-S906 PolarHBondContact O-OG 2.91Å; L903-S907 PolarHBondContact O-N 3.46Å
904I92.3Very high91.8Very high15 Ų1548 Ų488%0.07726%0.26CS..Hα-helixtrans-59.6-44.1178.7-64.8173000110.5E808 A811 V899 D900 E901 S907 Q908E808-I904 HydrophobicContact CG-CD1 4.26Å; E808-I904 HydrophobicContact CG-CG1 3.87Å; E808-I904 HydrophobicContact CG-CG2 4.41Å; A811-I904 HydrophobicContact CB-CD1 3.96Å; V899-I904 HydrophobicContact CG1-CD1 3.79Å; D900-I904 WeakPolarHBondContact O-CG1 3.22Å; D900-I904 PolarHBondContact O-N 3Å; E901-I904 PolarHBondContact O-N 2.82Å; I904-S907 WeakPolarHBondContact O-CB 3.3Å; I904-S907 PolarHBondContact O-N 2.99Å; I904-Q908 WeakPolarHBondContact O-CG 3.32Å; I904-Q908 PolarHBondContact O-N 3.35Å
905R88.1Confident91.6Very high47 Ų4752.7 Ų52.718%0.17728%0.28CS..Hα-helixtrans-64.6-41.8177.4-67.7159.1-163.3-159.7-1.3112.2E901 V902 L903 S907 Q908 Y909 R1014 E1021 F1022E901-R905 WeakPolarHBondContact O-CB 3.41Å; E901-R905 WeakPolarHBondContact O-CD 3.04Å; E901-R905 WeakPolarHBondContact O-CG 3.32Å; E901-R905 PolarHBondContact O-N 2.75Å; E901-R905 PolarHBondContact O-NE 3.06Å; E901-R905 IonicContact OE2-CZ 3.43Å; E901-R905 IonicContact OE2-NE 3.07Å; E901-R905 IonicContact OE2-NH2 2.63Å; E901-R905 PolarHBondContact OE2-NH2 3.05Å; V902-R905 PolarHBondContact O-N 2.87Å; L903-R905 VanDerWaalsContact C-N 3.3Å; L903-R905 PolarHBondContact O-N 3.43Å; R905-S907 VanDerWaalsContact C-N 3.25Å; R905-S907 PolarHBondContact O-N 3.48Å; R905-Q908 WeakPolarHBondContact O-CB 3.3Å; R905-Q908 PolarHBondContact O-N 3.49Å; R905-Q908 VanDerWaalsContact O-N 3.13Å; R905-Y909 PolarHBondContact O-N 3.04Å; R905-R1014 VanDerWaalsContact NH1-CD 3.29Å; R905-E1021 IonicContact CZ-OE2 3.53Å; R905-E1021 IonicContact NE-OE2 3.92Å; R905-E1021 VanDerWaalsContact NH1-CD 3.27Å; R905-E1021 IonicContact NH1-OE1 3.25Å; R905-E1021 PolarHBondContact NH1-OE1 3.39Å; R905-E1021 IonicContact NH1-OE2 2.77Å; R905-E1021 PolarHBondContact NH1-OE2 3.26Å; R905-F1022 HydrophobicContact CB-CE1 4.18Å
906S92.3Very high91.5Very high2 Ų247.3 Ų47.31%0.01426%0.255CS..Hα-helixtrans-62-35.7176.173.60000111.9F800 V902 L903 L910F800-S906 WeakPolarHBondContact CE2-OG 3.09Å; F800-S906 VanDerWaalsContact CZ-OG 3.23Å; F800-S906 WeakPolarHBondContact CZ-OG 3.25Å; V902-S906 WeakPolarHBondContact O-CB 3.28Å; V902-S906 PolarHBondContact O-N 3.38Å; V902-S906 PolarHBondContact O-OG 3.05Å; L903-S906 WeakPolarHBondContact CA-OG 3.45Å; L903-S906 PolarHBondContact O-N 3.5Å; L903-S906 PolarHBondContact O-OG 2.91Å; S906-L910 PolarHBondContact O-N 2.9Å
907S93.1Very high91.4Very high0 Ų045.8 Ų45.80%024%0.242CC..Hα-helixtrans-70-38.3172.3-174.40000112.8V804 K842 L903 I904 R905 L910 M911V804-S907 VanDerWaalsContact CG1-CB 3.43Å; V804-S907 WeakPolarHBondContact CG1-OG 3.45Å; K842-S907 PolarHBondContact NZ-OG 2.95Å; L903-S907 PolarHBondContact O-N 3.46Å; I904-S907 WeakPolarHBondContact O-CB 3.3Å; I904-S907 PolarHBondContact O-N 2.99Å; R905-S907 VanDerWaalsContact C-N 3.25Å; R905-S907 PolarHBondContact O-N 3.48Å; S907-L910 WeakPolarHBondContact O-CB 3.37Å; S907-L910 PolarHBondContact O-N 3.11Å; S907-M911 WeakPolarHBondContact O-CG 3.38Å; S907-M911 PolarHBondContact O-N 3.02Å
908Q90Very high91.4Very high96 Ų9648.1 Ų48.145%0.44924%0.242SC..Hα-helixtrans-60.7-46.6173.1-71.8169.9-6.700110.9I904 R905 L910 M911 E912I904-Q908 WeakPolarHBondContact O-CG 3.32Å; I904-Q908 PolarHBondContact O-N 3.35Å; R905-Q908 WeakPolarHBondContact O-CB 3.3Å; R905-Q908 PolarHBondContact O-N 3.49Å; R905-Q908 VanDerWaalsContact O-N 3.13Å; Q908-L910 VanDerWaalsContact C-N 3.33Å; Q908-L910 PolarHBondContact O-N 3.01Å; Q908-M911 PolarHBondContact O-N 3.16Å; Q908-M911 VanDerWaalsContact O-N 3.13Å; Q908-E912 WeakPolarHBondContact O-CG 3.21Å; Q908-E912 PolarHBondContact O-N 3.15Å
909Y91Very high91.3Very high11 Ų1146.9 Ų46.94%0.04323%0.228CC..Hα-helixtrans-55.8-44.7173.5165.3-101.6000112.4R905 M911 E912 T913 F1022 E1024 V1027 L1028 P1065R905-Y909 PolarHBondContact O-N 3.04Å; Y909-M911 PolarHBondContact O-N 3.15Å; Y909-E912 PolarHBondContact O-N 3.28Å; Y909-T913 VanDerWaalsContact O-CB 3.31Å; Y909-T913 WeakPolarHBondContact O-CB 3.39Å; Y909-T913 PolarHBondContact O-N 2.82Å; Y909-T913 PolarHBondContact O-OG1 2.68Å; Y909-F1022 AromaticContact CD1-CE2 3.77Å; Y909-F1022 HydrophobicContact CD1-CE2 3.77Å; Y909-F1022 HydrophobicContact CD1-CZ 4.3Å; Y909-F1022 HydrophobicContact CE1-CE2 4.41Å; Y909-F1022 AromaticContact CG-CE2 3.9Å; Y909-F1022 HydrophobicContact CG-CE2 3.9Å; Y909-F1022 AromaticContact CG-CZ 3.96Å; Y909-F1022 HydrophobicContact CG-CZ 3.96Å; Y909-E1024 HydrophobicContact CE1-CB 4.17Å; Y909-E1024 HydrophobicContact CE1-CG 4.3Å; Y909-E1024 VanDerWaalsContact CE2-OE1 3.23Å; Y909-E1024 WeakPolarHBondContact CE2-OE1 3.46Å; Y909-E1024 PolarHBondContact OH-OE1 2.82Å; Y909-V1027 HydrophobicContact CD1-CG1 4.22Å; Y909-L1028 HydrophobicContact CE1-CD1 4.5Å; Y909-L1028 HydrophobicContact CE1-CD2 4.14Å; Y909-L1028 HydrophobicContact CE1-CG 4.08Å; Y909-P1065 HydrophobicContact CE2-CG 4.28Å; Y909-P1065 WeakPolarHBondContact OH-CG 3.48Å
910L92.6Very high91.1Very high0 Ų048.3 Ų48.30%023%0.229CC..Hα-helixtrans-59.4-45.3175.5175.567.1000111.8L846 S906 S907 Q908 T913 A914 V1027 L1028 N1031 L1035L846-L910 HydrophobicContact CD1-CD2 4.28Å; L846-L910 HydrophobicContact CD2-CD2 4.31Å; S906-L910 PolarHBondContact O-N 2.9Å; S907-L910 WeakPolarHBondContact O-CB 3.37Å; S907-L910 PolarHBondContact O-N 3.11Å; Q908-L910 VanDerWaalsContact C-N 3.33Å; Q908-L910 PolarHBondContact O-N 3.01Å; L910-T913 PolarHBondContact O-N 2.75Å; L910-A914 WeakPolarHBondContact O-CB 3.47Å; L910-A914 PolarHBondContact O-N 3.23Å; L910-V1027 HydrophobicContact CB-CG1 4.25Å; L910-L1028 HydrophobicContact CD1-CD2 4.19Å; L910-N1031 HydrophobicContact CD1-CB 3.77Å; L910-N1031 HydrophobicContact CD2-CB 3.7Å; L910-N1031 HydrophobicContact CG-CB 4.39Å; L910-L1035 HydrophobicContact CD1-CD1 4.21Å; L910-L1035 HydrophobicContact CD1-CD2 4.4Å; L910-L1035 HydrophobicContact CD1-CG 4.45Å
911M91.6Very high90.8Very high56 Ų5646.1 Ų46.128%0.27622%0.217SC..Hα-helixtrans-67.7-41.2-179.3-69.2-60.8-71.600112.3K842 L846 S907 Q908 Y909 A914 H915K842-M911 HydrophobicContact CD-CE 4.16Å; K842-M911 HydrophobicContact CD-CG 3.76Å; K842-M911 HydrophobicContact CD-SD 3.87Å; K842-M911 HydrophobicContact CG-CE 4.1Å; K842-M911 HydrophobicContact CG-SD 3.95Å; L846-M911 HydrophobicContact CD1-SD 4.38Å; L846-M911 HydrophobicContact CD2-SD 4.46Å; S907-M911 WeakPolarHBondContact O-CG 3.38Å; S907-M911 PolarHBondContact O-N 3.02Å; Q908-M911 PolarHBondContact O-N 3.16Å; Q908-M911 VanDerWaalsContact O-N 3.13Å; Y909-M911 PolarHBondContact O-N 3.15Å; M911-A914 PolarHBondContact O-N 3.42Å; M911-H915 WeakPolarHBondContact O-CB 3.43Å; M911-H915 PolarHBondContact O-N 3.48Å
912E90.3Very high90.8Very high133 Ų13348.6 Ų48.662%0.62123%0.226SC*.Hα-helixtrans-62.7-44.5174.3-72.8179.6-175.700111.2Q908 Y909 H915 D916Q908-E912 WeakPolarHBondContact O-CG 3.21Å; Q908-E912 PolarHBondContact O-N 3.15Å; Y909-E912 PolarHBondContact O-N 3.28Å; E912-H915 PolarHBondContact O-N 3.45Å; E912-D916 PolarHBondContact O-N 3.17Å
913T90.8Very high90.6Very high7 Ų749.1 Ų49.14%0.04324%0.236CC..Hα-helixtrans-62.8-45.2176.5-59.70000111.3Y909 L910 H915 D916 L917 L1028 P1065Y909-T913 VanDerWaalsContact O-CB 3.31Å; Y909-T913 WeakPolarHBondContact O-CB 3.39Å; Y909-T913 PolarHBondContact O-N 2.82Å; Y909-T913 PolarHBondContact O-OG1 2.68Å; L910-T913 PolarHBondContact O-N 2.75Å; T913-H915 VanDerWaalsContact C-N 3.31Å; T913-H915 PolarHBondContact O-N 3.07Å; T913-D916 PolarHBondContact O-N 2.91Å; T913-L917 HydrophobicContact CG2-CD1 4Å; T913-L917 HydrophobicContact CG2-CG 4.33Å; T913-L917 WeakPolarHBondContact O-CB 3.27Å; T913-L917 VanDerWaalsContact O-CG 3.26Å; T913-L917 WeakPolarHBondContact O-CG 3.4Å; T913-L917 PolarHBondContact O-N 3.05Å; T913-L1028 HydrophobicContact CG2-CD2 3.94Å; T913-P1065 HydrophobicContact CG2-CG 3.67Å
914A91.1Very high90.1Very high2 Ų251.9 Ų51.92%0.01725%0.245CC..Hα-helixtrans-60.9-40.5176.200000111.8L910 M911 R918 Y1034 L1035L910-A914 WeakPolarHBondContact O-CB 3.47Å; L910-A914 PolarHBondContact O-N 3.23Å; M911-A914 PolarHBondContact O-N 3.42Å; A914-R918 VanDerWaalsContact O-CG 3.28Å; A914-R918 WeakPolarHBondContact O-CG 3.47Å; A914-R918 PolarHBondContact O-N 2.84Å; A914-R918 VanDerWaalsContact O-N 3.1Å; A914-Y1034 HydrophobicContact CB-CE1 4.4Å; A914-L1035 HydrophobicContact CB-CD2 3.67Å
915H91.5Very high89.5Confident110 Ų11055.1 Ų55.151%0.50926%0.261SS..Hα-helixtrans-64.2-47.9176.1-175.273.1000112.2M911 E912 T913 R918 L919M911-H915 WeakPolarHBondContact O-CB 3.43Å; M911-H915 PolarHBondContact O-N 3.48Å; E912-H915 PolarHBondContact O-N 3.45Å; T913-H915 VanDerWaalsContact C-N 3.31Å; T913-H915 PolarHBondContact O-N 3.07Å; H915-R918 PolarHBondContact O-N 2.83Å; H915-L919 WeakPolarHBondContact NE2-CD1 3.24Å; H915-L919 WeakPolarHBondContact O-CG 3.44Å; H915-L919 PolarHBondContact O-N 2.9Å
916D90.7Very high89.2Confident56 Ų5658 Ų5830%0.29928%0.279SS..Hα-helixtrans-62.2-43.4177.8-177.248.7000111.7E912 T913 R918 L919 R920E912-D916 PolarHBondContact O-N 3.17Å; T913-D916 PolarHBondContact O-N 2.91Å; D916-R918 VanDerWaalsContact C-N 3.34Å; D916-R918 PolarHBondContact O-N 3.45Å; D916-L919 WeakPolarHBondContact O-CB 3.45Å; D916-L919 PolarHBondContact O-N 3.11Å; D916-L919 VanDerWaalsContact O-N 3.16Å; D916-R920 WeakPolarHBondContact O-CG 3.25Å; D916-R920 PolarHBondContact O-N 3.05Å; D916-R920 IonicContact OD1-NE 3.34Å; D916-R920 PolarHBondContact OD1-NE 2.82Å; D916-R920 IonicContact OD1-NH2 2.68Å; D916-R920 IonicContact OD2-CZ 3.35Å; D916-R920 IonicContact OD2-NE 3.77Å; D916-R920 PolarHBondContact OD2-NE 3.31Å; D916-R920 IonicContact OD2-NH2 3.88Å; D916-R920 PolarHBondContact OD2-NH2 3.04Å
917L91.6Very high88.1Confident3 Ų361.1 Ų61.12%0.01630%0.3CS..Hα-helixtrans-59.6-42.1175.3-72.1172.6000112.2T913 R920 L921 I946 L1039 S1067 F1069T913-L917 HydrophobicContact CG2-CD1 4Å; T913-L917 HydrophobicContact CG2-CG 4.33Å; T913-L917 WeakPolarHBondContact O-CB 3.27Å; T913-L917 VanDerWaalsContact O-CG 3.26Å; T913-L917 WeakPolarHBondContact O-CG 3.4Å; T913-L917 PolarHBondContact O-N 3.05Å; L917-R920 PolarHBondContact O-N 2.8Å; L917-L921 VanDerWaalsContact O-CB 3.3Å; L917-L921 WeakPolarHBondContact O-CB 3.48Å; L917-L921 PolarHBondContact O-N 3.04Å; L917-I946 HydrophobicContact CD1-CD1 3.72Å; L917-I946 HydrophobicContact CD2-CD1 4.47Å; L917-I946 HydrophobicContact CD2-CG1 4.41Å; L917-L1039 HydrophobicContact CB-CD1 3.87Å; L917-L1039 HydrophobicContact CB-CD2 4.14Å; L917-L1039 HydrophobicContact CD1-CD1 4.02Å; L917-S1067 VanDerWaalsContact CD2-CB 3.41Å; L917-F1069 HydrophobicContact CD2-CZ 4.5Å
918R91.1Very high86.9Confident80 Ų8065 Ų6530%0.30233%0.325SS..Hα-helixtrans-63.3-41.8175.4-72.2171.5-172.3147.2-5.2111.5E845 A914 H915 D916 K922 Y1034 S1038 L1039E845-R918 IonicContact OE1-NH2 3.89Å; E845-R918 PolarHBondContact OE1-NH2 3.09Å; A914-R918 VanDerWaalsContact O-CG 3.28Å; A914-R918 WeakPolarHBondContact O-CG 3.47Å; A914-R918 PolarHBondContact O-N 2.84Å; A914-R918 VanDerWaalsContact O-N 3.1Å; H915-R918 PolarHBondContact O-N 2.83Å; D916-R918 VanDerWaalsContact C-N 3.34Å; D916-R918 PolarHBondContact O-N 3.45Å; R918-K922 PolarHBondContact O-N 3.01Å; R918-Y1034 PolarHBondContact NH2-OH 3.36Å; R918-S1038 PolarHBondContact NE-OG 2.81Å; R918-S1038 PolarHBondContact NH2-OG 3.39Å; R918-L1039 HydrophobicContact CB-CD2 4.28Å; R918-L1039 HydrophobicContact CG-CD2 3.56Å
919L90.9Very high85.3Confident91 Ų9170.3 Ų70.348%0.47635%0.346SS..Hα-helixtrans-64-45.4176.3-72.9176.2000111.8H915 D916 K922 A923H915-L919 WeakPolarHBondContact NE2-CD1 3.24Å; H915-L919 WeakPolarHBondContact O-CG 3.44Å; H915-L919 PolarHBondContact O-N 2.9Å; D916-L919 WeakPolarHBondContact O-CB 3.45Å; D916-L919 PolarHBondContact O-N 3.11Å; D916-L919 VanDerWaalsContact O-N 3.16Å; L919-K922 PolarHBondContact O-N 2.84Å; L919-A923 WeakPolarHBondContact O-CB 3.41Å; L919-A923 PolarHBondContact O-N 3.47Å
920R89.2Confident83.5Confident73 Ų7377.5 Ų77.528%0.27539%0.385SS..Hα-helixtrans-66.1-38.1177.8-68.2-178.7-170.4-168.79.3112.3D916 L917 A923 Y924 P1065 S1067 F1069D916-R920 WeakPolarHBondContact O-CG 3.25Å; D916-R920 PolarHBondContact O-N 3.05Å; D916-R920 IonicContact OD1-NE 3.34Å; D916-R920 PolarHBondContact OD1-NE 2.82Å; D916-R920 IonicContact OD1-NH2 2.68Å; D916-R920 IonicContact OD2-CZ 3.35Å; D916-R920 IonicContact OD2-NE 3.77Å; D916-R920 PolarHBondContact OD2-NE 3.31Å; D916-R920 IonicContact OD2-NH2 3.88Å; D916-R920 PolarHBondContact OD2-NH2 3.04Å; L917-R920 PolarHBondContact O-N 2.8Å; R920-A923 PolarHBondContact O-N 2.71Å; R920-Y924 WeakPolarHBondContact O-CB 3.37Å; R920-Y924 PolarHBondContact O-N 2.99Å; R920-P1065 PolarHBondContact NH2-O 3.31Å; R920-S1067 VanDerWaalsContact CD-OG 3.23Å; R920-S1067 WeakPolarHBondContact CD-OG 3.46Å; R920-S1067 VanDerWaalsContact NH1-N 3.16Å; R920-S1067 PolarHBondContact NH1-OG 3.18Å; R920-F1069 HydrophobicContact CB-CE2 3.75Å; R920-F1069 HydrophobicContact CB-CZ 4.5Å
921L87.9Confident81.4Confident20 Ų2085.8 Ų85.811%0.10542%0.422CS..Hα-helixtrans-60.3-46.7173.2179.260000110.7L917 A923 Y924 M925 P941 L1039 F1069L917-L921 VanDerWaalsContact O-CB 3.3Å; L917-L921 WeakPolarHBondContact O-CB 3.48Å; L917-L921 PolarHBondContact O-N 3.04Å; L921-A923 VanDerWaalsContact C-N 3.32Å; L921-A923 PolarHBondContact O-N 3.35Å; L921-Y924 PolarHBondContact O-N 3.04Å; L921-M925 WeakPolarHBondContact O-CG 3.43Å; L921-M925 PolarHBondContact O-N 2.72Å; L921-M925 VanDerWaalsContact O-N 3.09Å; L921-P941 HydrophobicContact CD1-CG 3.3Å; L921-L1039 HydrophobicContact CD2-CB 4.34Å; L921-L1039 HydrophobicContact CD2-CD2 4.04Å; L921-F1069 HydrophobicContact CB-CE1 4.11Å; L921-F1069 HydrophobicContact CB-CE2 4.29Å; L921-F1069 HydrophobicContact CB-CZ 3.75Å; L921-F1069 HydrophobicContact CD1-CD1 4.11Å; L921-F1069 HydrophobicContact CD1-CE1 3.93Å; L921-F1069 HydrophobicContact CD1-CZ 4.36Å
922K88Confident79.2Confident148 Ų14894.1 Ų94.164%0.64346%0.456SS*.Hα-helixtrans-61-41.2175.4-172.6178.7-178.3179.30111.9R918 L919 M925 L926R918-K922 PolarHBondContact O-N 3.01Å; L919-K922 PolarHBondContact O-N 2.84Å; K922-M925 PolarHBondContact O-N 2.98Å; K922-L926 WeakPolarHBondContact O-CG 3.42Å; K922-L926 PolarHBondContact O-N 2.9Å
923A86.1Confident77.4Confident60 Ų6090.4 Ų90.450%0.49645%0.453SS..Hα-helixtrans-66.2-39.8177.300000112.5L919 R920 L921 M925 L926L919-A923 WeakPolarHBondContact O-CB 3.41Å; L919-A923 PolarHBondContact O-N 3.47Å; R920-A923 PolarHBondContact O-N 2.71Å; L921-A923 VanDerWaalsContact C-N 3.32Å; L921-A923 PolarHBondContact O-N 3.35Å; A923-M925 VanDerWaalsContact C-N 3.3Å; A923-M925 PolarHBondContact O-N 3.06Å; A923-L926 PolarHBondContact O-N 2.8Å
924Y82.9Confident75.4Confident79 Ų7998.3 Ų98.331%0.3150%0.496SS..Hα-helixtrans-61.7-38.3175.3-179.2-90.2000111.8R920 L921 L926 P938 P941 F1069R920-Y924 WeakPolarHBondContact O-CB 3.37Å; R920-Y924 PolarHBondContact O-N 2.99Å; L921-Y924 PolarHBondContact O-N 3.04Å; Y924-L926 PolarHBondContact O-N 3.27Å; Y924-P938 HydrophobicContact CD1-CG 4.46Å; Y924-P938 HydrophobicContact CE1-CB 4.16Å; Y924-P938 HydrophobicContact CE1-CG 4.28Å; Y924-P938 WeakPolarHBondContact O-CG 3.48Å; Y924-P941 HydrophobicContact CD1-CB 4.46Å; Y924-P941 HydrophobicContact CD1-CG 3.99Å; Y924-P941 HydrophobicContact CE1-CB 4.08Å; Y924-P941 HydrophobicContact CE1-CG 4.06Å; Y924-F1069 HydrophobicContact CD2-CB 4.2Å; Y924-F1069 HydrophobicContact CE2-CB 4.32Å; Y924-F1069 HydrophobicContact CG-CB 4.36Å
925M79.9Confident73.7Confident83 Ų83100.5 Ų100.541%0.40951%0.511SS..THydrogen-bonded Turntrans-74.3-8.6179.4-66.7-175.375.900114.3L921 K922 A923 K940L921-M925 WeakPolarHBondContact O-CG 3.43Å; L921-M925 PolarHBondContact O-N 2.72Å; L921-M925 VanDerWaalsContact O-N 3.09Å; K922-M925 PolarHBondContact O-N 2.98Å; A923-M925 VanDerWaalsContact C-N 3.3Å; A923-M925 PolarHBondContact O-N 3.06Å; M925-K940 HydrophobicContact CE-CB 4.48Å; M925-K940 HydrophobicContact CE-CG 4.29Å
926L80.4Confident72.1Confident108 Ų108104.1 Ų104.157%0.56553%0.525SS*.SBendtrans-85144.2176-70.5168.9000111.1K922 A923 Y924K922-L926 WeakPolarHBondContact O-CG 3.42Å; K922-L926 PolarHBondContact O-N 2.9Å; A923-L926 PolarHBondContact O-N 2.8Å; Y924-L926 PolarHBondContact O-N 3.27Å
927P70.4Confident70.6Confident67 Ų67105.8 Ų105.844%0.43554%0.539SS..PPolyproline II helixtrans-63.7141.6177.324.5-31.8000111.5K929P927-K929 PolarHBondContact O-N 2.97Å
928P67.1Low69.3Low81 Ų81107.9 Ų107.953%0.52655%0.553SS.*PPolyproline II helixtrans-64.7123.3-177.224.8-33.9000111.7N930P928-N930 PolarHBondContact O-N 2.9Å
929K56Low68.2Low209 Ų209107.4 Ų107.491%0.90957%0.566SS**THydrogen-bonded Turntrans-64.3-5.8-172-76.6-175.5174.4-179.80116.7P927P927-K929 PolarHBondContact O-N 2.97Å
930N54.2Low67.6Low161 Ų161107.9 Ų107.986%0.86156%0.564SS**THydrogen-bonded Turntrans-129.425.7-163.8-86.1-2.7000117.2P928P928-N930 PolarHBondContact O-N 2.9Å
931K47.4Very low67.3Low175 Ų175104.6 Ų104.676%0.76155%0.552SS**  trans-124.7117.5166.1-78.1-174.2177179.50110.9G933K931-G933 VanDerWaalsContact C-N 3.33Å; K931-G933 PolarHBondContact O-N 3.11Å
932K46.8Very low67Low231 Ų231104 Ų104100%1.00455%0.549SS*.SBendtrans-6395.2165.5-81.9-177174.7179.60108
933G51.6Low66.8Low54 Ų5497.4 Ų97.456%0.55752%0.521SS*.SBendtrans165.7146.4179.600000108.9K931 S935K931-G933 VanDerWaalsContact C-N 3.33Å; K931-G933 PolarHBondContact O-N 3.11Å; G933-S935 VanDerWaalsContact C-N 3.26Å; G933-S935 PolarHBondContact O-N 3.49Å
934D48.6Very low67Low174 Ų17494.6 Ų94.693%0.9350%0.497SS*.  trans-64.779.9-175.8-153.715.9000110.7K936D934-K936 PolarHBondContact O-N 2.97Å
935S55Low67.4Low48 Ų4891 Ų9134%0.33648%0.484SS..  trans-85.3104.9-176720000109.5G933G933-S935 VanDerWaalsContact C-N 3.26Å; G933-S935 PolarHBondContact O-N 3.49Å
936K58.3Low68Low186 Ų18687.1 Ų87.181%0.80947%0.465SS*.PPolyproline II helixtrans-55.4142.2170.5-69.5-179.4179.7177.90110.2D934D934-K936 PolarHBondContact O-N 2.97Å
937P58.5Low68.5Low90 Ų9083.6 Ų83.658%0.58444%0.444SS*.PPolyproline II helixtrans-57.4140173.622.8-31000109.9
938P65.9Low69.5Low48 Ų4880.6 Ų80.631%0.31243%0.425SS..PPolyproline II helixtrans-60.5147.7176.824.6-32000110.7Y924Y924-P938 HydrophobicContact CD1-CG 4.46Å; Y924-P938 HydrophobicContact CE1-CB 4.16Å; Y924-P938 HydrophobicContact CE1-CG 4.28Å; Y924-P938 WeakPolarHBondContact O-CG 3.48Å
939A67.9Low70.5Confident70 Ų7077.2 Ų77.258%0.57940%0.403SS*.PPolyproline II helixtrans-58.7146.7177.800000110.7S1071A939-S1071 PolarHBondContact O-OG 3.38Å
940K76.5Confident71.7Confident101 Ų10174.1 Ų74.144%0.43939%0.39SS..PPolyproline II helixtrans-53.1127.6177-170.1-179.9-177.5-177.60108.8M925 E1040M925-K940 HydrophobicContact CE-CB 4.48Å; M925-K940 HydrophobicContact CE-CG 4.29Å; K940-E1040 IonicContact NZ-OE2 2.82Å; K940-E1040 PolarHBondContact NZ-OE2 3.22Å
941P83.3Confident73Confident3 Ų369.9 Ų69.92%0.01937%0.373CS..PPolyproline II helixtrans-68.5146-17928.3-33.2000110.5L921 Y924 L1041 F1069 S1071L921-P941 HydrophobicContact CD1-CG 3.3Å; Y924-P941 HydrophobicContact CD1-CB 4.46Å; Y924-P941 HydrophobicContact CD1-CG 3.99Å; Y924-P941 HydrophobicContact CE1-CB 4.08Å; Y924-P941 HydrophobicContact CE1-CG 4.06Å; P941-L1041 HydrophobicContact CG-CD2 4.33Å; P941-L1041 WeakPolarHBondContact O-CD2 3.33Å; P941-F1069 HydrophobicContact CB-CB 3.83Å; P941-F1069 HydrophobicContact CB-CD1 4.22Å; P941-F1069 HydrophobicContact CB-CG 4.41Å; P941-F1069 HydrophobicContact CG-CB 4.13Å; P941-F1069 HydrophobicContact CG-CD1 3.98Å; P941-F1069 HydrophobicContact CG-CG 4.26Å; P941-S1071 WeakPolarHBondContact CA-OG 3.29Å
942S81.3Confident74.8Confident7 Ų762.8 Ų62.85%0.04934%0.342CS..  trans-101.3-30.1177.858.90000112.7E1042 R1070 E1072 R1096S942-E1042 WeakPolarHBondContact O-CB 3.37Å; S942-E1042 PolarHBondContact O-N 3.21Å; S942-R1070 PolarHBondContact N-O 3.45Å; S942-R1070 VanDerWaalsContact N-O 3.16Å; S942-E1072 PolarHBondContact OG-N 2.84Å; S942-R1096 VanDerWaalsContact CB-CZ 3.49Å; S942-R1096 VanDerWaalsContact CB-NH2 3.26Å; S942-R1096 PolarHBondContact OG-NH1 3.41Å
943H85.4Confident76.7Confident11 Ų1152.3 Ų52.35%0.05130%0.297CS..EExtended strand (participates in β ladder)trans-125152.6-177.8-67.278.2000111.6Q1043 R1070 E1072 R1096H943-Q1043 WeakPolarHBondContact CA-O 3.36Å; H943-R1070 HydrophobicContact CB-CG 3.58Å; H943-R1070 PolarHBondContact N-O 3.02Å; H943-R1070 PolarHBondContact O-N 3.46Å; H943-E1072 IonicContact CE1-OE1 3.74Å; H943-E1072 IonicContact CE1-OE2 2.99Å; H943-E1072 PolarHBondContact CE1-OE2 2.97Å; H943-E1072 IonicContact ND1-OE1 2.77Å; H943-E1072 IonicContact ND1-OE2 3.3Å; H943-E1072 IonicContact NE2-OE1 2.62Å; H943-E1072 IonicContact NE2-OE2 3.61Å; H943-R1096 PolarHBondContact CE1-NH1 3.44Å
944C90.3Very high78.4Confident0 Ų055 Ų550%030%0.304CS..EExtended strand (participates in β ladder)trans-132.6135.1169.6-178.40000109.6L1041 Q1043 I1044 D1045 V1068 F1069C944-L1041 HydrophobicContact CB-CD1 3.53Å; C944-Q1043 PolarHBondContact N-O 3.17Å; C944-Q1043 VanDerWaalsContact N-O 3.15Å; C944-I1044 HydrophobicContact CB-CG1 4.29Å; C944-I1044 CarbonylContact O-C 3.53Å; C944-I1044 VanDerWaalsContact O-CA 3.24Å; C944-I1044 WeakPolarHBondContact O-CA 3.45Å; C944-D1045 PolarHBondContact O-N 3.39Å; C944-V1068 CarbonylContact C-O 3.52Å; C944-V1068 WeakPolarHBondContact CA-O 3.32Å; C944-F1069 HydrophobicContact CB-CD1 3.88Å; C944-F1069 HydrophobicContact CB-CE1 3.93Å
945T91Very high80.2Confident5 Ų547 Ų473%0.03126%0.261CS..EExtended strand (participates in β ladder)trans-108.8121.2169.9-53.90000108.7Y947 D1045 L1047 S1067 V1068 R1070T945-Y947 HydrophobicContact CG2-CD2 4.37Å; T945-Y947 HydrophobicContact CG2-CE1 3.93Å; T945-Y947 HydrophobicContact CG2-CE2 3.78Å; T945-D1045 CarbonylContact C-O 3.52Å; T945-D1045 WeakPolarHBondContact CA-O 3.39Å; T945-D1045 HydrophobicContact CG2-CB 4.2Å; T945-L1047 HydrophobicContact CG2-CD1 3.77Å; T945-L1047 HydrophobicContact CG2-CG 4.1Å; T945-S1067 CarbonylContact O-C 3.58Å; T945-S1067 VanDerWaalsContact O-CA 3.29Å; T945-S1067 WeakPolarHBondContact O-CA 3.14Å; T945-V1068 PolarHBondContact N-O 3.34Å; T945-V1068 PolarHBondContact O-N 2.84Å; T945-R1070 PolarHBondContact OG1-NH1 2.84Å
946I92.5Very high81.8Confident1 Ų145.1 Ų45.11%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-99.9126.3175.9-55.8175.7000108.2L917 V948 L1028 I1044 D1045 V1046 L1047 P1065 F1066L917-I946 HydrophobicContact CD1-CD1 3.72Å; L917-I946 HydrophobicContact CD2-CD1 4.47Å; L917-I946 HydrophobicContact CD2-CG1 4.41Å; I946-V948 HydrophobicContact CG2-CG2 4.37Å; I946-L1028 HydrophobicContact CG2-CD1 4Å; I946-I1044 HydrophobicContact CD1-CG2 3.55Å; I946-I1044 HydrophobicContact CG1-CG2 3.87Å; I946-D1045 PolarHBondContact N-O 2.81Å; I946-V1046 WeakPolarHBondContact O-CA 3.45Å; I946-L1047 PolarHBondContact O-N 3.44Å; I946-P1065 HydrophobicContact CG2-CB 3.73Å; I946-F1066 CarbonylContact C-O 3.51Å; I946-F1066 WeakPolarHBondContact CA-O 3.33Å
947Y91.2Very high83.2Confident34 Ų3439.7 Ų39.713%0.13322%0.224CC..EExtended strand (participates in β ladder)trans-106.6129.5176.2-63.6-77.1000110.4T945 L1047 A1052 V1056 C1060 P1065 F1066 V1068T945-Y947 HydrophobicContact CG2-CD2 4.37Å; T945-Y947 HydrophobicContact CG2-CE1 3.93Å; T945-Y947 HydrophobicContact CG2-CE2 3.78Å; Y947-L1047 WeakPolarHBondContact CA-O 3.22Å; Y947-L1047 HydrophobicContact CD1-CB 3.93Å; Y947-L1047 HydrophobicContact CE1-CB 3.97Å; Y947-L1047 HydrophobicContact CE1-CD1 3.99Å; Y947-A1052 HydrophobicContact CD1-CB 3.6Å; Y947-A1052 HydrophobicContact CD2-CB 4.39Å; Y947-A1052 HydrophobicContact CE1-CB 3.52Å; Y947-A1052 HydrophobicContact CE2-CB 4.32Å; Y947-A1052 HydrophobicContact CG-CB 4.03Å; Y947-V1056 HydrophobicContact CD2-CG1 3.81Å; Y947-V1056 HydrophobicContact CG-CG1 3.79Å; Y947-C1060 PolarHBondContact O-SG 3.03Å; Y947-C1060 VanDerWaalsContact O-SG 3.36Å; Y947-P1065 WeakPolarHBondContact O-CA 3.45Å; Y947-P1065 WeakPolarHBondContact O-CB 3.46Å; Y947-F1066 PolarHBondContact N-O 3.25Å; Y947-F1066 PolarHBondContact O-N 2.99Å; Y947-V1068 HydrophobicContact CE2-CG2 4.15Å
948V90.7Very high84.6Confident4 Ų436.6 Ų36.62%0.02421%0.205CC..EExtended strand (participates in β ladder)trans-118.9129.6-178.5-176.10000109.3I946 E1024 L1028 V1046 L1047 F1048 A1049 P1065I946-V948 HydrophobicContact CG2-CG2 4.37Å; V948-E1024 HydrophobicContact CG1-CB 3.52Å; V948-E1024 HydrophobicContact CG1-CG 4.31Å; V948-E1024 WeakPolarHBondContact CG1-OE2 3.43Å; V948-L1028 HydrophobicContact CG2-CD1 3.85Å; V948-V1046 HydrophobicContact CG2-CG1 3.98Å; V948-L1047 PolarHBondContact N-O 3.38Å; V948-F1048 CarbonylContact O-C 3.56Å; V948-F1048 WeakPolarHBondContact O-CA 3.48Å; V948-A1049 PolarHBondContact O-N 3.18Å; V948-P1065 HydrophobicContact CG2-CB 4.43Å
949A87.1Confident85.7Confident9 Ų934.3 Ų34.37%0.07419%0.19CC..  trans-90.7131.817900000110.6A1049 C1060 P1062A949-A1049 HydrophobicContact CB-CB 4.27Å; A949-C1060 HydrophobicContact CB-CB 4.39Å; A949-P1062 HydrophobicContact CB-CG 4.48Å
950K81.5Confident86.7Confident145 Ų14531 Ų3163%0.6316%0.163SC*.SBendtrans-74.1-34.1176.9-68.4-174.4178.3-178.40113F1048K950-F1048 HydrophobicContact CD-CD1 4.2Å; K950-F1048 HydrophobicContact CD-CE1 4.18Å; K950-F1048 VanDerWaalsContact CE-CD1 3.49Å; K950-F1048 VanDerWaalsContact CE-CE2 3.47Å; K950-F1048 HydrophobicContact CG-CD1 3.66Å; K950-F1048 HydrophobicContact CG-CE1 3.72Å; K950-F1048 HydrophobicContact CG-CG 4.42Å
951S82.8Confident87.3Confident72 Ų7228.3 Ų28.350%0.50316%0.157SC..SBendtrans-138.6155.7-17862.20000109.2
952Y85.3Confident87.6Confident26 Ų2629.4 Ų29.410%0.10216%0.162CC..  trans-56.9141.4170.6-76.6-76.7000111.1Q956 L960 F1000 L1018 C1061 P1062Y952-Q956 HydrophobicContact CD1-CB 4.06Å; Y952-Q956 HydrophobicContact CG-CB 4.48Å; Y952-L960 HydrophobicContact CD2-CD2 3.92Å; Y952-L960 HydrophobicContact CE2-CD2 3.63Å; Y952-F1000 HydrophobicContact CD1-CZ 4.48Å; Y952-F1000 HydrophobicContact CE1-CZ 4.38Å; Y952-L1018 WeakPolarHBondContact CD2-O 3.48Å; Y952-C1061 HydrophobicContact CD1-CB 3.99Å; Y952-C1061 HydrophobicContact CE1-CB 4.03Å; Y952-P1062 HydrophobicContact CD2-CG 4.29Å; Y952-P1062 HydrophobicContact CE2-CB 4.48Å; Y952-P1062 HydrophobicContact CE2-CG 4.29Å; Y952-P1062 HydrophobicContact CG-CG 4.42Å
953P86.3Confident88.1Confident10 Ų1029.1 Ų29.17%0.06516%0.16CC..  trans-52.4149.4169.1-26.834000111.2W955 Q956 H957 C1060P953-W955 PolarHBondContact O-N 2.73Å; P953-Q956 WeakPolarHBondContact O-CA 3.39Å; P953-Q956 PolarHBondContact O-N 2.92Å; P953-H957 PolarHBondContact O-N 2.91Å; P953-C1060 WeakPolarHBondContact CG-O 3.47Å
954P86Confident88.2Confident110 Ų11029.2 Ų29.271%0.71416%0.164SC*.Hα-helixtrans-50.5-41-172.1-29.534.4000114.3H957 S958P954-H957 PolarHBondContact O-N 2.99Å; P954-S958 PolarHBondContact O-N 2.95Å; P954-S958 PolarHBondContact O-OG 3.28Å
955W87.5Confident88.2Confident8 Ų836.3 Ų36.33%0.0320%0.195CC..Hα-helixtrans-70.8-34179.773.4-93.7000113.4P953 A959 L990 Y993 R996 V997 F1000P953-W955 PolarHBondContact O-N 2.73Å; W955-A959 WeakPolarHBondContact O-CB 3.49Å; W955-A959 PolarHBondContact O-N 3.39Å; W955-L990 VanDerWaalsContact CA-CD2 3.47Å; W955-L990 HydrophobicContact CB-CD2 3.58Å; W955-L990 VanDerWaalsContact O-CD2 3.27Å; W955-L990 WeakPolarHBondContact O-CD2 3.33Å; W955-Y993 HydrophobicContact CB-CD2 3.59Å; W955-Y993 HydrophobicContact CB-CE2 4.21Å; W955-Y993 HydrophobicContact CB-CG 3.8Å; W955-Y993 AromaticContact CD1-CD1 3.82Å; W955-Y993 AromaticContact CD1-CE1 3.97Å; W955-Y993 AromaticContact CD1-CG 3.94Å; W955-Y993 HydrophobicContact CD2-CD1 4.36Å; W955-Y993 HydrophobicContact CD2-CG 4.18Å; W955-Y993 HydrophobicContact CG-CD1 4.01Å; W955-Y993 AromaticContact CG-CD2 3.95Å; W955-Y993 HydrophobicContact CG-CD2 3.95Å; W955-Y993 HydrophobicContact CG-CE2 4.48Å; W955-Y993 AromaticContact CG-CG 3.7Å; W955-Y993 HydrophobicContact CG-CG 3.7Å; W955-R996 HydrophobicContact CH2-CB 3.84Å; W955-R996 HydrophobicContact CZ2-CB 4.27Å; W955-R996 HydrophobicContact CZ3-CB 4.22Å; W955-V997 HydrophobicContact CE3-CG2 3.84Å; W955-V997 HydrophobicContact CZ3-CG2 4.16Å; W955-F1000 HydrophobicContact CH2-CB 4.14Å; W955-F1000 HydrophobicContact CH2-CG 4.43Å; W955-F1000 HydrophobicContact CZ3-CB 3.97Å; W955-F1000 HydrophobicContact CZ3-CG 4.22Å
956Q87.7Confident88.1Confident8 Ų837 Ų374%0.03720%0.198CC..Hα-helixtrans-74-39.4174.8-67.7-1771.200110.5Y952 P953 A959 L960 F1000Y952-Q956 HydrophobicContact CD1-CB 4.06Å; Y952-Q956 HydrophobicContact CG-CB 4.48Å; P953-Q956 WeakPolarHBondContact O-CA 3.39Å; P953-Q956 PolarHBondContact O-N 2.92Å; Q956-A959 PolarHBondContact O-N 2.75Å; Q956-L960 VanDerWaalsContact O-CB 3.32Å; Q956-L960 WeakPolarHBondContact O-CB 3.33Å; Q956-L960 PolarHBondContact O-N 3.5Å; Q956-F1000 HydrophobicContact CB-CE1 4.15Å; Q956-F1000 HydrophobicContact CB-CE2 4.28Å; Q956-F1000 HydrophobicContact CB-CZ 3.91Å; Q956-F1000 HydrophobicContact CG-CD2 4.22Å; Q956-F1000 HydrophobicContact CG-CE1 4.41Å; Q956-F1000 HydrophobicContact CG-CE2 4.04Å; Q956-F1000 HydrophobicContact CG-CG 4.48Å; Q956-F1000 HydrophobicContact CG-CZ 4.14Å
957H88.4Confident87.9Confident71 Ų7139.7 Ų39.733%0.32921%0.208SC..Hα-helixtrans-60.3-48176.4-175.1-74.8000111.7P953 P954 A959 L960 S961P953-H957 PolarHBondContact O-N 2.91Å; P954-H957 PolarHBondContact O-N 2.99Å; H957-A959 VanDerWaalsContact C-N 3.33Å; H957-A959 PolarHBondContact O-N 2.69Å; H957-L960 PolarHBondContact O-N 2.81Å; H957-S961 PolarHBondContact CE1-OG 2.89Å; H957-S961 PolarHBondContact ND1-OG 3.06Å; H957-S961 VanDerWaalsContact O-CB 3.25Å; H957-S961 WeakPolarHBondContact O-CB 3.34Å; H957-S961 PolarHBondContact O-N 3.27Å; H957-S961 PolarHBondContact O-OG 2.77Å
958S87.5Confident87.8Confident25 Ų2546.8 Ų46.818%0.17524%0.24CC..Hα-helixtrans-62-40.5175.7-65.90000111.9P954 L962 E989P954-S958 PolarHBondContact O-N 2.95Å; P954-S958 PolarHBondContact O-OG 3.28Å; S958-L962 PolarHBondContact O-N 2.77Å; S958-L962 VanDerWaalsContact O-N 3.12Å; S958-E989 WeakPolarHBondContact CB-OE1 3.48Å; S958-E989 PolarHBondContact OG-OE1 3.03Å
959A88.6Confident87.6Confident0 Ų050 Ų500%026%0.262CS..Hα-helixtrans-65.2-46.2176.700000112.5W955 Q956 H957 L962 L963 L984 F1000W955-A959 WeakPolarHBondContact O-CB 3.49Å; W955-A959 PolarHBondContact O-N 3.39Å; Q956-A959 PolarHBondContact O-N 2.75Å; H957-A959 VanDerWaalsContact C-N 3.33Å; H957-A959 PolarHBondContact O-N 2.69Å; A959-L962 PolarHBondContact O-N 3.34Å; A959-L963 WeakPolarHBondContact O-CG 3.31Å; A959-L963 PolarHBondContact O-N 2.84Å; A959-L984 HydrophobicContact CB-CD2 4.01Å; A959-F1000 HydrophobicContact CB-CD1 4.26Å; A959-F1000 HydrophobicContact CB-CE1 4.32Å
960L90.1Very high87.5Confident0 Ų052.9 Ų52.90%028%0.277CS..Hα-helixtrans-67.6-38.9-179.8-160.966.4000111.7Y952 Q956 H957 L962 L963 G964 F1000 I1004 L1016 L1018Y952-L960 HydrophobicContact CD2-CD2 3.92Å; Y952-L960 HydrophobicContact CE2-CD2 3.63Å; Q956-L960 VanDerWaalsContact O-CB 3.32Å; Q956-L960 WeakPolarHBondContact O-CB 3.33Å; Q956-L960 PolarHBondContact O-N 3.5Å; H957-L960 PolarHBondContact O-N 2.81Å; L960-L962 VanDerWaalsContact C-N 3.32Å; L960-L962 PolarHBondContact O-N 2.79Å; L960-L963 PolarHBondContact O-N 2.88Å; L960-G964 PolarHBondContact O-N 3.11Å; L960-F1000 HydrophobicContact CD1-CE1 4.47Å; L960-I1004 HydrophobicContact CD1-CD1 3.83Å; L960-I1004 HydrophobicContact CD1-CG1 4.03Å; L960-I1004 HydrophobicContact CD1-CG2 3.95Å; L960-L1016 HydrophobicContact CD1-CD2 4.03Å; L960-L1018 HydrophobicContact CB-CD2 4.5Å; L960-L1018 HydrophobicContact CD2-CD2 4.32Å
961S89.7Confident87.6Confident46 Ų4653.7 Ų53.732%0.32229%0.288SS..Hα-helixtrans-60.3-41.5174.2-63.20000111.9H957 G964 K965H957-S961 PolarHBondContact CE1-OG 2.89Å; H957-S961 PolarHBondContact ND1-OG 3.06Å; H957-S961 VanDerWaalsContact O-CB 3.25Å; H957-S961 WeakPolarHBondContact O-CB 3.34Å; H957-S961 PolarHBondContact O-N 3.27Å; H957-S961 PolarHBondContact O-OG 2.77Å; S961-G964 PolarHBondContact O-N 2.92Å; S961-K965 WeakPolarHBondContact O-CB 3.33Å; S961-K965 PolarHBondContact O-N 3.44Å
962L89.4Confident87.6Confident26 Ų2651.5 Ų51.514%0.13628%0.277CS..Hα-helixtrans-66.2-43.7175.6-17174.3000111.6S958 A959 L960 K965 H966 E983 L984S958-L962 PolarHBondContact O-N 2.77Å; S958-L962 VanDerWaalsContact O-N 3.12Å; A959-L962 PolarHBondContact O-N 3.34Å; L960-L962 VanDerWaalsContact C-N 3.32Å; L960-L962 PolarHBondContact O-N 2.79Å; L962-K965 WeakPolarHBondContact O-CB 3.37Å; L962-K965 PolarHBondContact O-N 3.08Å; L962-H966 PolarHBondContact O-CD2 2.94Å; L962-H966 PolarHBondContact O-N 3.49Å; L962-E983 HydrophobicContact CD2-CB 3.87Å; L962-L984 HydrophobicContact CB-CD2 4.17Å; L962-L984 HydrophobicContact CD2-CD2 3.41Å; L962-L984 VanDerWaalsContact CD2-CD2 3.41Å; L962-L984 HydrophobicContact CD2-CG 3.61Å; L962-L984 HydrophobicContact CG-CD2 4.42Å
963L90.2Very high87.6Confident0 Ų056 Ų560%030%0.301CS..Hα-helixtrans-61.3-45175.5-67.8176.6000111.5A959 L960 K965 H966 Y967 L974 I980 V1001 I1004 L1016A959-L963 WeakPolarHBondContact O-CG 3.31Å; A959-L963 PolarHBondContact O-N 2.84Å; L960-L963 PolarHBondContact O-N 2.88Å; L963-K965 VanDerWaalsContact C-N 3.31Å; L963-K965 PolarHBondContact O-N 3.28Å; L963-H966 PolarHBondContact O-N 2.84Å; L963-Y967 WeakPolarHBondContact O-CB 3.48Å; L963-Y967 PolarHBondContact O-N 2.99Å; L963-L974 HydrophobicContact CB-CD2 4.18Å; L963-L974 HydrophobicContact CD2-CD1 4.29Å; L963-L974 HydrophobicContact CD2-CD2 4.01Å; L963-L974 VanDerWaalsContact O-CD2 3.27Å; L963-L974 WeakPolarHBondContact O-CD2 3.4Å; L963-I980 HydrophobicContact CD2-CD1 3.85Å; L963-I980 HydrophobicContact CD2-CG1 4.39Å; L963-I980 HydrophobicContact CD2-CG2 4.02Å; L963-V1001 HydrophobicContact CD1-CG1 4.41Å; L963-V1001 HydrophobicContact CD1-CG2 4.22Å; L963-V1001 HydrophobicContact CD2-CG1 4.1Å; L963-I1004 HydrophobicContact CD1-CB 4.09Å; L963-I1004 HydrophobicContact CD1-CG2 3.7Å; L963-L1016 HydrophobicContact CB-CD2 3.87Å
964G88.5Confident87.8Confident13 Ų1356.6 Ų56.613%0.13430%0.304CS..Hα-helixtrans-60-39.7175.300000112.7L960 S961 K968L960-G964 PolarHBondContact O-N 3.11Å; S961-G964 PolarHBondContact O-N 2.92Å; G964-K968 WeakPolarHBondContact O-CB 3.49Å; G964-K968 WeakPolarHBondContact O-CG 3.25Å; G964-K968 PolarHBondContact O-N 3.45Å
965K89.6Confident87.9Confident150 Ų15052.5 Ų52.565%0.65228%0.277SS*.Hα-helixtrans-61.9-49.2174.6-177.8-179.1177.4-174.60111.7S961 L962 L963 K968 S969S961-K965 WeakPolarHBondContact O-CB 3.33Å; S961-K965 PolarHBondContact O-N 3.44Å; L962-K965 WeakPolarHBondContact O-CB 3.37Å; L962-K965 PolarHBondContact O-N 3.08Å; L963-K965 VanDerWaalsContact C-N 3.31Å; L963-K965 PolarHBondContact O-N 3.28Å; K965-K968 PolarHBondContact O-N 3.44Å; K965-S969 WeakPolarHBondContact O-CB 3.39Å; K965-S969 PolarHBondContact O-N 2.79Å; K965-S969 PolarHBondContact O-OG 2.81Å
966H89.4Confident88Confident20 Ų2057 Ų579%0.09330%0.302CS..Hα-helixtrans-63.2-41.3177.9-84.8-57.3000113.1L962 L963 K968 S969 N970 L974 P975 E983L962-H966 PolarHBondContact O-CD2 2.94Å; L962-H966 PolarHBondContact O-N 3.49Å; L963-H966 PolarHBondContact O-N 2.84Å; H966-K968 VanDerWaalsContact C-N 3.32Å; H966-K968 PolarHBondContact O-N 2.79Å; H966-S969 WeakPolarHBondContact CA-OG 3.26Å; H966-S969 PolarHBondContact O-N 3.27Å; H966-S969 PolarHBondContact O-OG 2.81Å; H966-S969 VanDerWaalsContact O-OG 3.07Å; H966-N970 WeakPolarHBondContact O-CB 3.35Å; H966-N970 PolarHBondContact O-N 3.37Å; H966-N970 VanDerWaalsContact O-N 3.08Å; H966-L974 HydrophobicContact CB-CD2 4.08Å; H966-P975 HydrophobicContact CB-CG 4.07Å; H966-P975 WeakPolarHBondContact ND1-CG 3.45Å; H966-E983 IonicContact CD2-OE2 3.47Å; H966-E983 IonicContact CE1-OE1 3.44Å; H966-E983 PolarHBondContact CE1-OE1 3.04Å; H966-E983 IonicContact CE1-OE2 3.58Å; H966-E983 PolarHBondContact CE1-OE2 3.27Å; H966-E983 IonicContact NE2-OE1 3.81Å; H966-E983 IonicContact NE2-OE2 3.62Å; H966-E983 PolarHBondContact NE2-OE2 3.12Å
967Y89.1Confident88.2Confident57 Ų5760 Ų6022%0.22432%0.318CS..Hα-helixtrans-62.3-42178.1-168.7-94.1000111.3L963 G972 L974 L1008 P1013 L1016L963-Y967 WeakPolarHBondContact O-CB 3.48Å; L963-Y967 PolarHBondContact O-N 2.99Å; Y967-G972 VanDerWaalsContact CE2-CA 3.47Å; Y967-G972 WeakPolarHBondContact CE2-O 3.39Å; Y967-G972 VanDerWaalsContact CZ-CA 3.45Å; Y967-G972 WeakPolarHBondContact O-CA 3.44Å; Y967-G972 PolarHBondContact O-N 2.98Å; Y967-L974 HydrophobicContact CD2-CD2 4.48Å; Y967-L974 HydrophobicContact CD2-CG 4.23Å; Y967-L1008 HydrophobicContact CD2-CD1 4.49Å; Y967-L1008 HydrophobicContact CD2-CD2 3.88Å; Y967-L1008 HydrophobicContact CE2-CD1 3.96Å; Y967-L1008 HydrophobicContact CE2-CD2 3.81Å; Y967-L1008 HydrophobicContact CE2-CG 4.29Å; Y967-P1013 HydrophobicContact CE1-CB 3.69Å; Y967-L1016 HydrophobicContact CD1-CD1 3.9Å; Y967-L1016 HydrophobicContact CD2-CD1 3.9Å; Y967-L1016 HydrophobicContact CG-CD1 3.51Å
968K87.6Confident88.2Confident182 Ų18264.6 Ų64.679%0.79134%0.337SS*.Hα-helixtrans-69.9-37.4175.7-72.9178.1-178.4178.40112.8G964 K965 H966G964-K968 WeakPolarHBondContact O-CB 3.49Å; G964-K968 WeakPolarHBondContact O-CG 3.25Å; G964-K968 PolarHBondContact O-N 3.45Å; K965-K968 PolarHBondContact O-N 3.44Å; H966-K968 VanDerWaalsContact C-N 3.32Å; H966-K968 PolarHBondContact O-N 2.79Å
969S87.9Confident88.3Confident71 Ų7166.6 Ų66.650%0.49735%0.348SS..Hα-helixtrans-74.7-25.2-177.565.20000113.9K965 H966K965-S969 WeakPolarHBondContact O-CB 3.39Å; K965-S969 PolarHBondContact O-N 2.79Å; K965-S969 PolarHBondContact O-OG 2.81Å; H966-S969 WeakPolarHBondContact CA-OG 3.26Å; H966-S969 PolarHBondContact O-N 3.27Å; H966-S969 PolarHBondContact O-OG 2.81Å; H966-S969 VanDerWaalsContact O-OG 3.07Å
970N84.9Confident88.4Confident71 Ų7166.6 Ų66.638%0.3835%0.348SS..THydrogen-bonded Turntrans-115.433.6-171-60.2-3.5000112.9H966 G972 I973H966-N970 WeakPolarHBondContact O-CB 3.35Å; H966-N970 PolarHBondContact O-N 3.37Å; H966-N970 VanDerWaalsContact O-N 3.08Å; N970-G972 VanDerWaalsContact C-N 3.26Å; N970-G972 PolarHBondContact O-N 2.97Å; N970-I973 VanDerWaalsContact CB-O 3.24Å; N970-I973 WeakPolarHBondContact CB-O 3.47Å; N970-I973 PolarHBondContact O-N 2.99Å
971N84.3Confident88.4Confident162 Ų16268 Ų6887%0.86636%0.36SS*.THydrogen-bonded Turntrans49.241.7-179.6-75.920000114.4
972G81.9Confident88.3Confident26 Ų2669.9 Ų69.927%0.26837%0.373SS..THydrogen-bonded Turntrans8718.6175.900000115.4Y967 N970Y967-G972 VanDerWaalsContact CE2-CA 3.47Å; Y967-G972 WeakPolarHBondContact CE2-O 3.39Å; Y967-G972 VanDerWaalsContact CZ-CA 3.45Å; Y967-G972 WeakPolarHBondContact O-CA 3.44Å; Y967-G972 PolarHBondContact O-N 2.98Å; N970-G972 VanDerWaalsContact C-N 3.26Å; N970-G972 PolarHBondContact O-N 2.97Å
973I85.9Confident88.3Confident119 Ų11972.2 Ų72.261%0.6138%0.383SS*.  trans-117.9119.3177.2-57.2176.7000110.4N970N970-I973 VanDerWaalsContact CB-O 3.24Å; N970-I973 WeakPolarHBondContact CB-O 3.47Å; N970-I973 PolarHBondContact O-N 2.99Å
974L89.1Confident88.3Confident24 Ų2472.2 Ų72.213%0.12638%0.383CS..PPolyproline II helixtrans-75.3139.1173.2-71.5174.4000111L963 H966 Y967 I980 K1005 L1008L963-L974 HydrophobicContact CB-CD2 4.18Å; L963-L974 HydrophobicContact CD2-CD1 4.29Å; L963-L974 HydrophobicContact CD2-CD2 4.01Å; L963-L974 VanDerWaalsContact O-CD2 3.27Å; L963-L974 WeakPolarHBondContact O-CD2 3.4Å; H966-L974 HydrophobicContact CB-CD2 4.08Å; Y967-L974 HydrophobicContact CD2-CD2 4.48Å; Y967-L974 HydrophobicContact CD2-CG 4.23Å; L974-I980 HydrophobicContact CB-CD1 4.45Å; L974-K1005 HydrophobicContact CD1-CD 4.46Å; L974-K1005 HydrophobicContact CD1-CG 3.72Å; L974-L1008 HydrophobicContact CD1-CD2 3.45Å; L974-L1008 VanDerWaalsContact CD1-CD2 3.45Å; L974-L1008 HydrophobicContact CG-CD2 4.05Å
975P89.1Confident88.2Confident23 Ų2373.7 Ų73.715%0.14940%0.399CS..PPolyproline II helixtrans-59.1168.4174.2-22.430000113.8H966 V979 I980 K1005H966-P975 HydrophobicContact CB-CG 4.07Å; H966-P975 WeakPolarHBondContact ND1-CG 3.45Å; P975-V979 HydrophobicContact CB-CB 3.95Å; P975-V979 HydrophobicContact CB-CG1 4.03Å; P975-I980 HydrophobicContact CB-CG1 4.25Å; P975-I980 VanDerWaalsContact O-CD1 3.23Å; P975-I980 WeakPolarHBondContact O-CD1 3.33Å; P975-K1005 PolarHBondContact O-NZ 3.16Å
976D90Very high88.1Confident103 Ų10370.3 Ų70.355%0.55140%0.399SS*.PPolyproline II helixtrans-57.8149.3173-172.6-95.7000111.7K978 V979 I980D976-K978 PolarHBondContact O-N 3.34Å; D976-K978 VanDerWaalsContact O-N 3.09Å; D976-K978 WeakPolarHBondContact OD1-CB 3.19Å; D976-K978 WeakPolarHBondContact OD1-CG 3.29Å; D976-K978 PolarHBondContact OD1-N 3.17Å; D976-V979 PolarHBondContact O-N 3.06Å; D976-I980 PolarHBondContact O-N 3.32Å; D976-I980 VanDerWaalsContact O-N 3.14Å
977N90.3Very high88Confident70 Ų7071.8 Ų71.837%0.37441%0.407SS..Hα-helixtrans-56.8-28.1-179.4-74-3.3000112.7A981 M998 K1005N977-A981 WeakPolarHBondContact O-CB 3.24Å; N977-A981 PolarHBondContact O-N 3.06Å; N977-M998 HydrophobicContact CB-CE 4.05Å; N977-K1005 WeakPolarHBondContact OD1-CE 3.3Å; N977-K1005 PolarHBondContact OD1-NZ 2.98Å
978K89.3Confident87.7Confident169 Ų16974.2 Ų74.274%0.73543%0.43SS*.Hα-helixtrans-64.8-43174.5-72-178.7178.6177.80112.6D976 S982D976-K978 PolarHBondContact O-N 3.34Å; D976-K978 VanDerWaalsContact O-N 3.09Å; D976-K978 WeakPolarHBondContact OD1-CB 3.19Å; D976-K978 WeakPolarHBondContact OD1-CG 3.29Å; D976-K978 PolarHBondContact OD1-N 3.17Å; K978-S982 WeakPolarHBondContact O-CB 3.32Å; K978-S982 PolarHBondContact O-N 3.48Å
979V89.8Confident87.5Confident66 Ų6670.7 Ų70.740%0.442%0.416SS..Hα-helixtrans-67.8-46.9179.7179.70000109.6P975 D976 A981 S982 E983P975-V979 HydrophobicContact CB-CB 3.95Å; P975-V979 HydrophobicContact CB-CG1 4.03Å; D976-V979 PolarHBondContact O-N 3.06Å; V979-A981 PolarHBondContact O-N 2.94Å; V979-S982 WeakPolarHBondContact O-CB 3.28Å; V979-S982 PolarHBondContact O-N 3.26Å; V979-E983 PolarHBondContact O-N 3.19Å
980I90.6Very high87.4Confident0 Ų067.3 Ų67.30%039%0.392CS..Hα-helixtrans-60.6-45177.3-63.6169.7000111L963 L974 P975 D976 S982 E983 L984 V1001L963-I980 HydrophobicContact CD2-CD1 3.85Å; L963-I980 HydrophobicContact CD2-CG1 4.39Å; L963-I980 HydrophobicContact CD2-CG2 4.02Å; L974-I980 HydrophobicContact CB-CD1 4.45Å; P975-I980 HydrophobicContact CB-CG1 4.25Å; P975-I980 VanDerWaalsContact O-CD1 3.23Å; P975-I980 WeakPolarHBondContact O-CD1 3.33Å; D976-I980 PolarHBondContact O-N 3.32Å; D976-I980 VanDerWaalsContact O-N 3.14Å; I980-S982 VanDerWaalsContact C-N 3.34Å; I980-S982 PolarHBondContact O-N 3.35Å; I980-E983 PolarHBondContact O-N 2.94Å; I980-L984 HydrophobicContact CG2-CD1 3.44Å; I980-L984 VanDerWaalsContact CG2-CD1 3.44Å; I980-L984 HydrophobicContact CG2-CG 4.19Å; I980-L984 WeakPolarHBondContact O-CB 3.45Å; I980-L984 VanDerWaalsContact O-CG 3.23Å; I980-L984 WeakPolarHBondContact O-CG 3.25Å; I980-L984 PolarHBondContact O-N 2.95Å; I980-V1001 HydrophobicContact CD1-CG1 4.34Å; I980-V1001 HydrophobicContact CG2-CG1 3.94Å; I980-V1001 HydrophobicContact CG2-CG2 4.1Å
981A89.1Confident87.4Confident30 Ų3072.3 Ų72.325%0.24841%0.411CS..Hα-helixtrans-63.6-38.5177.700000112.6N977 V979 G985 M998N977-A981 WeakPolarHBondContact O-CB 3.24Å; N977-A981 PolarHBondContact O-N 3.06Å; V979-A981 PolarHBondContact O-N 2.94Å; A981-G985 PolarHBondContact O-N 2.97Å; A981-M998 HydrophobicContact CB-CE 4.01Å; A981-M998 HydrophobicContact CB-CG 4.31Å; A981-M998 HydrophobicContact CB-SD 3.65Å
982S89.5Confident87.4Confident86 Ų8672.4 Ų72.460%0.60140%0.404SS*.Hα-helixtrans-64-47.1177.7-173.10000111.6K978 V979 I980 G985 A986K978-S982 WeakPolarHBondContact O-CB 3.32Å; K978-S982 PolarHBondContact O-N 3.48Å; V979-S982 WeakPolarHBondContact O-CB 3.28Å; V979-S982 PolarHBondContact O-N 3.26Å; I980-S982 VanDerWaalsContact C-N 3.34Å; I980-S982 PolarHBondContact O-N 3.35Å; S982-G985 PolarHBondContact O-N 2.79Å; S982-A986 PolarHBondContact O-N 3.21Å; S982-A986 VanDerWaalsContact O-N 3.15Å
983E89.4Confident87.5Confident74 Ų7473.2 Ų73.235%0.34640%0.399SS..Hα-helixtrans-71.6-40.3-179.3-70.6-176-160.600112.5L962 H966 V979 I980 G985 A986L962-E983 HydrophobicContact CD2-CB 3.87Å; H966-E983 IonicContact CD2-OE2 3.47Å; H966-E983 IonicContact CE1-OE1 3.44Å; H966-E983 PolarHBondContact CE1-OE1 3.04Å; H966-E983 IonicContact CE1-OE2 3.58Å; H966-E983 PolarHBondContact CE1-OE2 3.27Å; H966-E983 IonicContact NE2-OE1 3.81Å; H966-E983 IonicContact NE2-OE2 3.62Å; H966-E983 PolarHBondContact NE2-OE2 3.12Å; V979-E983 PolarHBondContact O-N 3.19Å; I980-E983 PolarHBondContact O-N 2.94Å; E983-G985 VanDerWaalsContact C-N 3.3Å; E983-G985 PolarHBondContact O-N 3.2Å; E983-A986 WeakPolarHBondContact O-CB 3.4Å; E983-A986 PolarHBondContact O-N 3.41Å
984L89.4Confident87.5Confident0 Ų070.3 Ų70.30%038%0.383CS..Hα-helixtrans-66.2-34.3173.9-67.7170.4000111.8A959 L962 I980 A986 L987 L990 V997 M998 V1001A959-L984 HydrophobicContact CB-CD2 4.01Å; L962-L984 HydrophobicContact CB-CD2 4.17Å; L962-L984 HydrophobicContact CD2-CD2 3.41Å; L962-L984 VanDerWaalsContact CD2-CD2 3.41Å; L962-L984 HydrophobicContact CD2-CG 3.61Å; L962-L984 HydrophobicContact CG-CD2 4.42Å; I980-L984 HydrophobicContact CG2-CD1 3.44Å; I980-L984 VanDerWaalsContact CG2-CD1 3.44Å; I980-L984 HydrophobicContact CG2-CG 4.19Å; I980-L984 WeakPolarHBondContact O-CB 3.45Å; I980-L984 VanDerWaalsContact O-CG 3.23Å; I980-L984 WeakPolarHBondContact O-CG 3.25Å; I980-L984 PolarHBondContact O-N 2.95Å; L984-A986 VanDerWaalsContact C-N 3.26Å; L984-A986 PolarHBondContact O-N 3.33Å; L984-L987 HydrophobicContact CD2-CD1 4.25Å; L984-L987 PolarHBondContact O-N 3.01Å; L984-L990 HydrophobicContact CB-CD1 3.98Å; L984-L990 HydrophobicContact CD2-CD1 3.53Å; L984-L990 HydrophobicContact CG-CD1 4.34Å; L984-V997 HydrophobicContact CB-CG1 4.03Å; L984-V997 HydrophobicContact CD1-CG1 3.46Å; L984-V997 VanDerWaalsContact CD1-CG1 3.46Å; L984-V997 HydrophobicContact CG-CG1 4.2Å; L984-M998 HydrophobicContact CD1-SD 4.48Å; L984-V1001 HydrophobicContact CD1-CG2 3.64Å
985G86Confident87.4Confident45 Ų4578.6 Ų78.646%0.46442%0.418SS..Hα-helixtrans-69.2-22.5174.900000114A981 S982 E983 L987A981-G985 PolarHBondContact O-N 2.97Å; S982-G985 PolarHBondContact O-N 2.79Å; E983-G985 VanDerWaalsContact C-N 3.3Å; E983-G985 PolarHBondContact O-N 3.2Å; G985-L987 VanDerWaalsContact C-N 3.34Å
986A87.8Confident87.2Confident79 Ų7981.5 Ų81.565%0.65343%0.426SS*.Hα-helixtrans-79.6-15.1175.100000113.2S982 E983 L984 P988S982-A986 PolarHBondContact O-N 3.21Å; S982-A986 VanDerWaalsContact O-N 3.15Å; E983-A986 WeakPolarHBondContact O-CB 3.4Å; E983-A986 PolarHBondContact O-N 3.41Å; L984-A986 VanDerWaalsContact C-N 3.26Å; L984-A986 PolarHBondContact O-N 3.33Å; A986-P988 WeakPolarHBondContact O-CD 3.31Å
987L86.6Confident87.2Confident51 Ų5176.6 Ų76.627%0.26740%0.4SS..  trans-80.9116.9178.5-67.2174.3000111.2L984 G985 E989 L990L984-L987 HydrophobicContact CD2-CD1 4.25Å; L984-L987 PolarHBondContact O-N 3.01Å; G985-L987 VanDerWaalsContact C-N 3.34Å; L987-E989 VanDerWaalsContact C-N 3.29Å; L987-E989 HydrophobicContact CB-CG 4.37Å; L987-E989 PolarHBondContact O-N 2.86Å; L987-L990 HydrophobicContact CB-CB 4.42Å; L987-L990 HydrophobicContact CB-CD1 4.06Å; L987-L990 HydrophobicContact CB-CG 4.05Å; L987-L990 HydrophobicContact CD1-CD1 3.78Å; L987-L990 HydrophobicContact CD1-CG 4.45Å; L987-L990 PolarHBondContact O-N 3.42Å; L987-L990 VanDerWaalsContact O-N 3.11Å
988P83.4Confident87.2Confident107 Ų10775.5 Ų75.570%0.69539%0.393SS*.G310 helixtrans-59.5-36.2-175.6-24.834.6000113.9A986 L990 K991A986-P988 WeakPolarHBondContact O-CD 3.31Å; P988-L990 PolarHBondContact O-N 3.35Å; P988-K991 WeakPolarHBondContact O-CB 3.4Å; P988-K991 PolarHBondContact O-N 3.49Å
989E83.7Confident87.2Confident108 Ų10871.3 Ų71.351%0.50538%0.383SS..G310 helixtrans-64-22178.561.8-129.9-140.400114.4S958 L987S958-E989 WeakPolarHBondContact CB-OE1 3.48Å; S958-E989 PolarHBondContact OG-OE1 3.03Å; L987-E989 VanDerWaalsContact C-N 3.29Å; L987-E989 HydrophobicContact CB-CG 4.37Å; L987-E989 PolarHBondContact O-N 2.86Å
990L86.3Confident87.2Confident0 Ų068.8 Ų68.80%037%0.367CS..G310 helixtrans-93.4-8.9-177.6-60.9-173.9000113.3W955 L984 L987 P988 K992 Y993 M994 V997W955-L990 VanDerWaalsContact CA-CD2 3.47Å; W955-L990 HydrophobicContact CB-CD2 3.58Å; W955-L990 VanDerWaalsContact O-CD2 3.27Å; W955-L990 WeakPolarHBondContact O-CD2 3.33Å; L984-L990 HydrophobicContact CB-CD1 3.98Å; L984-L990 HydrophobicContact CD2-CD1 3.53Å; L984-L990 HydrophobicContact CG-CD1 4.34Å; L987-L990 HydrophobicContact CB-CB 4.42Å; L987-L990 HydrophobicContact CB-CD1 4.06Å; L987-L990 HydrophobicContact CB-CG 4.05Å; L987-L990 HydrophobicContact CD1-CD1 3.78Å; L987-L990 HydrophobicContact CD1-CG 4.45Å; L987-L990 PolarHBondContact O-N 3.42Å; L987-L990 VanDerWaalsContact O-N 3.11Å; P988-L990 PolarHBondContact O-N 3.35Å; L990-K992 VanDerWaalsContact C-N 3.27Å; L990-K992 PolarHBondContact O-N 2.83Å; L990-K992 VanDerWaalsContact O-N 3.17Å; L990-Y993 CarbonylContact O-C 3.56Å; L990-Y993 WeakPolarHBondContact O-CA 3.5Å; L990-Y993 PolarHBondContact O-N 2.73Å; L990-M994 HydrophobicContact CB-SD 4.19Å; L990-M994 WeakPolarHBondContact O-CG 3.37Å; L990-M994 PolarHBondContact O-N 3.03Å; L990-V997 HydrophobicContact CB-CG2 4.42Å; L990-V997 HydrophobicContact CD2-CG2 4.39Å
991K83.2Confident87.1Confident177 Ų17768.8 Ų68.877%0.7737%0.367SS*.THydrogen-bonded Turntrans-55.8-38.4-173.7-165.6177.2-177.3177.60113.3P988 Y993P988-K991 WeakPolarHBondContact O-CB 3.4Å; P988-K991 PolarHBondContact O-N 3.49Å; K991-Y993 VanDerWaalsContact C-N 3.3Å; K991-Y993 PolarHBondContact O-N 3.25Å
992K84.3Confident87.1Confident164 Ų16469.7 Ų69.771%0.71337%0.374SS*.THydrogen-bonded Turntrans-71.3-23.8176.4-170.3-176173.9-157.80112.8L990 E1058L990-K992 VanDerWaalsContact C-N 3.27Å; L990-K992 PolarHBondContact O-N 2.83Å; L990-K992 VanDerWaalsContact O-N 3.17Å; K992-E1058 IonicContact NZ-OE1 3.66Å
993Y85.6Confident87Confident43 Ų4367.9 Ų67.917%0.16936%0.357CS..THydrogen-bonded Turntrans-109.9-1.3-170.2-58.1-73.6000114.2W955 L990 K991 K995 R996 V997 E1058W955-Y993 HydrophobicContact CB-CD2 3.59Å; W955-Y993 HydrophobicContact CB-CE2 4.21Å; W955-Y993 HydrophobicContact CB-CG 3.8Å; W955-Y993 AromaticContact CD1-CD1 3.82Å; W955-Y993 AromaticContact CD1-CE1 3.97Å; W955-Y993 AromaticContact CD1-CG 3.94Å; W955-Y993 HydrophobicContact CD2-CD1 4.36Å; W955-Y993 HydrophobicContact CD2-CG 4.18Å; W955-Y993 HydrophobicContact CG-CD1 4.01Å; W955-Y993 AromaticContact CG-CD2 3.95Å; W955-Y993 HydrophobicContact CG-CD2 3.95Å; W955-Y993 HydrophobicContact CG-CE2 4.48Å; W955-Y993 AromaticContact CG-CG 3.7Å; W955-Y993 HydrophobicContact CG-CG 3.7Å; L990-Y993 CarbonylContact O-C 3.56Å; L990-Y993 WeakPolarHBondContact O-CA 3.5Å; L990-Y993 PolarHBondContact O-N 2.73Å; K991-Y993 VanDerWaalsContact C-N 3.3Å; K991-Y993 PolarHBondContact O-N 3.25Å; Y993-K995 PolarHBondContact O-N 3.29Å; Y993-R996 WeakPolarHBondContact O-CA 3.36Å; Y993-R996 WeakPolarHBondContact O-CB 3.28Å; Y993-R996 PolarHBondContact O-N 3.42Å; Y993-V997 WeakPolarHBondContact O-CG2 3.47Å; Y993-V997 PolarHBondContact O-N 3.08Å; Y993-V997 VanDerWaalsContact O-N 3.07Å; Y993-E1058 HydrophobicContact CE1-CG 4.13Å; Y993-E1058 WeakPolarHBondContact CE1-OE1 3.49Å; Y993-E1058 PolarHBondContact OH-OE1 3.39Å
994M84.9Confident86.9Confident57 Ų5764.5 Ų64.528%0.28134%0.341SS..Hα-helixtrans-52.4-31.6-172.9-78.9-55-67.300115.2L990 R996 V997L990-M994 HydrophobicContact CB-SD 4.19Å; L990-M994 WeakPolarHBondContact O-CG 3.37Å; L990-M994 PolarHBondContact O-N 3.03Å; M994-R996 VanDerWaalsContact C-N 3.25Å; M994-R996 PolarHBondContact O-N 2.85Å; M994-V997 HydrophobicContact SD-CB 4.45Å; M994-V997 HydrophobicContact SD-CG2 4.42Å
995K86.4Confident86.9Confident198 Ų19866.5 Ų66.586%0.86135%0.35SS*.Hα-helixtrans-65.2-26.1174.3-68.9-173.2178.1-178.60113.6Y993 P999Y993-K995 PolarHBondContact O-N 3.29Å; K995-P999 WeakPolarHBondContact O-CD 3.31Å
996R86.3Confident86.9Confident84 Ų8469.1 Ų69.132%0.31735%0.35SS..Hα-helixtrans-97.8-24.7-179.7-60.8178.463.8169.53.7113.1W955 Y993 M994 P999 F1000 D1059W955-R996 HydrophobicContact CH2-CB 3.84Å; W955-R996 HydrophobicContact CZ2-CB 4.27Å; W955-R996 HydrophobicContact CZ3-CB 4.22Å; Y993-R996 WeakPolarHBondContact O-CA 3.36Å; Y993-R996 WeakPolarHBondContact O-CB 3.28Å; Y993-R996 PolarHBondContact O-N 3.42Å; M994-R996 VanDerWaalsContact C-N 3.25Å; M994-R996 PolarHBondContact O-N 2.85Å; R996-P999 WeakPolarHBondContact O-CD 3.49Å; R996-F1000 PolarHBondContact O-N 3.5Å; R996-D1059 IonicContact CZ-OD1 3.53Å; R996-D1059 IonicContact NH1-OD1 3.54Å; R996-D1059 PolarHBondContact NH1-OD1 3.47Å; R996-D1059 IonicContact NH2-OD1 3.8Å; R996-D1059 PolarHBondContact NH2-OD1 3.4Å
997V88.9Confident86.6Confident0 Ų067.3 Ų67.30%033%0.33CS..Hα-helixtrans-62-50.2-176.4170.60000112.2W955 L984 L990 Y993 M994 F1000 V1001W955-V997 HydrophobicContact CE3-CG2 3.84Å; W955-V997 HydrophobicContact CZ3-CG2 4.16Å; L984-V997 HydrophobicContact CB-CG1 4.03Å; L984-V997 HydrophobicContact CD1-CG1 3.46Å; L984-V997 VanDerWaalsContact CD1-CG1 3.46Å; L984-V997 HydrophobicContact CG-CG1 4.2Å; L990-V997 HydrophobicContact CB-CG2 4.42Å; L990-V997 HydrophobicContact CD2-CG2 4.39Å; Y993-V997 WeakPolarHBondContact O-CG2 3.47Å; Y993-V997 PolarHBondContact O-N 3.08Å; Y993-V997 VanDerWaalsContact O-N 3.07Å; M994-V997 HydrophobicContact SD-CB 4.45Å; M994-V997 HydrophobicContact SD-CG2 4.42Å; V997-F1000 WeakPolarHBondContact O-CB 3.23Å; V997-F1000 PolarHBondContact O-N 2.86Å; V997-V1001 HydrophobicContact CG1-CG2 4.45Å; V997-V1001 WeakPolarHBondContact O-CG2 3.39Å; V997-V1001 PolarHBondContact O-N 3.32Å
998M89.8Confident86.6Confident47 Ų4765.9 Ų65.923%0.23232%0.322CS..Hα-helixtrans-68.6-39.5-177.9-67.8-50.9-6200114.4N977 A981 L984 F1000 V1001 A1002N977-M998 HydrophobicContact CB-CE 4.05Å; A981-M998 HydrophobicContact CB-CE 4.01Å; A981-M998 HydrophobicContact CB-CG 4.31Å; A981-M998 HydrophobicContact CB-SD 3.65Å; L984-M998 HydrophobicContact CD1-SD 4.48Å; M998-F1000 VanDerWaalsContact C-N 3.28Å; M998-F1000 PolarHBondContact O-N 2.88Å; M998-V1001 HydrophobicContact CE-CB 4.46Å; M998-V1001 HydrophobicContact CE-CG1 4.35Å; M998-V1001 PolarHBondContact O-N 2.8Å; M998-V1001 HydrophobicContact SD-CG2 4.42Å; M998-A1002 PolarHBondContact O-N 3.42Å
999P90.8Very high86.6Confident82 Ų8269.1 Ų69.153%0.53233%0.328SS..Hα-helixtrans-56.1-40.3168-28.535.1000113.4K995 R996 A1002 M1003K995-P999 WeakPolarHBondContact O-CD 3.31Å; R996-P999 WeakPolarHBondContact O-CD 3.49Å; P999-A1002 PolarHBondContact O-N 3.31Å; P999-M1003 PolarHBondContact O-N 2.64Å
1000F88.6Confident86.3Confident13 Ų1370.4 Ų70.46%0.05733%0.332CS..Hα-helixtrans-64.6-46175.4177.7-101000111.7Y952 W955 Q956 A959 L960 R996 V997 M998 A1002 M1003 I1004Y952-F1000 HydrophobicContact CD1-CZ 4.48Å; Y952-F1000 HydrophobicContact CE1-CZ 4.38Å; W955-F1000 HydrophobicContact CH2-CB 4.14Å; W955-F1000 HydrophobicContact CH2-CG 4.43Å; W955-F1000 HydrophobicContact CZ3-CB 3.97Å; W955-F1000 HydrophobicContact CZ3-CG 4.22Å; Q956-F1000 HydrophobicContact CB-CE1 4.15Å; Q956-F1000 HydrophobicContact CB-CE2 4.28Å; Q956-F1000 HydrophobicContact CB-CZ 3.91Å; Q956-F1000 HydrophobicContact CG-CD2 4.22Å; Q956-F1000 HydrophobicContact CG-CE1 4.41Å; Q956-F1000 HydrophobicContact CG-CE2 4.04Å; Q956-F1000 HydrophobicContact CG-CG 4.48Å; Q956-F1000 HydrophobicContact CG-CZ 4.14Å; A959-F1000 HydrophobicContact CB-CD1 4.26Å; A959-F1000 HydrophobicContact CB-CE1 4.32Å; L960-F1000 HydrophobicContact CD1-CE1 4.47Å; R996-F1000 PolarHBondContact O-N 3.5Å; V997-F1000 WeakPolarHBondContact O-CB 3.23Å; V997-F1000 PolarHBondContact O-N 2.86Å; M998-F1000 VanDerWaalsContact C-N 3.28Å; M998-F1000 PolarHBondContact O-N 2.88Å; F1000-A1002 VanDerWaalsContact C-N 3.31Å; F1000-A1002 PolarHBondContact O-N 3.47Å; F1000-M1003 HydrophobicContact CD2-CE 3.64Å; F1000-M1003 HydrophobicContact CE2-CE 3.79Å; F1000-M1003 WeakPolarHBondContact O-CB 3.32Å; F1000-M1003 PolarHBondContact O-N 2.83Å; F1000-I1004 HydrophobicContact CD1-CG1 4.18Å; F1000-I1004 HydrophobicContact CD2-CG1 4.49Å; F1000-I1004 HydrophobicContact CE1-CD1 4.38Å; F1000-I1004 HydrophobicContact CE1-CG1 3.81Å; F1000-I1004 HydrophobicContact CE2-CD1 4.16Å; F1000-I1004 HydrophobicContact CE2-CG1 4.15Å; F1000-I1004 HydrophobicContact CZ-CD1 3.87Å; F1000-I1004 HydrophobicContact CZ-CG1 3.79Å; F1000-I1004 WeakPolarHBondContact O-CG1 3.38Å; F1000-I1004 PolarHBondContact O-N 3.46Å
1001V89.9Confident85.9Confident0 Ų074.1 Ų74.10%035%0.352CS..Hα-helixtrans-57.9-43.4175170.30000111.6L963 I980 L984 V997 M998 I1004 K1005L963-V1001 HydrophobicContact CD1-CG1 4.41Å; L963-V1001 HydrophobicContact CD1-CG2 4.22Å; L963-V1001 HydrophobicContact CD2-CG1 4.1Å; I980-V1001 HydrophobicContact CD1-CG1 4.34Å; I980-V1001 HydrophobicContact CG2-CG1 3.94Å; I980-V1001 HydrophobicContact CG2-CG2 4.1Å; L984-V1001 HydrophobicContact CD1-CG2 3.64Å; V997-V1001 HydrophobicContact CG1-CG2 4.45Å; V997-V1001 WeakPolarHBondContact O-CG2 3.39Å; V997-V1001 PolarHBondContact O-N 3.32Å; M998-V1001 HydrophobicContact CE-CB 4.46Å; M998-V1001 HydrophobicContact CE-CG1 4.35Å; M998-V1001 PolarHBondContact O-N 2.8Å; M998-V1001 HydrophobicContact SD-CG2 4.42Å; V1001-I1004 PolarHBondContact O-N 3.21Å; V1001-K1005 PolarHBondContact O-N 3.1Å
1002A88.9Confident85.9Confident48 Ų4866.7 Ų66.740%0.39733%0.325SS..Hα-helixtrans-62.3-44.7178.100000111.6M998 P999 F1000 I1004 K1005 E1006M998-A1002 PolarHBondContact O-N 3.42Å; P999-A1002 PolarHBondContact O-N 3.31Å; F1000-A1002 VanDerWaalsContact C-N 3.31Å; F1000-A1002 PolarHBondContact O-N 3.47Å; A1002-I1004 PolarHBondContact O-N 2.93Å; A1002-K1005 PolarHBondContact O-N 2.93Å; A1002-E1006 PolarHBondContact O-N 3.48Å
1003M87Confident85.8Confident48 Ų4862.4 Ų62.424%0.23631%0.314CS..Hα-helixtrans-61.2-42.3174.8-178.1-167.773.200112P999 F1000 E1006 N1007 K1064P999-M1003 PolarHBondContact O-N 2.64Å; F1000-M1003 HydrophobicContact CD2-CE 3.64Å; F1000-M1003 HydrophobicContact CE2-CE 3.79Å; F1000-M1003 WeakPolarHBondContact O-CB 3.32Å; F1000-M1003 PolarHBondContact O-N 2.83Å; M1003-E1006 PolarHBondContact O-N 2.84Å; M1003-N1007 WeakPolarHBondContact O-CB 3.44Å; M1003-N1007 PolarHBondContact O-N 3.32Å; M1003-K1064 PolarHBondContact SD-NZ 2.87Å
1004I87.8Confident85.4Confident3 Ų364.3 Ų64.32%0.01532%0.321CS..Hα-helixtrans-65.2-41176.8-67.4-65.1000111L960 L963 F1000 V1001 A1002 N1007 L1008 V1015 L1016L960-I1004 HydrophobicContact CD1-CD1 3.83Å; L960-I1004 HydrophobicContact CD1-CG1 4.03Å; L960-I1004 HydrophobicContact CD1-CG2 3.95Å; L963-I1004 HydrophobicContact CD1-CB 4.09Å; L963-I1004 HydrophobicContact CD1-CG2 3.7Å; F1000-I1004 HydrophobicContact CD1-CG1 4.18Å; F1000-I1004 HydrophobicContact CD2-CG1 4.49Å; F1000-I1004 HydrophobicContact CE1-CD1 4.38Å; F1000-I1004 HydrophobicContact CE1-CG1 3.81Å; F1000-I1004 HydrophobicContact CE2-CD1 4.16Å; F1000-I1004 HydrophobicContact CE2-CG1 4.15Å; F1000-I1004 HydrophobicContact CZ-CD1 3.87Å; F1000-I1004 HydrophobicContact CZ-CG1 3.79Å; F1000-I1004 WeakPolarHBondContact O-CG1 3.38Å; F1000-I1004 PolarHBondContact O-N 3.46Å; V1001-I1004 PolarHBondContact O-N 3.21Å; A1002-I1004 PolarHBondContact O-N 2.93Å; I1004-N1007 PolarHBondContact O-N 2.86Å; I1004-L1008 WeakPolarHBondContact O-CB 3.35Å; I1004-L1008 PolarHBondContact O-N 3.4Å; I1004-V1015 HydrophobicContact CD1-CG1 3.73Å; I1004-V1015 HydrophobicContact CG2-CG1 4.14Å; I1004-L1016 HydrophobicContact CG2-CD2 3.69Å
1005K88.1Confident85.2Confident43 Ų4362.8 Ų62.819%0.18732%0.315CS..Hα-helixtrans-60.4-46.9174-80.1-172.3168.2-169.50112L974 P975 N977 V1001 A1002 N1007 L1008 E1009L974-K1005 HydrophobicContact CD1-CD 4.46Å; L974-K1005 HydrophobicContact CD1-CG 3.72Å; P975-K1005 PolarHBondContact O-NZ 3.16Å; N977-K1005 WeakPolarHBondContact OD1-CE 3.3Å; N977-K1005 PolarHBondContact OD1-NZ 2.98Å; V1001-K1005 PolarHBondContact O-N 3.1Å; A1002-K1005 PolarHBondContact O-N 2.93Å; K1005-N1007 VanDerWaalsContact C-N 3.33Å; K1005-N1007 PolarHBondContact O-N 3.03Å; K1005-L1008 WeakPolarHBondContact O-CB 3.27Å; K1005-L1008 PolarHBondContact O-N 2.67Å; K1005-E1009 PolarHBondContact O-N 2.89Å
1006E86.4Confident85Confident99 Ų9954.1 Ų54.146%0.46328%0.278SS..Hα-helixtrans-60.8-43.8177.5-172-174.8167.500111.4A1002 M1003 E1009 K1010A1002-E1006 PolarHBondContact O-N 3.48Å; M1003-E1006 PolarHBondContact O-N 2.84Å; E1006-E1009 PolarHBondContact O-N 3.48Å; E1006-K1010 WeakPolarHBondContact O-CG 3.45Å; E1006-K1010 PolarHBondContact O-N 2.86Å; E1006-K1010 IonicContact OE1-NZ 2.85Å; E1006-K1010 PolarHBondContact OE1-NZ 3.47Å
1007N82.2Confident84.8Confident42 Ų4253.8 Ų53.823%0.22528%0.282CS..Hα-helixtrans-70.6-33.9177.7-75.6-10.8000112.4M1003 I1004 K1005 E1009 K1010 N1011 V1015M1003-N1007 WeakPolarHBondContact O-CB 3.44Å; M1003-N1007 PolarHBondContact O-N 3.32Å; I1004-N1007 PolarHBondContact O-N 2.86Å; K1005-N1007 VanDerWaalsContact C-N 3.33Å; K1005-N1007 PolarHBondContact O-N 3.03Å; N1007-E1009 VanDerWaalsContact C-N 3.33Å; N1007-K1010 PolarHBondContact O-N 2.88Å; N1007-N1011 WeakPolarHBondContact O-CA 3.27Å; N1007-N1011 WeakPolarHBondContact O-CB 3.29Å; N1007-N1011 PolarHBondContact O-N 2.95Å; N1007-V1015 HydrophobicContact CB-CB 4.46Å; N1007-V1015 HydrophobicContact CB-CG1 3.68Å; N1007-V1015 HydrophobicContact CB-CG2 3.99Å
1008L86.1Confident84.5Confident21 Ų2157 Ų5711%0.1130%0.299CS..Hα-helixtrans-63.2-39.5175.6175.964.5000111.1Y967 L974 I1004 K1005 G1012 P1013 L1016Y967-L1008 HydrophobicContact CD2-CD1 4.49Å; Y967-L1008 HydrophobicContact CD2-CD2 3.88Å; Y967-L1008 HydrophobicContact CE2-CD1 3.96Å; Y967-L1008 HydrophobicContact CE2-CD2 3.81Å; Y967-L1008 HydrophobicContact CE2-CG 4.29Å; L974-L1008 HydrophobicContact CD1-CD2 3.45Å; L974-L1008 VanDerWaalsContact CD1-CD2 3.45Å; L974-L1008 HydrophobicContact CG-CD2 4.05Å; I1004-L1008 WeakPolarHBondContact O-CB 3.35Å; I1004-L1008 PolarHBondContact O-N 3.4Å; K1005-L1008 WeakPolarHBondContact O-CB 3.27Å; K1005-L1008 PolarHBondContact O-N 2.67Å; L1008-G1012 WeakPolarHBondContact CD1-O 3.48Å; L1008-G1012 WeakPolarHBondContact O-CA 3.29Å; L1008-G1012 PolarHBondContact O-N 2.76Å; L1008-P1013 VanDerWaalsContact CD1-CA 3.46Å; L1008-P1013 HydrophobicContact CD1-CB 4.45Å; L1008-L1016 HydrophobicContact CD1-CD1 4.13Å; L1008-L1016 HydrophobicContact CD1-CG 4.3Å; L1008-L1016 HydrophobicContact CD2-CD1 4.38Å
1009E83.4Confident84Confident174 Ų17461.7 Ų61.781%0.81332%0.321SS*.Hα-helixtrans-67.6-38.6174.1-72-175.9175.900112.5K1005 E1006 N1007K1005-E1009 PolarHBondContact O-N 2.89Å; E1006-E1009 PolarHBondContact O-N 3.48Å; N1007-E1009 VanDerWaalsContact C-N 3.33Å
1010K77.9Confident83.6Confident136 Ų13661 Ų6159%0.59131%0.312SS*.Hα-helixtrans-79-44.7-178.5-69.9178.3-171.4170.90113.8E1006 N1007E1006-K1010 WeakPolarHBondContact O-CG 3.45Å; E1006-K1010 PolarHBondContact O-N 2.86Å; E1006-K1010 IonicContact OE1-NZ 2.85Å; E1006-K1010 PolarHBondContact OE1-NZ 3.47Å; N1007-K1010 PolarHBondContact O-N 2.88Å
1011N76.6Confident83.3Confident78 Ų7864.7 Ų64.742%0.41733%0.329SS..Hα-helixtrans-111-7.5-168.2-64.3-28.5000112.8N1007 R1014 V1015N1007-N1011 WeakPolarHBondContact O-CA 3.27Å; N1007-N1011 WeakPolarHBondContact O-CB 3.29Å; N1007-N1011 PolarHBondContact O-N 2.95Å; N1011-R1014 VanDerWaalsContact O-CZ 3.24Å; N1011-R1014 PolarHBondContact O-NE 3.4Å; N1011-R1014 PolarHBondContact O-NH2 3.23Å; N1011-V1015 HydrophobicContact CB-CG2 3.87Å
1012G83.1Confident83.1Confident21 Ų2166.5 Ų66.522%0.21634%0.337CS..  trans83.4-172178.900000114.2L1008 R1014 V1015L1008-G1012 WeakPolarHBondContact CD1-O 3.48Å; L1008-G1012 WeakPolarHBondContact O-CA 3.29Å; L1008-G1012 PolarHBondContact O-N 2.76Å; G1012-R1014 VanDerWaalsContact C-N 3.25Å; G1012-R1014 PolarHBondContact O-N 2.65Å; G1012-R1014 VanDerWaalsContact O-N 3.12Å; G1012-V1015 PolarHBondContact O-N 2.98Å
1013P84.1Confident83.1Confident73 Ų7368.9 Ų68.947%0.47434%0.343SS..G310 helixtrans-63.2-22.3-165.323.3-34000115.8Y967 L1008 V1015 L1016Y967-P1013 HydrophobicContact CE1-CB 3.69Å; L1008-P1013 VanDerWaalsContact CD1-CA 3.46Å; L1008-P1013 HydrophobicContact CD1-CB 4.45Å; P1013-V1015 PolarHBondContact O-N 3.29Å; P1013-V1015 VanDerWaalsContact O-N 3.07Å; P1013-L1016 VanDerWaalsContact O-CB 3.31Å; P1013-L1016 WeakPolarHBondContact O-CB 3.41Å; P1013-L1016 PolarHBondContact O-N 2.84Å
1014R75.4Confident83.2Confident84 Ų8467.1 Ų67.132%0.31733%0.334SS..G310 helixtrans-57.9-19.6178.761.4-176.8153.4148.5-2115.1R905 N1011 G1012 L1016 D1017R905-R1014 VanDerWaalsContact NH1-CD 3.29Å; N1011-R1014 VanDerWaalsContact O-CZ 3.24Å; N1011-R1014 PolarHBondContact O-NE 3.4Å; N1011-R1014 PolarHBondContact O-NH2 3.23Å; G1012-R1014 VanDerWaalsContact C-N 3.25Å; G1012-R1014 PolarHBondContact O-N 2.65Å; G1012-R1014 VanDerWaalsContact O-N 3.12Å; R1014-L1016 PolarHBondContact O-N 2.88Å; R1014-L1016 VanDerWaalsContact O-N 3.15Å; R1014-D1017 WeakPolarHBondContact CA-OD2 3.21Å; R1014-D1017 WeakPolarHBondContact O-CB 3.21Å; R1014-D1017 PolarHBondContact O-N 3.25Å
1015V80.8Confident83.3Confident24 Ų2471.5 Ų71.515%0.14535%0.351CS..G310 helixtrans-64.2-17.4174.1-179.20000111.7I1004 N1007 N1011 G1012 P1013I1004-V1015 HydrophobicContact CD1-CG1 3.73Å; I1004-V1015 HydrophobicContact CG2-CG1 4.14Å; N1007-V1015 HydrophobicContact CB-CB 4.46Å; N1007-V1015 HydrophobicContact CB-CG1 3.68Å; N1007-V1015 HydrophobicContact CB-CG2 3.99Å; N1011-V1015 HydrophobicContact CB-CG2 3.87Å; G1012-V1015 PolarHBondContact O-N 2.98Å; P1013-V1015 PolarHBondContact O-N 3.29Å; P1013-V1015 VanDerWaalsContact O-N 3.07Å
1016L83Confident83.4Confident17 Ų1771.2 Ų71.29%0.08936%0.356CS..G310 helixtrans-89.6-1.5176.7-56.4174000113.1L960 L963 Y967 I1004 L1008 P1013 R1014L960-L1016 HydrophobicContact CD1-CD2 4.03Å; L963-L1016 HydrophobicContact CB-CD2 3.87Å; Y967-L1016 HydrophobicContact CD1-CD1 3.9Å; Y967-L1016 HydrophobicContact CD2-CD1 3.9Å; Y967-L1016 HydrophobicContact CG-CD1 3.51Å; I1004-L1016 HydrophobicContact CG2-CD2 3.69Å; L1008-L1016 HydrophobicContact CD1-CD1 4.13Å; L1008-L1016 HydrophobicContact CD1-CG 4.3Å; L1008-L1016 HydrophobicContact CD2-CD1 4.38Å; P1013-L1016 VanDerWaalsContact O-CB 3.31Å; P1013-L1016 WeakPolarHBondContact O-CB 3.41Å; P1013-L1016 PolarHBondContact O-N 2.84Å; R1014-L1016 PolarHBondContact O-N 2.88Å; R1014-L1016 VanDerWaalsContact O-N 3.15Å
1017D82.3Confident83.7Confident77 Ų7766.9 Ų66.941%0.41234%0.337SS..  trans-71.1139.6177.1-64.3-28.8000110.3R1014 E1019R1014-D1017 WeakPolarHBondContact CA-OD2 3.21Å; R1014-D1017 WeakPolarHBondContact O-CB 3.21Å; R1014-D1017 PolarHBondContact O-N 3.25Å; D1017-E1019 VanDerWaalsContact C-N 3.27Å; D1017-E1019 PolarHBondContact O-N 2.93Å
1018L81.8Confident84.2Confident68 Ų6864.9 Ų64.936%0.35633%0.326SS..SBendtrans-77.2-18-175.2-62.8173.1000112.7Y952 L960Y952-L1018 WeakPolarHBondContact CD2-O 3.48Å; L960-L1018 HydrophobicContact CB-CD2 4.5Å; L960-L1018 HydrophobicContact CD2-CD2 4.32Å
1019E80.5Confident84.4Confident145 Ų14568.2 Ų68.268%0.67834%0.342SS*.SBendtrans-135.3150.7179.5-64.4-177.9172.800109D1017D1017-E1019 VanDerWaalsContact C-N 3.27Å; D1017-E1019 PolarHBondContact O-N 2.93Å
1020L81.1Confident84.7Confident66 Ų6665 Ų6535%0.34633%0.327SS..  trans-78.4151.2175.4-68.2173.8000111F1022 E1024 P1062L1020-F1022 PolarHBondContact O-N 3.46Å; L1020-E1024 HydrophobicContact CD1-CG 3.47Å; L1020-E1024 VanDerWaalsContact CD1-CG 3.47Å; L1020-E1024 WeakPolarHBondContact CD1-OE1 3.12Å; L1020-P1062 HydrophobicContact CD1-CB 3.89Å; L1020-P1062 HydrophobicContact CG-CB 4.04Å
1021E83.4Confident85.4Confident92 Ų9258.7 Ų58.743%0.4330%0.3SS..SBendtrans-69.8-9.9179.9-61.2170162.600113.5V902 R905V902-E1021 HydrophobicContact CG1-CB 4.09Å; V902-E1021 WeakPolarHBondContact CG1-O 2.98Å; V902-E1021 HydrophobicContact CG2-CB 4.14Å; R905-E1021 IonicContact CZ-OE2 3.53Å; R905-E1021 IonicContact NE-OE2 3.92Å; R905-E1021 VanDerWaalsContact NH1-CD 3.27Å; R905-E1021 IonicContact NH1-OE1 3.25Å; R905-E1021 PolarHBondContact NH1-OE1 3.39Å; R905-E1021 IonicContact NH1-OE2 2.77Å; R905-E1021 PolarHBondContact NH1-OE2 3.26Å
1022F85.9Confident86Confident37 Ų3756.7 Ų56.716%0.16229%0.289CS..SBendtrans-137.5154.7-177.758.2-94.8000112.1V902 R905 Y909 L1020 E1024 V1027V902-F1022 HydrophobicContact CG1-CB 3.83Å; V902-F1022 HydrophobicContact CG1-CD1 4.24Å; R905-F1022 HydrophobicContact CB-CE1 4.18Å; Y909-F1022 AromaticContact CD1-CE2 3.77Å; Y909-F1022 HydrophobicContact CD1-CE2 3.77Å; Y909-F1022 HydrophobicContact CD1-CZ 4.3Å; Y909-F1022 HydrophobicContact CE1-CE2 4.41Å; Y909-F1022 AromaticContact CG-CE2 3.9Å; Y909-F1022 HydrophobicContact CG-CE2 3.9Å; Y909-F1022 AromaticContact CG-CZ 3.96Å; Y909-F1022 HydrophobicContact CG-CZ 3.96Å; L1020-F1022 PolarHBondContact O-N 3.46Å; F1022-E1024 HydrophobicContact CE2-CG 4.13Å; F1022-E1024 PolarHBondContact O-N 2.77Å; F1022-V1027 HydrophobicContact CD2-CG2 3.99Å
1023D88.7Confident86.2Confident98 Ų9860 Ų6052%0.52431%0.305SS..  trans-77.9102.7176.2-174.7-26.9000110.6R1025 A1026 V1027D1023-R1025 VanDerWaalsContact C-N 3.26Å; D1023-R1025 PolarHBondContact O-N 2.89Å; D1023-R1025 WeakPolarHBondContact OD1-CB 3.12Å; D1023-R1025 PolarHBondContact OD1-N 3.21Å; D1023-A1026 HydrophobicContact CB-CB 3.82Å; D1023-A1026 PolarHBondContact O-N 2.89Å; D1023-A1026 PolarHBondContact OD1-N 3.13Å; D1023-V1027 VanDerWaalsContact O-CG2 3.3Å; D1023-V1027 WeakPolarHBondContact O-CG2 3.28Å; D1023-V1027 PolarHBondContact O-N 3.49Å
1024E88.9Confident86.5Confident11 Ų1156.8 Ų56.85%0.05128%0.283CS..Hα-helixtrans-55.5-39.6179.2-67.2-167120.700113.4Y909 V948 L1020 F1022 L1028 G1063Y909-E1024 HydrophobicContact CE1-CB 4.17Å; Y909-E1024 HydrophobicContact CE1-CG 4.3Å; Y909-E1024 VanDerWaalsContact CE2-OE1 3.23Å; Y909-E1024 WeakPolarHBondContact CE2-OE1 3.46Å; Y909-E1024 PolarHBondContact OH-OE1 2.82Å; V948-E1024 HydrophobicContact CG1-CB 3.52Å; V948-E1024 HydrophobicContact CG1-CG 4.31Å; V948-E1024 WeakPolarHBondContact CG1-OE2 3.43Å; L1020-E1024 HydrophobicContact CD1-CG 3.47Å; L1020-E1024 VanDerWaalsContact CD1-CG 3.47Å; L1020-E1024 WeakPolarHBondContact CD1-OE1 3.12Å; F1022-E1024 HydrophobicContact CE2-CG 4.13Å; F1022-E1024 PolarHBondContact O-N 2.77Å; E1024-L1028 WeakPolarHBondContact O-CG 3.39Å; E1024-L1028 PolarHBondContact O-N 2.91Å; E1024-L1028 VanDerWaalsContact O-N 3.14Å; E1024-G1063 WeakPolarHBondContact OE1-CA 3.38Å; E1024-G1063 PolarHBondContact OE1-N 2.89Å
1025R90.5Very high87.3Confident95 Ų9552.8 Ų52.836%0.35827%0.268SS..Hα-helixtrans-70.3-44.3-177.6-178.5179.2-178.3-147.12.8109.4D1023 V1027 L1028 M1029 V1046 F1048D1023-R1025 VanDerWaalsContact C-N 3.26Å; D1023-R1025 PolarHBondContact O-N 2.89Å; D1023-R1025 WeakPolarHBondContact OD1-CB 3.12Å; D1023-R1025 PolarHBondContact OD1-N 3.21Å; R1025-V1027 VanDerWaalsContact C-N 3.34Å; R1025-V1027 PolarHBondContact O-N 3.08Å; R1025-L1028 PolarHBondContact O-N 3.1Å; R1025-M1029 HydrophobicContact CG-CG 4.17Å; R1025-M1029 WeakPolarHBondContact O-CB 3.35Å; R1025-M1029 WeakPolarHBondContact O-CG 3.38Å; R1025-M1029 PolarHBondContact O-N 2.76Å; R1025-V1046 HydrophobicContact CG-CG1 4Å; R1025-F1048 HydrophobicContact CB-CE1 4.25Å; R1025-F1048 HydrophobicContact CB-CZ 4.4Å; R1025-F1048 VanDerWaalsContact CD-CZ 3.41Å
1026A89.6Confident87.6Confident37 Ų3752.5 Ų52.531%0.30627%0.266SS..Hα-helixtrans-57.9-47.4176.600000111.3D1023 L1028 M1029 E1030D1023-A1026 HydrophobicContact CB-CB 3.82Å; D1023-A1026 PolarHBondContact O-N 2.89Å; D1023-A1026 PolarHBondContact OD1-N 3.13Å; A1026-L1028 PolarHBondContact O-N 3.25Å; A1026-M1029 PolarHBondContact O-N 2.65Å; A1026-M1029 VanDerWaalsContact O-N 3.17Å; A1026-E1030 WeakPolarHBondContact O-CG 3.32Å; A1026-E1030 PolarHBondContact O-N 3.13Å
1027V92.3Very high87.8Confident8 Ų856 Ų565%0.04829%0.285CS..Hα-helixtrans-58.9-43.6179.51730000112.4F800 Y909 L910 F1022 D1023 R1025 N1031F800-V1027 HydrophobicContact CE2-CG2 4.29Å; F800-V1027 HydrophobicContact CZ-CG1 4.04Å; F800-V1027 HydrophobicContact CZ-CG2 4.37Å; Y909-V1027 HydrophobicContact CD1-CG1 4.22Å; L910-V1027 HydrophobicContact CB-CG1 4.25Å; F1022-V1027 HydrophobicContact CD2-CG2 3.99Å; D1023-V1027 VanDerWaalsContact O-CG2 3.3Å; D1023-V1027 WeakPolarHBondContact O-CG2 3.28Å; D1023-V1027 PolarHBondContact O-N 3.49Å; R1025-V1027 VanDerWaalsContact C-N 3.34Å; R1025-V1027 PolarHBondContact O-N 3.08Å; V1027-N1031 PolarHBondContact O-N 2.9Å; V1027-N1031 PolarHBondContact O-ND2 3Å
1028L92.2Very high88Confident0 Ų054.5 Ų54.50%028%0.281CS..Hα-helixtrans-69.3-39.5177.2-68.7177000112.2Y909 L910 T913 I946 V948 E1024 R1025 A1026 N1031 L1032 L1035 V1046Y909-L1028 HydrophobicContact CE1-CD1 4.5Å; Y909-L1028 HydrophobicContact CE1-CD2 4.14Å; Y909-L1028 HydrophobicContact CE1-CG 4.08Å; L910-L1028 HydrophobicContact CD1-CD2 4.19Å; T913-L1028 HydrophobicContact CG2-CD2 3.94Å; I946-L1028 HydrophobicContact CG2-CD1 4Å; V948-L1028 HydrophobicContact CG2-CD1 3.85Å; E1024-L1028 WeakPolarHBondContact O-CG 3.39Å; E1024-L1028 PolarHBondContact O-N 2.91Å; E1024-L1028 VanDerWaalsContact O-N 3.14Å; R1025-L1028 PolarHBondContact O-N 3.1Å; A1026-L1028 PolarHBondContact O-N 3.25Å; L1028-N1031 CarbonylContact O-C 3.57Å; L1028-N1031 PolarHBondContact O-N 3.22Å; L1028-L1032 PolarHBondContact O-N 2.98Å; L1028-L1035 HydrophobicContact CD2-CD1 4.11Å; L1028-V1046 HydrophobicContact CB-CG1 4.41Å; L1028-V1046 HydrophobicContact CB-CG2 4.39Å; L1028-V1046 HydrophobicContact CD1-CG1 4.21Å
1029M91Very high88.3Confident91 Ų9151.6 Ų51.645%0.44827%0.265SS..Hα-helixtrans-65.4-41.2179.3-74-64.4-63.700111.8R1025 A1026 N1031 L1032 V1046R1025-M1029 HydrophobicContact CG-CG 4.17Å; R1025-M1029 WeakPolarHBondContact O-CB 3.35Å; R1025-M1029 WeakPolarHBondContact O-CG 3.38Å; R1025-M1029 PolarHBondContact O-N 2.76Å; A1026-M1029 PolarHBondContact O-N 2.65Å; A1026-M1029 VanDerWaalsContact O-N 3.17Å; M1029-N1031 PolarHBondContact O-N 3.45Å; M1029-L1032 WeakPolarHBondContact O-CB 2.99Å; M1029-L1032 PolarHBondContact O-N 2.91Å; M1029-L1032 HydrophobicContact SD-CD2 4.33Å; M1029-V1046 HydrophobicContact SD-CB 3.89Å; M1029-V1046 HydrophobicContact SD-CG2 3.97Å
1030E89.7Confident88.5Confident106 Ų10650.3 Ų50.350%0.49526%0.259SS..Hα-helixtrans-63.5-25.4177.2-73.1-177.8-169.600113F800 A1026F800-E1030 WeakPolarHBondContact CB-OE2 3.25Å; F800-E1030 VanDerWaalsContact CD2-OE2 3.31Å; F800-E1030 WeakPolarHBondContact CD2-OE2 3.38Å; F800-E1030 WeakPolarHBondContact CG-OE2 3.48Å; A1026-E1030 WeakPolarHBondContact O-CG 3.32Å; A1026-E1030 PolarHBondContact O-N 3.13Å
1031N91.8Very high88.7Confident4 Ų447.2 Ų47.22%0.02124%0.243CC..THydrogen-bonded Turntrans-113.115.5-178.3-63.8-81.7000113.3N801 L910 V1027 L1028 M1029 V1033 Y1034 L1035N801-N1031 PolarHBondContact ND2-OD1 3.36Å; N801-N1031 PolarHBondContact OD1-OD1 3.41Å; L910-N1031 HydrophobicContact CD1-CB 3.77Å; L910-N1031 HydrophobicContact CD2-CB 3.7Å; L910-N1031 HydrophobicContact CG-CB 4.39Å; V1027-N1031 PolarHBondContact O-N 2.9Å; V1027-N1031 PolarHBondContact O-ND2 3Å; L1028-N1031 CarbonylContact O-C 3.57Å; L1028-N1031 PolarHBondContact O-N 3.22Å; M1029-N1031 PolarHBondContact O-N 3.45Å; N1031-V1033 VanDerWaalsContact C-N 3.29Å; N1031-V1033 PolarHBondContact O-N 3.27Å; N1031-Y1034 WeakPolarHBondContact O-CB 3.38Å; N1031-Y1034 PolarHBondContact O-N 2.65Å; N1031-L1035 PolarHBondContact O-N 2.96Å
1032L90.6Very high88.5Confident37 Ų3745.6 Ų45.619%0.19424%0.236CC..Hα-helixtrans-61.9-36.6-174.2-166.370.8000112.6L1028 M1029 L1035 T1036 I1044 V1046L1028-L1032 PolarHBondContact O-N 2.98Å; M1029-L1032 WeakPolarHBondContact O-CB 2.99Å; M1029-L1032 PolarHBondContact O-N 2.91Å; M1029-L1032 HydrophobicContact SD-CD2 4.33Å; L1032-L1035 PolarHBondContact O-N 3.11Å; L1032-T1036 WeakPolarHBondContact O-CB 3.37Å; L1032-T1036 PolarHBondContact O-N 3.01Å; L1032-T1036 PolarHBondContact O-OG1 2.55Å; L1032-I1044 HydrophobicContact CD1-CB 3.72Å; L1032-I1044 HydrophobicContact CD1-CG2 3.7Å; L1032-I1044 HydrophobicContact CG-CB 4.47Å; L1032-V1046 HydrophobicContact CD1-CG2 3.75Å
1033V87.8Confident88.3Confident89 Ų8948.2 Ų48.254%0.53925%0.248SC..Hα-helixtrans-63.2-45.6178.4-179.40000110.5I848 N1031 T1036 N1037I848-V1033 HydrophobicContact CG2-CG1 4.14Å; N1031-V1033 VanDerWaalsContact C-N 3.29Å; N1031-V1033 PolarHBondContact O-N 3.27Å; V1033-T1036 PolarHBondContact O-N 3.28Å; V1033-N1037 WeakPolarHBondContact O-CB 3.34Å; V1033-N1037 PolarHBondContact O-N 2.76Å; V1033-N1037 PolarHBondContact O-ND2 3.3Å
1034Y90.2Very high88.4Confident6 Ų643.8 Ų43.82%0.02423%0.225CC..Hα-helixtrans-61-49.4175.3158.7-105.4000111.3E845 L846 I848 A914 R918 N1031 T1036 N1037 S1038E845-Y1034 HydrophobicContact CG-CE2 3.82Å; E845-Y1034 PolarHBondContact OE1-OH 2.85Å; L846-Y1034 HydrophobicContact CD2-CD1 3.42Å; L846-Y1034 VanDerWaalsContact CD2-CD1 3.42Å; L846-Y1034 HydrophobicContact CD2-CD2 4.03Å; L846-Y1034 HydrophobicContact CD2-CE1 3.27Å; L846-Y1034 HydrophobicContact CD2-CE2 3.94Å; L846-Y1034 HydrophobicContact CD2-CG 3.78Å; I848-Y1034 HydrophobicContact CD1-CD2 4.43Å; A914-Y1034 HydrophobicContact CB-CE1 4.4Å; R918-Y1034 PolarHBondContact NH2-OH 3.36Å; N1031-Y1034 WeakPolarHBondContact O-CB 3.38Å; N1031-Y1034 PolarHBondContact O-N 2.65Å; Y1034-T1036 VanDerWaalsContact C-N 3.32Å; Y1034-T1036 PolarHBondContact O-N 3.06Å; Y1034-N1037 PolarHBondContact O-N 2.89Å; Y1034-S1038 VanDerWaalsContact O-CB 3.26Å; Y1034-S1038 WeakPolarHBondContact O-CB 3.42Å; Y1034-S1038 PolarHBondContact O-N 3.29Å
1035L90.6Very high88.4Confident1 Ų145 Ų451%0.00523%0.232CC..Hα-helixtrans-59.2-43.6179.8-68.8173.6000111.7L910 A914 L1028 N1031 L1032 L1039 I1044L910-L1035 HydrophobicContact CD1-CD1 4.21Å; L910-L1035 HydrophobicContact CD1-CD2 4.4Å; L910-L1035 HydrophobicContact CD1-CG 4.45Å; A914-L1035 HydrophobicContact CB-CD2 3.67Å; L1028-L1035 HydrophobicContact CD2-CD1 4.11Å; N1031-L1035 PolarHBondContact O-N 2.96Å; L1032-L1035 PolarHBondContact O-N 3.11Å; L1035-L1039 VanDerWaalsContact O-CB 3.31Å; L1035-L1039 WeakPolarHBondContact O-CB 3.34Å; L1035-L1039 WeakPolarHBondContact O-CG 3.39Å; L1035-L1039 PolarHBondContact O-N 3.49Å; L1035-I1044 HydrophobicContact CB-CD1 3.83Å
1036T88.7Confident88.4Confident17 Ų1740.9 Ų40.910%0.10422%0.217CC..Hα-helixtrans-64.4-44.8179.5-55.60000111.5L1032 V1033 Y1034 E1040 L1041L1032-T1036 WeakPolarHBondContact O-CB 3.37Å; L1032-T1036 PolarHBondContact O-N 3.01Å; L1032-T1036 PolarHBondContact O-OG1 2.55Å; V1033-T1036 PolarHBondContact O-N 3.28Å; Y1034-T1036 VanDerWaalsContact C-N 3.32Å; Y1034-T1036 PolarHBondContact O-N 3.06Å; T1036-E1040 PolarHBondContact O-N 3.33Å; T1036-L1041 HydrophobicContact CG2-CB 4.47Å; T1036-L1041 WeakPolarHBondContact CG2-O 3.45Å; T1036-L1041 PolarHBondContact O-N 3Å
1037N86.5Confident88.4Confident91 Ų9141.6 Ų41.649%0.48722%0.216SC..Hα-helixtrans-67.2-44.5178.6-71.4-14.6000111.8V1033 Y1034 E1040V1033-N1037 WeakPolarHBondContact O-CB 3.34Å; V1033-N1037 PolarHBondContact O-N 2.76Å; V1033-N1037 PolarHBondContact O-ND2 3.3Å; Y1034-N1037 PolarHBondContact O-N 2.89Å; N1037-E1040 PolarHBondContact O-N 3.47Å
1038S86.6Confident88.2Confident46 Ų4642.9 Ų42.932%0.32222%0.221SC..Hα-helixtrans-69.3-35.9-177-173.60000113.1R918 Y1034R918-S1038 PolarHBondContact NE-OG 2.81Å; R918-S1038 PolarHBondContact NH2-OG 3.39Å; Y1034-S1038 VanDerWaalsContact O-CB 3.26Å; Y1034-S1038 WeakPolarHBondContact O-CB 3.42Å; Y1034-S1038 PolarHBondContact O-N 3.29Å
1039L87.3Confident88Confident6 Ų643.3 Ų43.33%0.03122%0.224CC..THydrogen-bonded Turntrans-82.6-2.9175.2-66.2167.8000112.8L917 R918 L921 L1035 L1041 I1044L917-L1039 HydrophobicContact CB-CD1 3.87Å; L917-L1039 HydrophobicContact CB-CD2 4.14Å; L917-L1039 HydrophobicContact CD1-CD1 4.02Å; R918-L1039 HydrophobicContact CB-CD2 4.28Å; R918-L1039 HydrophobicContact CG-CD2 3.56Å; L921-L1039 HydrophobicContact CD2-CB 4.34Å; L921-L1039 HydrophobicContact CD2-CD2 4.04Å; L1035-L1039 VanDerWaalsContact O-CB 3.31Å; L1035-L1039 WeakPolarHBondContact O-CB 3.34Å; L1035-L1039 WeakPolarHBondContact O-CG 3.39Å; L1035-L1039 PolarHBondContact O-N 3.49Å; L1039-L1041 HydrophobicContact CB-CD1 3.88Å; L1039-L1041 HydrophobicContact CB-CG 3.8Å; L1039-L1041 HydrophobicContact CD1-CD1 4.12Å; L1039-L1041 PolarHBondContact O-N 3.21Å; L1039-I1044 HydrophobicContact CD1-CD1 4.02Å
1040E85.6Confident87.5Confident118 Ų11842.6 Ų42.655%0.55123%0.228SC*.THydrogen-bonded Turntrans53.534.7-175.2-55.3-178168.900113.4K940 T1036 N1037K940-E1040 IonicContact NZ-OE2 2.82Å; K940-E1040 PolarHBondContact NZ-OE2 3.22Å; T1036-E1040 PolarHBondContact O-N 3.33Å; N1037-E1040 PolarHBondContact O-N 3.47Å
1041L85.4Confident87.2Confident1 Ų143.3 Ų43.31%0.00523%0.231CC..  trans-89.5168176.9-62.8175.6000110.6P941 C944 T1036 L1039 I1044 F1069 K1110P941-L1041 HydrophobicContact CG-CD2 4.33Å; P941-L1041 WeakPolarHBondContact O-CD2 3.33Å; C944-L1041 HydrophobicContact CB-CD1 3.53Å; T1036-L1041 HydrophobicContact CG2-CB 4.47Å; T1036-L1041 WeakPolarHBondContact CG2-O 3.45Å; T1036-L1041 PolarHBondContact O-N 3Å; L1039-L1041 HydrophobicContact CB-CD1 3.88Å; L1039-L1041 HydrophobicContact CB-CG 3.8Å; L1039-L1041 HydrophobicContact CD1-CD1 4.12Å; L1039-L1041 PolarHBondContact O-N 3.21Å; L1041-I1044 HydrophobicContact CD1-CD1 4.08Å; L1041-I1044 HydrophobicContact CD1-CG1 3.91Å; L1041-F1069 HydrophobicContact CD1-CD1 4.49Å; L1041-F1069 HydrophobicContact CD1-CE1 4.11Å; L1041-K1110 PolarHBondContact O-NZ 3.23Å
1042E79Confident86.7Confident58 Ų5843.7 Ų43.727%0.27124%0.235SC..SBendtrans-89.8-40.9174.1-70.5175.7-154.100112S942 R1096 R1107S942-E1042 WeakPolarHBondContact O-CB 3.37Å; S942-E1042 PolarHBondContact O-N 3.21Å; E1042-R1096 IonicContact OE1-CZ 3.81Å; E1042-R1096 IonicContact OE1-NH1 3.03Å; E1042-R1096 IonicContact OE1-NH2 2.67Å; E1042-R1096 PolarHBondContact OE1-NH2 3.35Å; E1042-R1096 IonicContact OE2-CZ 3.86Å; E1042-R1096 VanDerWaalsContact OE2-CZ 3.29Å; E1042-R1096 IonicContact OE2-NH1 2.71Å; E1042-R1096 PolarHBondContact OE2-NH1 2.87Å; E1042-R1096 IonicContact OE2-NH2 3.11Å; E1042-R1096 PolarHBondContact OE2-NH2 2.84Å; E1042-R1107 WeakPolarHBondContact OE1-CD 3.35Å; E1042-R1107 IonicContact OE2-NE 3.78Å
1043Q81.9Confident86.4Confident92 Ų9246.1 Ų46.143%0.4325%0.248SC..EExtended strand (participates in β ladder)trans-151.5145.2179.9171.2173.1-11.600111.2H943 C944 D1045H943-Q1043 WeakPolarHBondContact CA-O 3.36Å; C944-Q1043 PolarHBondContact N-O 3.17Å; C944-Q1043 VanDerWaalsContact N-O 3.15Å; Q1043-D1045 PolarHBondContact NE2-OD1 2.77Å
1044I89.8Confident86Confident6 Ų648.1 Ų48.13%0.03126%0.256CS..EExtended strand (participates in β ladder)trans-122.6123.8172.7-59.7-179.2000108C944 I946 L1032 L1035 L1039 L1041 V1046C944-I1044 HydrophobicContact CB-CG1 4.29Å; C944-I1044 CarbonylContact O-C 3.53Å; C944-I1044 VanDerWaalsContact O-CA 3.24Å; C944-I1044 WeakPolarHBondContact O-CA 3.45Å; I946-I1044 HydrophobicContact CD1-CG2 3.55Å; I946-I1044 HydrophobicContact CG1-CG2 3.87Å; L1032-I1044 HydrophobicContact CD1-CB 3.72Å; L1032-I1044 HydrophobicContact CD1-CG2 3.7Å; L1032-I1044 HydrophobicContact CG-CB 4.47Å; L1035-I1044 HydrophobicContact CB-CD1 3.83Å; L1039-I1044 HydrophobicContact CD1-CD1 4.02Å; L1041-I1044 HydrophobicContact CD1-CD1 4.08Å; L1041-I1044 HydrophobicContact CD1-CG1 3.91Å; I1044-V1046 HydrophobicContact CG2-CG2 4.49Å
1045D88.9Confident85.5Confident36 Ų3654.4 Ų54.419%0.19328%0.283CS..EExtended strand (participates in β ladder)trans-99.3127.2176-61.2-40.7000109.3C944 T945 I946 Q1043 R1070C944-D1045 PolarHBondContact O-N 3.39Å; T945-D1045 CarbonylContact C-O 3.52Å; T945-D1045 WeakPolarHBondContact CA-O 3.39Å; T945-D1045 HydrophobicContact CG2-CB 4.2Å; I946-D1045 PolarHBondContact N-O 2.81Å; Q1043-D1045 PolarHBondContact NE2-OD1 2.77Å; D1045-R1070 IonicContact OD2-CZ 2.91Å; D1045-R1070 IonicContact OD2-NH1 3.72Å; D1045-R1070 IonicContact OD2-NH2 2.85Å; D1045-R1070 PolarHBondContact OD2-NH2 3.34Å
1046V90.9Very high85.2Confident8 Ų854.6 Ų54.65%0.04828%0.284CS..EExtended strand (participates in β ladder)trans-109.1105.5176.1-1710000109.9I946 V948 R1025 L1028 M1029 L1032 I1044I946-V1046 WeakPolarHBondContact O-CA 3.45Å; V948-V1046 HydrophobicContact CG2-CG1 3.98Å; R1025-V1046 HydrophobicContact CG-CG1 4Å; L1028-V1046 HydrophobicContact CB-CG1 4.41Å; L1028-V1046 HydrophobicContact CB-CG2 4.39Å; L1028-V1046 HydrophobicContact CD1-CG1 4.21Å; M1029-V1046 HydrophobicContact SD-CB 3.89Å; M1029-V1046 HydrophobicContact SD-CG2 3.97Å; L1032-V1046 HydrophobicContact CD1-CG2 3.75Å; I1044-V1046 HydrophobicContact CG2-CG2 4.49Å
1047L90.3Very high84.8Confident53 Ų5358.2 Ų58.228%0.27730%0.299SS..EExtended strand (participates in β ladder)trans-112.8158.3-176.6-58.5-179.3000111.3T945 I946 Y947 V948T945-L1047 HydrophobicContact CG2-CD1 3.77Å; T945-L1047 HydrophobicContact CG2-CG 4.1Å; I946-L1047 PolarHBondContact O-N 3.44Å; Y947-L1047 WeakPolarHBondContact CA-O 3.22Å; Y947-L1047 HydrophobicContact CD1-CB 3.93Å; Y947-L1047 HydrophobicContact CE1-CB 3.97Å; Y947-L1047 HydrophobicContact CE1-CD1 3.99Å; V948-L1047 PolarHBondContact N-O 3.38Å
1048F88.3Confident84.4Confident35 Ų3556.9 Ų56.915%0.15429%0.289CS..EExtended strand (participates in β ladder)trans-77.3142.1168.2-71.5-63.1000110V948 K950 R1025 S1050 E1051V948-F1048 CarbonylContact O-C 3.56Å; V948-F1048 WeakPolarHBondContact O-CA 3.48Å; K950-F1048 HydrophobicContact CD-CD1 4.2Å; K950-F1048 HydrophobicContact CD-CE1 4.18Å; K950-F1048 VanDerWaalsContact CE-CD1 3.49Å; K950-F1048 VanDerWaalsContact CE-CE2 3.47Å; K950-F1048 HydrophobicContact CG-CD1 3.66Å; K950-F1048 HydrophobicContact CG-CE1 3.72Å; K950-F1048 HydrophobicContact CG-CG 4.42Å; R1025-F1048 HydrophobicContact CB-CE1 4.25Å; R1025-F1048 HydrophobicContact CB-CZ 4.4Å; R1025-F1048 VanDerWaalsContact CD-CZ 3.41Å; F1048-S1050 WeakPolarHBondContact CB-OG 3.3Å; F1048-S1050 PolarHBondContact O-N 3.47Å; F1048-E1051 PolarHBondContact O-N 3.2Å
1049A86.4Confident84.1Confident8 Ų857.1 Ų57.17%0.06629%0.287CS..G310 helixtrans-56.1-23.6-179.900000112.9V948 A949 E1051 A1052 K1057 C1060V948-A1049 PolarHBondContact O-N 3.18Å; A949-A1049 HydrophobicContact CB-CB 4.27Å; A1049-E1051 PolarHBondContact O-N 2.94Å; A1049-E1051 VanDerWaalsContact O-N 3.14Å; A1049-A1052 VanDerWaalsContact O-CB 3.25Å; A1049-A1052 WeakPolarHBondContact O-CB 3.25Å; A1049-A1052 PolarHBondContact O-N 3.22Å; A1049-K1057 WeakPolarHBondContact O-CG 3.43Å; A1049-C1060 HydrophobicContact CB-CB 4.08Å
1050S82.4Confident83.9Confident77 Ų7756.9 Ų56.954%0.53829%0.286SS..G310 helixtrans-56.1-25.817349.60000114.4F1048 K1057F1048-S1050 WeakPolarHBondContact CB-OG 3.3Å; F1048-S1050 PolarHBondContact O-N 3.47Å; S1050-K1057 WeakPolarHBondContact O-CE 3.14Å; S1050-K1057 PolarHBondContact O-NZ 3.31Å
1051E81.4Confident83.9Confident120 Ų12051.9 Ų51.956%0.56126%0.264SS*.G310 helixtrans-92.6-2.4179.9-63.1171.8-153.400112.9F1048 A1049F1048-E1051 PolarHBondContact O-N 3.2Å; A1049-E1051 PolarHBondContact O-N 2.94Å; A1049-E1051 VanDerWaalsContact O-N 3.14Å
1052A83.1Confident83.9Confident12 Ų1252.2 Ų52.210%0.09927%0.266CS..SBendtrans-84.9-177.1-178.700000113Y947 A1049 V1056 K1057Y947-A1052 HydrophobicContact CD1-CB 3.6Å; Y947-A1052 HydrophobicContact CD2-CB 4.39Å; Y947-A1052 HydrophobicContact CE1-CB 3.52Å; Y947-A1052 HydrophobicContact CE2-CB 4.32Å; Y947-A1052 HydrophobicContact CG-CB 4.03Å; A1049-A1052 VanDerWaalsContact O-CB 3.25Å; A1049-A1052 WeakPolarHBondContact O-CB 3.25Å; A1049-A1052 PolarHBondContact O-N 3.22Å; A1052-V1056 HydrophobicContact CB-CB 3.57Å; A1052-V1056 HydrophobicContact CB-CG1 3.46Å; A1052-V1056 VanDerWaalsContact CB-CG1 3.46Å; A1052-V1056 HydrophobicContact CB-CG2 4.47Å; A1052-K1057 WeakPolarHBondContact O-CE 3.07Å; A1052-K1057 PolarHBondContact O-NZ 3.27Å
1053D82.4Confident84Confident89 Ų8950.7 Ų50.748%0.47627%0.266SS..  trans-74.6160.8168.262.2-37.7000111.9K1055 V1056 K1057D1053-K1055 PolarHBondContact O-N 3.45Å; D1053-K1055 VanDerWaalsContact O-N 3.07Å; D1053-V1056 PolarHBondContact O-N 3.46Å; D1053-V1056 WeakPolarHBondContact OD1-CB 3.49Å; D1053-V1056 WeakPolarHBondContact OD1-CG2 3.29Å; D1053-K1057 PolarHBondContact O-N 2.93Å
1054D79.8Confident84.2Confident131 Ų13151.6 Ų51.670%0.70127%0.269SS*.Hα-helixtrans-56-32.2-174.2-69-26.1000113K1057 E1058D1054-K1057 PolarHBondContact O-N 3.17Å; D1054-E1058 WeakPolarHBondContact O-CB 3.45Å; D1054-E1058 PolarHBondContact O-N 3.06Å
1055K81Confident84.1Confident138 Ų13851.9 Ų51.960%0.627%0.271SS*.Hα-helixtrans-65.9-45.1177.2-172.2178179-177.80112D1053 E1058 D1059D1053-K1055 PolarHBondContact O-N 3.45Å; D1053-K1055 VanDerWaalsContact O-N 3.07Å; K1055-E1058 PolarHBondContact O-N 3.43Å; K1055-D1059 WeakPolarHBondContact O-CB 3.36Å; K1055-D1059 PolarHBondContact O-N 2.57Å; K1055-D1059 VanDerWaalsContact O-N 3.09Å
1056V82.7Confident84.1Confident4 Ų453.1 Ų53.12%0.02428%0.275CS..Hα-helixtrans-70.3-35.5178.31730000110.9Y947 A1052 D1053 E1058 D1059 C1060 F1066Y947-V1056 HydrophobicContact CD2-CG1 3.81Å; Y947-V1056 HydrophobicContact CG-CG1 3.79Å; A1052-V1056 HydrophobicContact CB-CB 3.57Å; A1052-V1056 HydrophobicContact CB-CG1 3.46Å; A1052-V1056 VanDerWaalsContact CB-CG1 3.46Å; A1052-V1056 HydrophobicContact CB-CG2 4.47Å; D1053-V1056 PolarHBondContact O-N 3.46Å; D1053-V1056 WeakPolarHBondContact OD1-CB 3.49Å; D1053-V1056 WeakPolarHBondContact OD1-CG2 3.29Å; V1056-E1058 VanDerWaalsContact C-N 3.31Å; V1056-E1058 PolarHBondContact O-N 2.58Å; V1056-D1059 PolarHBondContact O-N 3.08Å; V1056-C1060 HydrophobicContact CG1-CB 4.29Å; V1056-C1060 WeakPolarHBondContact O-CB 3.46Å; V1056-C1060 PolarHBondContact O-N 3.26Å; V1056-F1066 HydrophobicContact CB-CD1 4.42Å; V1056-F1066 HydrophobicContact CG1-CB 4.03Å; V1056-F1066 HydrophobicContact CG1-CD1 4.07Å; V1056-F1066 HydrophobicContact CG1-CG 4.2Å; V1056-F1066 HydrophobicContact CG2-CD1 3.5Å; V1056-F1066 HydrophobicContact CG2-CE1 3.62Å; V1056-F1066 HydrophobicContact CG2-CG 4.18Å; V1056-F1066 HydrophobicContact CG2-CZ 4.37Å
1057K80.2Confident84.1Confident93 Ų9353.3 Ų53.340%0.40428%0.276SS..Hα-helixtrans-61.5-37.4173.4-71.7-177.4-154.5-172.40113.3A1049 S1050 A1052 D1053 D1054A1049-K1057 WeakPolarHBondContact O-CG 3.43Å; S1050-K1057 WeakPolarHBondContact O-CE 3.14Å; S1050-K1057 PolarHBondContact O-NZ 3.31Å; A1052-K1057 WeakPolarHBondContact O-CE 3.07Å; A1052-K1057 PolarHBondContact O-NZ 3.27Å; D1053-K1057 PolarHBondContact O-N 2.93Å; D1054-K1057 PolarHBondContact O-N 3.17Å
1058E79.4Confident84Confident63 Ų6353.7 Ų53.729%0.29428%0.281SS..Hα-helixtrans-83.4-25.2-176.4-161.1172.4-139.100112.9K992 Y993 D1054 K1055 V1056K992-E1058 IonicContact NZ-OE1 3.66Å; Y993-E1058 HydrophobicContact CE1-CG 4.13Å; Y993-E1058 WeakPolarHBondContact CE1-OE1 3.49Å; Y993-E1058 PolarHBondContact OH-OE1 3.39Å; D1054-E1058 WeakPolarHBondContact O-CB 3.45Å; D1054-E1058 PolarHBondContact O-N 3.06Å; K1055-E1058 PolarHBondContact O-N 3.43Å; V1056-E1058 VanDerWaalsContact C-N 3.31Å; V1056-E1058 PolarHBondContact O-N 2.58Å
1059D79.3Confident84Confident51 Ų5153 Ų5327%0.27328%0.278SS..Hα-helixtrans-102.9-27.4-175-70.2-12.8000114.6R996 K1055 V1056R996-D1059 IonicContact CZ-OD1 3.53Å; R996-D1059 IonicContact NH1-OD1 3.54Å; R996-D1059 PolarHBondContact NH1-OD1 3.47Å; R996-D1059 IonicContact NH2-OD1 3.8Å; R996-D1059 PolarHBondContact NH2-OD1 3.4Å; K1055-D1059 WeakPolarHBondContact O-CB 3.36Å; K1055-D1059 PolarHBondContact O-N 2.57Å; K1055-D1059 VanDerWaalsContact O-N 3.09Å; V1056-D1059 PolarHBondContact O-N 3.08Å
1060C84.6Confident83.9Confident2 Ų257 Ų571%0.01429%0.291CS..  trans-74.4135.1179.9-171.30000110.8Y947 A949 P953 A1049 V1056 F1066Y947-C1060 PolarHBondContact O-SG 3.03Å; Y947-C1060 VanDerWaalsContact O-SG 3.36Å; A949-C1060 HydrophobicContact CB-CB 4.39Å; P953-C1060 WeakPolarHBondContact CG-O 3.47Å; A1049-C1060 HydrophobicContact CB-CB 4.08Å; V1056-C1060 HydrophobicContact CG1-CB 4.29Å; V1056-C1060 WeakPolarHBondContact O-CB 3.46Å; V1056-C1060 PolarHBondContact O-N 3.26Å; C1060-F1066 HydrophobicContact CB-CB 4.23Å
1061C84.7Confident83.6Confident13 Ų1355.6 Ų55.69%0.08828%0.281CS..BIsolated β-bridgetrans-138.9153.5177.659.30000110.7Y952 G1063 K1064Y952-C1061 HydrophobicContact CD1-CB 3.99Å; Y952-C1061 HydrophobicContact CE1-CB 4.03Å; C1061-G1063 PolarHBondContact O-N 3.15Å; C1061-K1064 CarbonylContact O-C 3.45Å; C1061-K1064 PolarHBondContact O-N 2.78Å; C1061-K1064 VanDerWaalsContact O-N 3.14Å
1062P84.8Confident83.2Confident8 Ų853.3 Ų53.35%0.05227%0.271CS..THydrogen-bonded Turntrans-53.6137.4174.5-23.632.4000111.4A949 Y952 L1020 K1064A949-P1062 HydrophobicContact CB-CG 4.48Å; Y952-P1062 HydrophobicContact CD2-CG 4.29Å; Y952-P1062 HydrophobicContact CE2-CB 4.48Å; Y952-P1062 HydrophobicContact CE2-CG 4.29Å; Y952-P1062 HydrophobicContact CG-CG 4.42Å; L1020-P1062 HydrophobicContact CD1-CB 3.89Å; L1020-P1062 HydrophobicContact CG-CB 4.04Å; P1062-K1064 VanDerWaalsContact C-N 3.31Å
1063G82.6Confident82.7Confident26 Ų2656.8 Ų56.827%0.26829%0.292SS..THydrogen-bonded Turntrans89.6-11.7-177.900000113.7E1024 C1061E1024-G1063 WeakPolarHBondContact OE1-CA 3.38Å; E1024-G1063 PolarHBondContact OE1-N 2.89Å; C1061-G1063 PolarHBondContact O-N 3.15Å
1064K85.2Confident82.4Confident111 Ų11153.8 Ų53.848%0.48328%0.282SS..BIsolated β-bridgetrans-138.579.7-176.8-67.5-171.8177.1-174.20110.9M1003 C1061 P1062M1003-K1064 PolarHBondContact SD-NZ 2.87Å; C1061-K1064 CarbonylContact O-C 3.45Å; C1061-K1064 PolarHBondContact O-N 2.78Å; C1061-K1064 VanDerWaalsContact O-N 3.14Å; P1062-K1064 VanDerWaalsContact C-N 3.31Å
1065P88.6Confident82.5Confident12 Ų1248.1 Ų48.18%0.07825%0.252CS..  trans-62146-179.526-35.7000111.6Y909 T913 R920 I946 Y947 V948Y909-P1065 HydrophobicContact CE2-CG 4.28Å; Y909-P1065 WeakPolarHBondContact OH-CG 3.48Å; T913-P1065 HydrophobicContact CG2-CG 3.67Å; R920-P1065 PolarHBondContact NH2-O 3.31Å; I946-P1065 HydrophobicContact CG2-CB 3.73Å; Y947-P1065 WeakPolarHBondContact O-CA 3.45Å; Y947-P1065 WeakPolarHBondContact O-CB 3.46Å; V948-P1065 HydrophobicContact CG2-CB 4.43Å
1066F88.6Confident82.6Confident62 Ų6244.3 Ų44.327%0.27225%0.247SC..EExtended strand (participates in β ladder)trans-92.8149.8172.7-162.3-90.8000109.8I946 Y947 V1056 C1060 V1068I946-F1066 CarbonylContact C-O 3.51Å; I946-F1066 WeakPolarHBondContact CA-O 3.33Å; Y947-F1066 PolarHBondContact N-O 3.25Å; Y947-F1066 PolarHBondContact O-N 2.99Å; V1056-F1066 HydrophobicContact CB-CD1 4.42Å; V1056-F1066 HydrophobicContact CG1-CB 4.03Å; V1056-F1066 HydrophobicContact CG1-CD1 4.07Å; V1056-F1066 HydrophobicContact CG1-CG 4.2Å; V1056-F1066 HydrophobicContact CG2-CD1 3.5Å; V1056-F1066 HydrophobicContact CG2-CE1 3.62Å; V1056-F1066 HydrophobicContact CG2-CG 4.18Å; V1056-F1066 HydrophobicContact CG2-CZ 4.37Å; C1060-F1066 HydrophobicContact CB-CB 4.23Å; F1066-V1068 HydrophobicContact CD1-CG2 4.11Å; F1066-V1068 HydrophobicContact CE1-CG2 3.8Å
1067S90.1Very high82.7Confident11 Ų1144.3 Ų44.38%0.07725%0.246CC..EExtended strand (participates in β ladder)trans-141.6137.7-175.469.30000111.5L917 R920 T945L917-S1067 VanDerWaalsContact CD2-CB 3.41Å; R920-S1067 VanDerWaalsContact CD-OG 3.23Å; R920-S1067 WeakPolarHBondContact CD-OG 3.46Å; R920-S1067 VanDerWaalsContact NH1-N 3.16Å; R920-S1067 PolarHBondContact NH1-OG 3.18Å; T945-S1067 CarbonylContact O-C 3.58Å; T945-S1067 VanDerWaalsContact O-CA 3.29Å; T945-S1067 WeakPolarHBondContact O-CA 3.14Å
1068V88.7Confident83Confident62 Ų6241.5 Ų41.538%0.37624%0.238SC..EExtended strand (participates in β ladder)trans-125.3122.1177.2-177.90000109.4C944 T945 Y947 F1066C944-V1068 CarbonylContact C-O 3.52Å; C944-V1068 WeakPolarHBondContact CA-O 3.32Å; T945-V1068 PolarHBondContact N-O 3.34Å; T945-V1068 PolarHBondContact O-N 2.84Å; Y947-V1068 HydrophobicContact CE2-CG2 4.15Å; F1066-V1068 HydrophobicContact CD1-CG2 4.11Å; F1066-V1068 HydrophobicContact CE1-CG2 3.8Å
1069F88.4Confident83.4Confident20 Ų2038.5 Ų38.59%0.08822%0.224CC..EExtended strand (participates in β ladder)trans-86.4137.6172.2-65.4-79.2000110L917 R920 L921 Y924 P941 C944 L1041L917-F1069 HydrophobicContact CD2-CZ 4.5Å; R920-F1069 HydrophobicContact CB-CE2 3.75Å; R920-F1069 HydrophobicContact CB-CZ 4.5Å; L921-F1069 HydrophobicContact CB-CE1 4.11Å; L921-F1069 HydrophobicContact CB-CE2 4.29Å; L921-F1069 HydrophobicContact CB-CZ 3.75Å; L921-F1069 HydrophobicContact CD1-CD1 4.11Å; L921-F1069 HydrophobicContact CD1-CE1 3.93Å; L921-F1069 HydrophobicContact CD1-CZ 4.36Å; Y924-F1069 HydrophobicContact CD2-CB 4.2Å; Y924-F1069 HydrophobicContact CE2-CB 4.32Å; Y924-F1069 HydrophobicContact CG-CB 4.36Å; P941-F1069 HydrophobicContact CB-CB 3.83Å; P941-F1069 HydrophobicContact CB-CD1 4.22Å; P941-F1069 HydrophobicContact CB-CG 4.41Å; P941-F1069 HydrophobicContact CG-CB 4.13Å; P941-F1069 HydrophobicContact CG-CD1 3.98Å; P941-F1069 HydrophobicContact CG-CG 4.26Å; C944-F1069 HydrophobicContact CB-CD1 3.88Å; C944-F1069 HydrophobicContact CB-CE1 3.93Å; L1041-F1069 HydrophobicContact CD1-CD1 4.49Å; L1041-F1069 HydrophobicContact CD1-CE1 4.11Å
1070R83.8Confident83.9Confident92 Ų9237.6 Ų37.635%0.34722%0.221SC..EExtended strand (participates in β ladder)trans-132.7146.5174.270.3-176.7-173.1-135.9-8.3111S942 H943 T945 D1045 E1072S942-R1070 PolarHBondContact N-O 3.45Å; S942-R1070 VanDerWaalsContact N-O 3.16Å; H943-R1070 HydrophobicContact CB-CG 3.58Å; H943-R1070 PolarHBondContact N-O 3.02Å; H943-R1070 PolarHBondContact O-N 3.46Å; T945-R1070 PolarHBondContact OG1-NH1 2.84Å; D1045-R1070 IonicContact OD2-CZ 2.91Å; D1045-R1070 IonicContact OD2-NH1 3.72Å; D1045-R1070 IonicContact OD2-NH2 2.85Å; D1045-R1070 PolarHBondContact OD2-NH2 3.34Å; R1070-E1072 IonicContact NE-OE1 3.45Å
1071S77.1Confident84Confident48 Ų4838.2 Ų38.234%0.33622%0.224SC..  trans-109.9118171-57.40000107.6A939 P941A939-S1071 PolarHBondContact O-OG 3.38Å; P941-S1071 WeakPolarHBondContact CA-OG 3.29Å
1072E73.1Confident83.9Confident72 Ų7238.9 Ų38.934%0.33623%0.228SC..  trans-82.3131.9174-73-177.4174.400110.4S942 H943 R1070S942-E1072 PolarHBondContact OG-N 2.84Å; H943-E1072 IonicContact CE1-OE1 3.74Å; H943-E1072 IonicContact CE1-OE2 2.99Å; H943-E1072 PolarHBondContact CE1-OE2 2.97Å; H943-E1072 IonicContact ND1-OE1 2.77Å; H943-E1072 IonicContact ND1-OE2 3.3Å; H943-E1072 IonicContact NE2-OE1 2.62Å; H943-E1072 IonicContact NE2-OE2 3.61Å; R1070-E1072 IonicContact NE-OE1 3.45Å
1073P71.1Confident83.7Confident85 Ų8541 Ų4155%0.55224%0.237SC*.  trans-66.8142.317728.8-33.9000110.3L1159P1073-L1159 HydrophobicContact CB-CD1 3.92Å; P1073-L1159 HydrophobicContact CB-CD2 3.95Å; P1073-L1159 HydrophobicContact CG-CD1 3.74Å
1074G77.6Confident83.4Confident26 Ų2643.1 Ų43.127%0.26825%0.246SC..  trans-141.5163.9178.700000111.9I1095G1074-I1095 CarbonylContact C-O 3.55Å; G1074-I1095 WeakPolarHBondContact CA-O 3.46Å
1075V80.9Confident82.8Confident12 Ų1243.4 Ų43.47%0.07327%0.27CS..EExtended strand (participates in β ladder)trans-102.7120.5175.3177.80000108.4M1077 I1095 I1157 L1159 K1162 V1164V1075-M1077 PolarHBondContact O-N 3.36Å; V1075-I1095 PolarHBondContact N-O 3.18Å; V1075-I1095 PolarHBondContact O-N 2.87Å; V1075-I1157 HydrophobicContact CB-CG2 4.47Å; V1075-I1157 HydrophobicContact CG2-CB 3.99Å; V1075-I1157 HydrophobicContact CG2-CD1 4.41Å; V1075-I1157 HydrophobicContact CG2-CG2 4.3Å; V1075-L1159 HydrophobicContact CG2-CD2 4.26Å; V1075-K1162 HydrophobicContact CG1-CB 4.26Å; V1075-K1162 WeakPolarHBondContact CG1-O 3.46Å; V1075-V1164 HydrophobicContact CB-CG2 3.86Å; V1075-V1164 HydrophobicContact CG1-CG2 3.8Å
1076A82.8Confident82.1Confident58 Ų5845 Ų4548%0.47928%0.277SS..EExtended strand (participates in β ladder)trans-65.9121.5179.300000111.5D1094A1076-D1094 VanDerWaalsContact CA-OD1 3.23Å; A1076-D1094 WeakPolarHBondContact CA-OD1 3.34Å; A1076-D1094 VanDerWaalsContact CB-OD1 3.3Å; A1076-D1094 WeakPolarHBondContact CB-OD1 3.49Å; A1076-D1094 PolarHBondContact N-OD1 2.92Å
1077M85.6Confident81.4Confident3 Ų344.1 Ų44.12%0.01529%0.286CS..EExtended strand (participates in β ladder)trans-114.6147.1172.9-69.4-163.174.200111.4V1075 L1079 K1092 L1093 I1095 V1164 I1175 G1176 D1177 L1179V1075-M1077 PolarHBondContact O-N 3.36Å; M1077-L1079 HydrophobicContact CB-CD1 4.43Å; M1077-K1092 WeakPolarHBondContact O-CA 3.14Å; M1077-L1093 PolarHBondContact N-O 3.37Å; M1077-L1093 PolarHBondContact O-N 3.49Å; M1077-I1095 HydrophobicContact CB-CG1 3.99Å; M1077-I1095 HydrophobicContact CG-CB 4.43Å; M1077-I1095 HydrophobicContact CG-CG1 3.65Å; M1077-I1095 HydrophobicContact SD-CB 4.31Å; M1077-I1095 HydrophobicContact SD-CG1 3.46Å; M1077-I1095 WeakPolarHBondContact SD-CG1 3.39Å; M1077-V1164 HydrophobicContact CG-CG2 3.9Å; M1077-V1164 HydrophobicContact SD-CB 3.8Å; M1077-V1164 HydrophobicContact SD-CG1 3.92Å; M1077-V1164 HydrophobicContact SD-CG2 3.66Å; M1077-I1175 HydrophobicContact CE-CD1 3.98Å; M1077-I1175 HydrophobicContact CE-CG1 4.2Å; M1077-I1175 HydrophobicContact SD-CD1 4.05Å; M1077-G1176 VanDerWaalsContact CE-O 3.29Å; M1077-G1176 WeakPolarHBondContact CE-O 3.2Å; M1077-D1177 WeakPolarHBondContact CA-O 3.41Å; M1077-L1179 HydrophobicContact CE-CD1 4.12Å; M1077-L1179 HydrophobicContact CE-CD2 4.48Å; M1077-L1179 HydrophobicContact CE-CG 3.7Å; M1077-L1179 HydrophobicContact SD-CD1 4.04Å; M1077-L1179 HydrophobicContact SD-CG 4.29Å
1078S86.4Confident81.1Confident34 Ų3444.3 Ų44.324%0.23829%0.286CS..EExtended strand (participates in β ladder)trans-87.8117.5173.9-1700000110D1177 T1178 L1179S1078-D1177 PolarHBondContact N-O 3.38Å; S1078-T1178 CarbonylContact O-C 3.59Å; S1078-T1178 VanDerWaalsContact O-CA 3.24Å; S1078-T1178 WeakPolarHBondContact O-CA 3.09Å; S1078-T1178 WeakPolarHBondContact O-CG2 3.43Å; S1078-L1179 PolarHBondContact O-N 2.76Å
1079L88.5Confident80.7Confident0 Ų048.7 Ų48.70%030%0.3CS..EExtended strand (participates in β ladder)trans-99.8116.2173.1-80.780.9000109.3M1077 S1090 T1091 L1093 I1104 L1108 L1123 L1179 Y1181M1077-L1079 HydrophobicContact CB-CD1 4.43Å; L1079-S1090 CarbonylContact O-C 3.5Å; L1079-S1090 VanDerWaalsContact O-CA 3.22Å; L1079-S1090 WeakPolarHBondContact O-CA 3.48Å; L1079-T1091 HydrophobicContact CB-CG2 4.16Å; L1079-T1091 PolarHBondContact N-O 3.04Å; L1079-T1091 PolarHBondContact O-N 3.43Å; L1079-L1093 HydrophobicContact CD1-CB 3.84Å; L1079-L1093 HydrophobicContact CD1-CD1 3.89Å; L1079-L1093 HydrophobicContact CD1-CG 4.14Å; L1079-L1093 HydrophobicContact CD2-CD1 3.73Å; L1079-L1093 HydrophobicContact CG-CD1 4.34Å; L1079-I1104 HydrophobicContact CD2-CG2 4.07Å; L1079-L1108 HydrophobicContact CD2-CD1 4.14Å; L1079-L1108 HydrophobicContact CD2-CD2 4.13Å; L1079-L1123 HydrophobicContact CD2-CD1 3.96Å; L1079-L1179 CarbonylContact C-O 3.59Å; L1079-L1179 WeakPolarHBondContact CA-O 3.48Å; L1079-L1179 HydrophobicContact CG-CB 4.04Å; L1079-Y1181 HydrophobicContact CB-CD1 3.86Å; L1079-Y1181 HydrophobicContact CB-CE1 4.13Å
1080V87.8Confident80.4Confident33 Ų3351.2 Ų51.220%0.232%0.32CS..EExtended strand (participates in β ladder)trans-107.8134.5-175.6-178.90000110.3T1178 L1179 V1180 Y1181V1080-T1178 HydrophobicContact CG2-CG2 3.76Å; V1080-L1179 PolarHBondContact N-O 2.91Å; V1080-V1180 VanDerWaalsContact O-CA 3.3Å; V1080-V1180 WeakPolarHBondContact O-CA 3.39Å; V1080-Y1181 PolarHBondContact O-N 2.83Å
1081N87.2Confident80.5Confident14 Ų1448.2 Ų48.28%0.07531%0.312CS..  trans-106.9112.3167.3-171-40000109.5Q1083 N1086 L1088 Y1181N1081-Q1083 PolarHBondContact ND2-OE1 3.42Å; N1081-Q1083 WeakPolarHBondContact OD1-CB 3.47Å; N1081-Q1083 WeakPolarHBondContact OD1-CG 3.46Å; N1081-Q1083 PolarHBondContact OD1-N 2.84Å; N1081-Q1083 PolarHBondContact OD1-OE1 3.09Å; N1081-N1086 VanDerWaalsContact CG-ND2 3.28Å; N1081-N1086 PolarHBondContact ND2-ND2 3.43Å; N1081-N1086 PolarHBondContact OD1-ND2 3.13Å; N1081-L1088 HydrophobicContact CB-CB 4.14Å; N1081-L1088 WeakPolarHBondContact ND2-CD1 3.32Å; N1081-Y1181 WeakPolarHBondContact CA-O 3.28Å; N1081-Y1181 HydrophobicContact CB-CD1 4.16Å; N1081-Y1181 HydrophobicContact CB-CD2 4.21Å; N1081-Y1181 HydrophobicContact CB-CE1 3.73Å; N1081-Y1181 HydrophobicContact CB-CE2 3.8Å; N1081-Y1181 HydrophobicContact CB-CG 4.41Å; N1081-Y1181 VanDerWaalsContact CG-O 3.27Å; N1081-Y1181 PolarHBondContact ND2-O 3.25Å
1082P82.2Confident80.9Confident28 Ų2853.8 Ų53.818%0.18233%0.331CS..  trans-91.51.7-178.135.9-38000114.3E1142 V1180 L1182P1082-E1142 HydrophobicContact CG-CB 4.39Å; P1082-V1180 HydrophobicContact CG-CG1 3.94Å; P1082-L1182 HydrophobicContact CG-CD2 3.83Å
1083Q81.6Confident81.4Confident52 Ų5251 Ų5124%0.24332%0.318CS..  trans-71.5131-175.9-50.7168.1-85.200110.1N1081 N1086 E1142 L1182 I1183N1081-Q1083 PolarHBondContact ND2-OE1 3.42Å; N1081-Q1083 WeakPolarHBondContact OD1-CB 3.47Å; N1081-Q1083 WeakPolarHBondContact OD1-CG 3.46Å; N1081-Q1083 PolarHBondContact OD1-N 2.84Å; N1081-Q1083 PolarHBondContact OD1-OE1 3.09Å; Q1083-N1086 WeakPolarHBondContact CB-ND2 3.44Å; Q1083-N1086 PolarHBondContact O-OD1 3.25Å; Q1083-N1086 PolarHBondContact OE1-ND2 3.3Å; Q1083-E1142 HydrophobicContact CG-CG 4.47Å; Q1083-L1182 HydrophobicContact CG-CD2 3.5Å; Q1083-L1182 VanDerWaalsContact CG-CD2 3.5Å; Q1083-I1183 PolarHBondContact NE2-O 3.34Å; Q1083-I1183 PolarHBondContact OE1-O 3.3Å
1084P75.7Confident81.9Confident70 Ų7050.9 Ų50.946%0.45531%0.312SS..THydrogen-bonded Turntrans-68.3151.1-179.727.8-33.8000111.8N1086 L1139 E1142P1084-N1086 PolarHBondContact O-N 2.83Å; P1084-N1086 VanDerWaalsContact O-N 3.16Å; P1084-L1139 HydrophobicContact CB-CD1 3.94Å; P1084-L1139 HydrophobicContact CG-CD1 4.15Å; P1084-L1139 HydrophobicContact CG-CG 4.42Å; P1084-E1142 WeakPolarHBondContact CD-OE1 3.49Å
1085A73.8Confident82.2Confident118 Ų11849.6 Ų49.698%0.97530%0.3SS*.THydrogen-bonded Turntrans58.323.617400000116
1086N72.9Confident82.2Confident44 Ų4450 Ų5024%0.23530%0.3CS..  trans-102.1153.7166.176.717.1000110.9N1081 Q1083 P1084 L1088N1081-N1086 VanDerWaalsContact CG-ND2 3.28Å; N1081-N1086 PolarHBondContact ND2-ND2 3.43Å; N1081-N1086 PolarHBondContact OD1-ND2 3.13Å; Q1083-N1086 WeakPolarHBondContact CB-ND2 3.44Å; Q1083-N1086 PolarHBondContact O-OD1 3.25Å; Q1083-N1086 PolarHBondContact OE1-ND2 3.3Å; P1084-N1086 PolarHBondContact O-N 2.83Å; P1084-N1086 VanDerWaalsContact O-N 3.16Å; N1086-L1088 HydrophobicContact CB-CD1 4.41Å; N1086-L1088 HydrophobicContact CB-CG 4.49Å; N1086-L1088 PolarHBondContact O-N 2.81Å; N1086-L1088 PolarHBondContact OD1-N 3.33Å; N1086-L1088 VanDerWaalsContact OD1-N 3.16Å; N1086-L1088 PolarHBondContact OD1-O 3Å; N1086-L1088 VanDerWaalsContact OD1-O 3.13Å
1087G75.3Confident82.2Confident44 Ų4452.4 Ų52.445%0.45430%0.301SS..SBendtrans-80.317.5175.700000113.9L1114G1087-L1114 WeakPolarHBondContact O-CD1 3.29Å
1088L82.2Confident81.8Confident15 Ų1554.3 Ų54.38%0.07932%0.322CS..  trans-105.6113.7-170.6-57166.2000108.9N1081 N1086 N1112 L1114 I1115 Y1181 I1183N1081-L1088 HydrophobicContact CB-CB 4.14Å; N1081-L1088 WeakPolarHBondContact ND2-CD1 3.32Å; N1086-L1088 HydrophobicContact CB-CD1 4.41Å; N1086-L1088 HydrophobicContact CB-CG 4.49Å; N1086-L1088 PolarHBondContact O-N 2.81Å; N1086-L1088 PolarHBondContact OD1-N 3.33Å; N1086-L1088 VanDerWaalsContact OD1-N 3.16Å; N1086-L1088 PolarHBondContact OD1-O 3Å; N1086-L1088 VanDerWaalsContact OD1-O 3.13Å; L1088-N1112 WeakPolarHBondContact CD2-ND2 3.23Å; L1088-L1114 HydrophobicContact CD2-CB 3.88Å; L1088-L1114 HydrophobicContact CD2-CD1 4.38Å; L1088-I1115 HydrophobicContact CD2-CG1 4.15Å; L1088-Y1181 HydrophobicContact CB-CE2 4.27Å; L1088-I1183 HydrophobicContact CD1-CB 4.29Å; L1088-I1183 HydrophobicContact CD1-CD1 3.25Å; L1088-I1183 HydrophobicContact CD1-CG1 3.64Å; L1088-I1183 HydrophobicContact CD2-CD1 4.25Å; L1088-I1183 HydrophobicContact CG-CD1 4.39Å
1089F80.1Confident81.6Confident154 Ų15453.3 Ų53.368%0.67531%0.314SS*.  trans-107.6175.4-176-61-75.2000112.4T1091 Y1181F1089-T1091 PolarHBondContact O-N 3.06Å; F1089-Y1181 PolarHBondContact O-OH 2.98Å
1090S83Confident81.4Confident73 Ų7354.8 Ų54.851%0.5132%0.324SS..  trans-61.1131.7171.8-53.10000111.3L1079L1079-S1090 CarbonylContact O-C 3.5Å; L1079-S1090 VanDerWaalsContact O-CA 3.22Å; L1079-S1090 WeakPolarHBondContact O-CA 3.48Å
1091T85.2Confident81.3Confident29 Ų2955.3 Ų55.318%0.17832%0.324CS..EExtended strand (participates in β ladder)trans-131.9155.6177.5-167.30000110.9L1079 F1089 L1093 L1108 V1111L1079-T1091 HydrophobicContact CB-CG2 4.16Å; L1079-T1091 PolarHBondContact N-O 3.04Å; L1079-T1091 PolarHBondContact O-N 3.43Å; F1089-T1091 PolarHBondContact O-N 3.06Å; T1091-L1093 HydrophobicContact CG2-CG 4.43Å; T1091-L1108 HydrophobicContact CG2-CD1 3.54Å; T1091-V1111 WeakPolarHBondContact OG1-CG1 2.98Å
1092K85.4Confident80.9Confident166 Ų16658.7 Ų58.772%0.72234%0.342SS*.EExtended strand (participates in β ladder)trans-100.5131.2175.2-68.4-174.1178.1-176.70109.8M1077M1077-K1092 WeakPolarHBondContact O-CA 3.14Å
1093L83.4Confident80.9Confident12 Ų1259.1 Ų59.16%0.06334%0.344CS..EExtended strand (participates in β ladder)trans-132139.7173.7-68.4173000109.8M1077 L1079 T1091 R1107 L1108 V1111M1077-L1093 PolarHBondContact N-O 3.37Å; M1077-L1093 PolarHBondContact O-N 3.49Å; L1079-L1093 HydrophobicContact CD1-CB 3.84Å; L1079-L1093 HydrophobicContact CD1-CD1 3.89Å; L1079-L1093 HydrophobicContact CD1-CG 4.14Å; L1079-L1093 HydrophobicContact CD2-CD1 3.73Å; L1079-L1093 HydrophobicContact CG-CD1 4.34Å; T1091-L1093 HydrophobicContact CG2-CG 4.43Å; L1093-R1107 HydrophobicContact CD2-CB 4.33Å; L1093-L1108 HydrophobicContact CD1-CB 3.79Å; L1093-L1108 HydrophobicContact CD1-CD1 3.98Å; L1093-L1108 HydrophobicContact CD1-CG 4.47Å; L1093-V1111 HydrophobicContact CD2-CB 4.24Å; L1093-V1111 HydrophobicContact CD2-CG2 3.55Å
1094D83.3Confident81Confident83 Ų8356.7 Ų56.744%0.44433%0.333SS..EExtended strand (participates in β ladder)trans-78.2123.6171.1-64.4-32.5000109.7A1076 R1107A1076-D1094 VanDerWaalsContact CA-OD1 3.23Å; A1076-D1094 WeakPolarHBondContact CA-OD1 3.34Å; A1076-D1094 VanDerWaalsContact CB-OD1 3.3Å; A1076-D1094 WeakPolarHBondContact CB-OD1 3.49Å; A1076-D1094 PolarHBondContact N-OD1 2.92Å; D1094-R1107 PolarHBondContact O-NH1 3.2Å
1095I83.2Confident81.4Confident0 Ų053.7 Ų53.70%031%0.313CS..EExtended strand (participates in β ladder)trans-88.6137.8167.7-55.7-52.6000108.8G1074 V1075 M1077 D1099 I1104 F1155 I1157 V1164G1074-I1095 CarbonylContact C-O 3.55Å; G1074-I1095 WeakPolarHBondContact CA-O 3.46Å; V1075-I1095 PolarHBondContact N-O 3.18Å; V1075-I1095 PolarHBondContact O-N 2.87Å; M1077-I1095 HydrophobicContact CB-CG1 3.99Å; M1077-I1095 HydrophobicContact CG-CB 4.43Å; M1077-I1095 HydrophobicContact CG-CG1 3.65Å; M1077-I1095 HydrophobicContact SD-CB 4.31Å; M1077-I1095 HydrophobicContact SD-CG1 3.46Å; M1077-I1095 WeakPolarHBondContact SD-CG1 3.39Å; I1095-D1099 HydrophobicContact CG2-CB 4.39Å; I1095-I1104 HydrophobicContact CD1-CD1 3.59Å; I1095-I1104 HydrophobicContact CD1-CG1 3.74Å; I1095-I1104 HydrophobicContact CD1-CG2 4.15Å; I1095-F1155 HydrophobicContact CG2-CB 3.76Å; I1095-F1155 HydrophobicContact CG2-CD1 3.97Å; I1095-F1155 HydrophobicContact CG2-CG 4.09Å; I1095-I1157 HydrophobicContact CB-CG2 4.48Å; I1095-I1157 HydrophobicContact CG2-CG2 4.11Å; I1095-V1164 HydrophobicContact CB-CG1 4.32Å; I1095-V1164 HydrophobicContact CB-CG2 4.32Å; I1095-V1164 HydrophobicContact CG2-CG1 3.79Å
1096R81.2Confident81.7Confident21 Ų2154.3 Ų54.38%0.07929%0.29CS..  trans-118162.3-176-60.9-170.8-169.5140.418.7111S942 H943 E1042 G1098 D1099S942-R1096 VanDerWaalsContact CB-CZ 3.49Å; S942-R1096 VanDerWaalsContact CB-NH2 3.26Å; S942-R1096 PolarHBondContact OG-NH1 3.41Å; H943-R1096 PolarHBondContact CE1-NH1 3.44Å; E1042-R1096 IonicContact OE1-CZ 3.81Å; E1042-R1096 IonicContact OE1-NH1 3.03Å; E1042-R1096 IonicContact OE1-NH2 2.67Å; E1042-R1096 PolarHBondContact OE1-NH2 3.35Å; E1042-R1096 IonicContact OE2-CZ 3.86Å; E1042-R1096 VanDerWaalsContact OE2-CZ 3.29Å; E1042-R1096 IonicContact OE2-NH1 2.71Å; E1042-R1096 PolarHBondContact OE2-NH1 2.87Å; E1042-R1096 IonicContact OE2-NH2 3.11Å; E1042-R1096 PolarHBondContact OE2-NH2 2.84Å; R1096-G1098 PolarHBondContact O-N 2.95Å; R1096-D1099 PolarHBondContact N-OD2 3.47Å; R1096-D1099 WeakPolarHBondContact O-CB 3.34Å; R1096-D1099 VanDerWaalsContact O-CG 3.27Å; R1096-D1099 PolarHBondContact O-N 2.97Å
1097Q81.5Confident82.1Confident107 Ų10753 Ų5350%0.528%0.282SS..THydrogen-bonded Turntrans-62.4125.8178.3-175.85729.100110.3N1156 I1157Q1097-N1156 PolarHBondContact NE2-OD1 3.17Å; Q1097-N1156 VanDerWaalsContact OE1-CA 3.3Å; Q1097-I1157 HydrophobicContact CB-CD1 4.35Å; Q1097-I1157 HydrophobicContact CB-CG1 3.9Å; Q1097-I1157 PolarHBondContact OE1-O 2.92Å
1098G78.9Confident82.5Confident44 Ų4451 Ų5145%0.45426%0.26SS..THydrogen-bonded Turntrans84.36.6178.300000114.9R1096 F1155R1096-G1098 PolarHBondContact O-N 2.95Å; G1098-F1155 WeakPolarHBondContact CA-O 3.48Å; G1098-F1155 PolarHBondContact N-O 2.85Å
1099D81.8Confident82.4Confident12 Ų1251.1 Ų51.16%0.06426%0.264CS..EExtended strand (participates in β ladder)trans-59.8142.5179.1-82.1-24.3000111.9I1095 R1096 I1104 R1107 F1155I1095-D1099 HydrophobicContact CG2-CB 4.39Å; R1096-D1099 PolarHBondContact N-OD2 3.47Å; R1096-D1099 WeakPolarHBondContact O-CB 3.34Å; R1096-D1099 VanDerWaalsContact O-CG 3.27Å; R1096-D1099 PolarHBondContact O-N 2.97Å; D1099-I1104 HydrophobicContact CB-CD1 4.42Å; D1099-I1104 HydrophobicContact CB-CG1 4.3Å; D1099-R1107 IonicContact OD1-CZ 3.85Å; D1099-R1107 IonicContact OD1-NH1 3.89Å; D1099-R1107 IonicContact OD1-NH2 3.72Å; D1099-R1107 PolarHBondContact OD1-NH2 2.94Å; D1099-R1107 IonicContact OD2-CZ 3.67Å; D1099-R1107 IonicContact OD2-NH1 4Å; D1099-R1107 PolarHBondContact OD2-NH1 2.95Å; D1099-R1107 IonicContact OD2-NH2 2.69Å; D1099-R1107 PolarHBondContact OD2-NH2 3.34Å; D1099-F1155 HydrophobicContact CB-CB 4.03Å; D1099-F1155 HydrophobicContact CB-CD2 4.41Å; D1099-F1155 HydrophobicContact CB-CG 4.48Å; D1099-F1155 VanDerWaalsContact O-CD2 3.3Å; D1099-F1155 WeakPolarHBondContact O-CD2 3.33Å; D1099-F1155 PolarHBondContact O-N 3.34Å
1100S84.9Confident82.2Confident32 Ų3248.8 Ų48.822%0.22425%0.254CS..EExtended strand (participates in β ladder)trans-103.9163.8169.171.40000111D1102 T1103 I1104S1100-D1102 PolarHBondContact O-N 3.5Å; S1100-T1103 WeakPolarHBondContact O-CB 3.3Å; S1100-T1103 PolarHBondContact O-N 2.77Å; S1100-T1103 PolarHBondContact OG-N 2.99Å; S1100-T1103 PolarHBondContact OG-OG1 3.07Å; S1100-I1104 PolarHBondContact O-N 3.13Å; S1100-I1104 VanDerWaalsContact O-N 3.14Å
1101K83.7Confident81.9Confident44 Ų4449.2 Ų49.219%0.19125%0.253CS..Hα-helixtrans-47.2-48.4171.7179.8-170.5173.8-172.70111.8T1103 I1104 V1105 L1123K1101-T1103 VanDerWaalsContact C-N 3.26Å; K1101-T1103 PolarHBondContact O-N 3.15Å; K1101-I1104 PolarHBondContact O-N 3.43Å; K1101-V1105 HydrophobicContact CG-CG2 4.36Å; K1101-V1105 VanDerWaalsContact O-CG2 3.32Å; K1101-V1105 WeakPolarHBondContact O-CG2 3.25Å; K1101-V1105 PolarHBondContact O-N 3.07Å; K1101-L1123 HydrophobicContact CG-CB 4.21Å; K1101-L1123 HydrophobicContact CG-CD2 4.29Å
1102D80.8Confident81.5Confident84 Ų8449 Ų4945%0.44925%0.251SS..Hα-helixtrans-67.5-28.9-176.1-59.9-33.3000112.6S1100 R1106S1100-D1102 PolarHBondContact O-N 3.5Å; D1102-R1106 WeakPolarHBondContact O-CB 3.48Å; D1102-R1106 WeakPolarHBondContact O-CG 3.49Å; D1102-R1106 PolarHBondContact O-N 3.25Å; D1102-R1106 PolarHBondContact O-NE 3.04Å
1103T81.4Confident80.9Confident38 Ų3851.5 Ų51.523%0.23326%0.256CS..Hα-helixtrans-73.1-38.3178-47.70000110.7S1100 K1101 R1107S1100-T1103 WeakPolarHBondContact O-CB 3.3Å; S1100-T1103 PolarHBondContact O-N 2.77Å; S1100-T1103 PolarHBondContact OG-N 2.99Å; S1100-T1103 PolarHBondContact OG-OG1 3.07Å; K1101-T1103 VanDerWaalsContact C-N 3.26Å; K1101-T1103 PolarHBondContact O-N 3.15Å; T1103-R1107 VanDerWaalsContact CG2-NH2 3.27Å; T1103-R1107 PolarHBondContact O-N 3.3Å; T1103-R1107 PolarHBondContact O-NE 3.19Å
1104I83.6Confident80.5Confident1 Ų156.6 Ų56.61%0.00528%0.282CS..Hα-helixtrans-69.9-43.5174.9-62169.9000110.6L1079 I1095 D1099 S1100 K1101 R1106 R1107 L1108 L1123 F1155L1079-I1104 HydrophobicContact CD2-CG2 4.07Å; I1095-I1104 HydrophobicContact CD1-CD1 3.59Å; I1095-I1104 HydrophobicContact CD1-CG1 3.74Å; I1095-I1104 HydrophobicContact CD1-CG2 4.15Å; D1099-I1104 HydrophobicContact CB-CD1 4.42Å; D1099-I1104 HydrophobicContact CB-CG1 4.3Å; S1100-I1104 PolarHBondContact O-N 3.13Å; S1100-I1104 VanDerWaalsContact O-N 3.14Å; K1101-I1104 PolarHBondContact O-N 3.43Å; I1104-R1106 VanDerWaalsContact C-N 3.34Å; I1104-R1106 PolarHBondContact O-N 3.45Å; I1104-R1107 PolarHBondContact O-N 2.94Å; I1104-L1108 WeakPolarHBondContact O-CB 3.47Å; I1104-L1108 PolarHBondContact O-N 3.32Å; I1104-L1123 HydrophobicContact CB-CD2 4.2Å; I1104-L1123 HydrophobicContact CD1-CD2 4.22Å; I1104-L1123 HydrophobicContact CG2-CD1 4.46Å; I1104-L1123 HydrophobicContact CG2-CD2 3.97Å; I1104-F1155 HydrophobicContact CD1-CD1 4.03Å; I1104-F1155 HydrophobicContact CD1-CD2 3.58Å; I1104-F1155 HydrophobicContact CD1-CE1 3.73Å; I1104-F1155 HydrophobicContact CD1-CE2 3.26Å; I1104-F1155 HydrophobicContact CD1-CG 3.96Å; I1104-F1155 HydrophobicContact CD1-CZ 3.31Å
1105V84.1Confident80.2Confident6 Ų653.2 Ų53.24%0.03626%0.264CS..Hα-helixtrans-61.9-41.2177170.30000111.2K1101 L1108 A1109 L1118 V1121K1101-V1105 HydrophobicContact CG-CG2 4.36Å; K1101-V1105 VanDerWaalsContact O-CG2 3.32Å; K1101-V1105 WeakPolarHBondContact O-CG2 3.25Å; K1101-V1105 PolarHBondContact O-N 3.07Å; V1105-L1108 PolarHBondContact O-N 2.74Å; V1105-A1109 PolarHBondContact O-N 3.2Å; V1105-L1118 HydrophobicContact CG1-CB 4.13Å; V1105-L1118 HydrophobicContact CG1-CD2 3.91Å; V1105-V1121 HydrophobicContact CG1-CB 3.74Å; V1105-V1121 HydrophobicContact CG1-CG1 4.02Å; V1105-V1121 HydrophobicContact CG1-CG2 4.01Å; V1105-V1121 HydrophobicContact CG2-CB 4.25Å; V1105-V1121 HydrophobicContact CG2-CG1 3.88Å
1106R79.1Confident79.8Confident132 Ų13262.8 Ų62.850%0.49831%0.306SS..Hα-helixtrans-61.5-43.7172.8-81.9-177.9-83.6162.1-8.6112.3D1102 I1104 A1109 K1110 L1118D1102-R1106 WeakPolarHBondContact O-CB 3.48Å; D1102-R1106 WeakPolarHBondContact O-CG 3.49Å; D1102-R1106 PolarHBondContact O-N 3.25Å; D1102-R1106 PolarHBondContact O-NE 3.04Å; I1104-R1106 VanDerWaalsContact C-N 3.34Å; I1104-R1106 PolarHBondContact O-N 3.45Å; R1106-A1109 PolarHBondContact O-N 3.49Å; R1106-K1110 WeakPolarHBondContact O-CG 3.43Å; R1106-K1110 PolarHBondContact O-N 3.05Å; R1106-K1110 VanDerWaalsContact O-N 3.15Å; R1106-L1118 HydrophobicContact CG-CD1 4Å
1107R82.4Confident79.6Confident16 Ų1665.2 Ų65.26%0.0632%0.32CS..Hα-helixtrans-63.6-40.2174.7-95.6176.7-75.5169.3-4.3112.3E1042 L1093 D1094 D1099 T1103 I1104 K1110 V1111E1042-R1107 WeakPolarHBondContact OE1-CD 3.35Å; E1042-R1107 IonicContact OE2-NE 3.78Å; L1093-R1107 HydrophobicContact CD2-CB 4.33Å; D1094-R1107 PolarHBondContact O-NH1 3.2Å; D1099-R1107 IonicContact OD1-CZ 3.85Å; D1099-R1107 IonicContact OD1-NH1 3.89Å; D1099-R1107 IonicContact OD1-NH2 3.72Å; D1099-R1107 PolarHBondContact OD1-NH2 2.94Å; D1099-R1107 IonicContact OD2-CZ 3.67Å; D1099-R1107 IonicContact OD2-NH1 4Å; D1099-R1107 PolarHBondContact OD2-NH1 2.95Å; D1099-R1107 IonicContact OD2-NH2 2.69Å; D1099-R1107 PolarHBondContact OD2-NH2 3.34Å; T1103-R1107 VanDerWaalsContact CG2-NH2 3.27Å; T1103-R1107 PolarHBondContact O-N 3.3Å; T1103-R1107 PolarHBondContact O-NE 3.19Å; I1104-R1107 PolarHBondContact O-N 2.94Å; R1107-K1110 PolarHBondContact O-N 2.71Å; R1107-V1111 PolarHBondContact O-N 2.85Å; R1107-V1111 VanDerWaalsContact O-N 3.15Å
1108L82.4Confident79.5Confident1 Ų163.8 Ų63.81%0.00532%0.316CS..Hα-helixtrans-62.5-43.2177.2179.963.1000112L1079 T1091 L1093 I1104 V1105 K1110 V1111 N1112 I1115 V1121 Y1181L1079-L1108 HydrophobicContact CD2-CD1 4.14Å; L1079-L1108 HydrophobicContact CD2-CD2 4.13Å; T1091-L1108 HydrophobicContact CG2-CD1 3.54Å; L1093-L1108 HydrophobicContact CD1-CB 3.79Å; L1093-L1108 HydrophobicContact CD1-CD1 3.98Å; L1093-L1108 HydrophobicContact CD1-CG 4.47Å; I1104-L1108 WeakPolarHBondContact O-CB 3.47Å; I1104-L1108 PolarHBondContact O-N 3.32Å; V1105-L1108 PolarHBondContact O-N 2.74Å; L1108-K1110 VanDerWaalsContact C-N 3.34Å; L1108-K1110 PolarHBondContact O-N 2.76Å; L1108-V1111 PolarHBondContact O-N 2.89Å; L1108-N1112 PolarHBondContact O-N 2.8Å; L1108-I1115 HydrophobicContact CD2-CD1 4.03Å; L1108-I1115 HydrophobicContact CG-CD1 3.79Å; L1108-V1121 HydrophobicContact CD2-CG1 4.24Å; L1108-Y1181 HydrophobicContact CD1-CD1 4.39Å; L1108-Y1181 HydrophobicContact CD1-CE1 4.14Å; L1108-Y1181 HydrophobicContact CD1-CE2 4.37Å; L1108-Y1181 HydrophobicContact CD2-CD1 4.09Å; L1108-Y1181 HydrophobicContact CD2-CD2 3.56Å; L1108-Y1181 HydrophobicContact CD2-CE2 4.04Å; L1108-Y1181 HydrophobicContact CD2-CG 3.55Å
1109A80.6Confident79.4Confident19 Ų1966.6 Ų66.616%0.15733%0.328CS..Hα-helixtrans-68.1-30.9176.500000113.4V1105 R1106 V1111 N1112 I1115 L1118V1105-A1109 PolarHBondContact O-N 3.2Å; R1106-A1109 PolarHBondContact O-N 3.49Å; A1109-V1111 VanDerWaalsContact C-N 3.34Å; A1109-N1112 CarbonylContact O-C 3.51Å; A1109-N1112 VanDerWaalsContact O-C 3.3Å; A1109-N1112 VanDerWaalsContact O-O 3.11Å; A1109-I1115 HydrophobicContact CB-CB 4.13Å; A1109-I1115 HydrophobicContact CB-CG2 4.16Å; A1109-L1118 HydrophobicContact CB-CD2 3.31Å
1110K75.4Confident79.4Confident104 Ų10472 Ų7245%0.45235%0.348SS..Hα-helixtrans-65-37.9172.1-74.6-178.4178.7-177.50112L1041 R1106 R1107 L1108L1041-K1110 PolarHBondContact O-NZ 3.23Å; R1106-K1110 WeakPolarHBondContact O-CG 3.43Å; R1106-K1110 PolarHBondContact O-N 3.05Å; R1106-K1110 VanDerWaalsContact O-N 3.15Å; R1107-K1110 PolarHBondContact O-N 2.71Å; L1108-K1110 VanDerWaalsContact C-N 3.34Å; L1108-K1110 PolarHBondContact O-N 2.76Å
1111V77.6Confident79.4Confident82 Ų8270.7 Ų70.750%0.49734%0.339SS..Hα-helixtrans-79.5-34.3178.4177.20000111.8T1091 L1093 R1107 L1108 A1109T1091-V1111 WeakPolarHBondContact OG1-CG1 2.98Å; L1093-V1111 HydrophobicContact CD2-CB 4.24Å; L1093-V1111 HydrophobicContact CD2-CG2 3.55Å; R1107-V1111 PolarHBondContact O-N 2.85Å; R1107-V1111 VanDerWaalsContact O-N 3.15Å; L1108-V1111 PolarHBondContact O-N 2.89Å; A1109-V1111 VanDerWaalsContact C-N 3.34Å
1112N76.3Confident79.6Confident25 Ų2570.7 Ų70.713%0.13434%0.339CS..  trans-11994.1179.3-165.2-19.4000111.6L1088 L1108 A1109 L1114 I1115L1088-N1112 WeakPolarHBondContact CD2-ND2 3.23Å; L1108-N1112 PolarHBondContact O-N 2.8Å; A1109-N1112 CarbonylContact O-C 3.51Å; A1109-N1112 VanDerWaalsContact O-C 3.3Å; A1109-N1112 VanDerWaalsContact O-O 3.11Å; N1112-L1114 PolarHBondContact O-N 2.97Å; N1112-L1114 WeakPolarHBondContact OD1-CB 3.22Å; N1112-L1114 PolarHBondContact OD1-N 3.22Å; N1112-I1115 HydrophobicContact CB-CD1 4.23Å; N1112-I1115 HydrophobicContact CB-CG1 4.25Å; N1112-I1115 WeakPolarHBondContact O-CG1 3.49Å; N1112-I1115 PolarHBondContact O-N 3.4Å; N1112-I1115 VanDerWaalsContact O-N 3.12Å
1113R72.3Confident80Confident219 Ų21966.8 Ų66.883%0.82632%0.317SS*.THydrogen-bonded Turntrans-65.1-7.8-177.2-63.4-175.7179-174-1.7114.7I1115R1113-I1115 PolarHBondContact O-N 3.2Å
1114L75.3Confident80.3Confident118 Ų11865 Ų6562%0.61831%0.307SS*.THydrogen-bonded Turntrans-73.9-15.9174-64172.5000112.4G1087 L1088 N1112 K1116G1087-L1114 WeakPolarHBondContact O-CD1 3.29Å; L1088-L1114 HydrophobicContact CD2-CB 3.88Å; L1088-L1114 HydrophobicContact CD2-CD1 4.38Å; N1112-L1114 PolarHBondContact O-N 2.97Å; N1112-L1114 WeakPolarHBondContact OD1-CB 3.22Å; N1112-L1114 PolarHBondContact OD1-N 3.22Å; L1114-K1116 PolarHBondContact O-N 3.43Å
1115I78.3Confident80.5Confident12 Ų1267 Ų676%0.06231%0.314CS..  trans-83.794.8176.7-49.9-170.8000109.1L1088 L1108 A1109 N1112 R1113 V1121 Y1181 I1183L1088-I1115 HydrophobicContact CD2-CG1 4.15Å; L1108-I1115 HydrophobicContact CD2-CD1 4.03Å; L1108-I1115 HydrophobicContact CG-CD1 3.79Å; A1109-I1115 HydrophobicContact CB-CB 4.13Å; A1109-I1115 HydrophobicContact CB-CG2 4.16Å; N1112-I1115 HydrophobicContact CB-CD1 4.23Å; N1112-I1115 HydrophobicContact CB-CG1 4.25Å; N1112-I1115 WeakPolarHBondContact O-CG1 3.49Å; N1112-I1115 PolarHBondContact O-N 3.4Å; N1112-I1115 VanDerWaalsContact O-N 3.12Å; R1113-I1115 PolarHBondContact O-N 3.2Å; I1115-V1121 HydrophobicContact CG2-CG2 3.54Å; I1115-Y1181 HydrophobicContact CD1-CE2 4.21Å; I1115-I1183 HydrophobicContact CB-CD1 4.29Å; I1115-I1183 HydrophobicContact CD1-CD1 4.05Å; I1115-I1183 HydrophobicContact CG1-CD1 3.68Å; I1115-I1183 HydrophobicContact CG2-CD1 4.15Å
1116K73.6Confident80.6Confident202 Ų20268 Ų6888%0.87832%0.317SS*.  trans-87.2-28.8-178.8-65.5-174178.1-177.90114.1L1114L1114-K1116 PolarHBondContact O-N 3.43Å
1117D76.9Confident80.8Confident72 Ų7267.3 Ų67.339%0.38532%0.32SS..  trans-122.2110.9-177.8-174.9-8.9000109.8S1119 R1120D1117-S1119 VanDerWaalsContact C-N 3.28Å; D1117-S1119 VanDerWaalsContact CG-OG 3.29Å; D1117-S1119 PolarHBondContact O-N 3.15Å; D1117-S1119 WeakPolarHBondContact OD1-CB 3.48Å; D1117-S1119 PolarHBondContact OD1-N 2.99Å; D1117-S1119 PolarHBondContact OD1-OG 3.12Å; D1117-S1119 PolarHBondContact OD2-OG 3.17Å; D1117-R1120 HydrophobicContact CB-CB 4.47Å; D1117-R1120 HydrophobicContact CB-CG 4.14Å; D1117-R1120 VanDerWaalsContact OD2-CD 3.23Å; D1117-R1120 WeakPolarHBondContact OD2-CD 3.41Å; D1117-R1120 WeakPolarHBondContact OD2-CG 3.39Å
1118L79.9Confident80.8Confident77 Ų7769.6 Ų69.640%0.40333%0.333SS..G310 helixtrans-69.8-26.7-177.8-60.4170000112V1105 R1106 A1109 R1120 V1121V1105-L1118 HydrophobicContact CG1-CB 4.13Å; V1105-L1118 HydrophobicContact CG1-CD2 3.91Å; R1106-L1118 HydrophobicContact CG-CD1 4Å; A1109-L1118 HydrophobicContact CB-CD2 3.31Å; L1118-R1120 PolarHBondContact O-N 2.94Å; L1118-V1121 PolarHBondContact O-N 3.44Å
1119S76.3Confident80.6Confident102 Ų10271 Ų7171%0.71334%0.343SS*.G310 helixtrans-69.6-25.6-177.472.10000112.5D1117 V1121D1117-S1119 VanDerWaalsContact C-N 3.28Å; D1117-S1119 VanDerWaalsContact CG-OG 3.29Å; D1117-S1119 PolarHBondContact O-N 3.15Å; D1117-S1119 WeakPolarHBondContact OD1-CB 3.48Å; D1117-S1119 PolarHBondContact OD1-N 2.99Å; D1117-S1119 PolarHBondContact OD1-OG 3.12Å; D1117-S1119 PolarHBondContact OD2-OG 3.17Å; S1119-V1121 VanDerWaalsContact C-N 3.29Å; S1119-V1121 PolarHBondContact O-N 3.28Å
1120R82.8Confident80.5Confident126 Ų12674.3 Ų74.348%0.47536%0.36SS..G310 helixtrans-81.6-5.3179.6-65.7-179.170.6-179.7-2.2113.5D1117 L1118 I1183 Q1184D1117-R1120 HydrophobicContact CB-CB 4.47Å; D1117-R1120 HydrophobicContact CB-CG 4.14Å; D1117-R1120 VanDerWaalsContact OD2-CD 3.23Å; D1117-R1120 WeakPolarHBondContact OD2-CD 3.41Å; D1117-R1120 WeakPolarHBondContact OD2-CG 3.39Å; L1118-R1120 PolarHBondContact O-N 2.94Å; R1120-I1183 HydrophobicContact CB-CG2 4.2Å; R1120-I1183 WeakPolarHBondContact O-CA 3.37Å; R1120-Q1184 WeakPolarHBondContact CB-O 3.39Å; R1120-Q1184 PolarHBondContact NE-O 3.3Å; R1120-Q1184 PolarHBondContact NH2-O 3.26Å; R1120-Q1184 PolarHBondContact NH2-OXT 3.06Å; R1120-Q1184 PolarHBondContact O-N 2.94Å
1121V85.6Confident80.5Confident5 Ų573.6 Ų73.63%0.0336%0.361CS..EExtended strand (participates in β ladder)trans-86.9114.5-178.2-174.70000110.7V1105 L1108 I1115 L1118 S1119 L1182V1105-V1121 HydrophobicContact CG1-CB 3.74Å; V1105-V1121 HydrophobicContact CG1-CG1 4.02Å; V1105-V1121 HydrophobicContact CG1-CG2 4.01Å; V1105-V1121 HydrophobicContact CG2-CB 4.25Å; V1105-V1121 HydrophobicContact CG2-CG1 3.88Å; L1108-V1121 HydrophobicContact CD2-CG1 4.24Å; I1115-V1121 HydrophobicContact CG2-CG2 3.54Å; L1118-V1121 PolarHBondContact O-N 3.44Å; S1119-V1121 VanDerWaalsContact C-N 3.29Å; S1119-V1121 PolarHBondContact O-N 3.28Å; V1121-L1182 WeakPolarHBondContact CA-O 3.46Å
1122K87.1Confident80.6Confident44 Ų4470.1 Ų70.119%0.19134%0.342CS..EExtended strand (participates in β ladder)trans-99.2113.1173.6-169.7174.7174.6-175.40109.6M1124 E1143 Y1181 L1182K1122-M1124 HydrophobicContact CD-SD 4.32Å; K1122-M1124 HydrophobicContact CG-CG 4.15Å; K1122-M1124 HydrophobicContact CG-SD 4.42Å; K1122-E1143 IonicContact NZ-OE1 4Å; K1122-E1143 PolarHBondContact NZ-OE1 3.34Å; K1122-E1143 IonicContact NZ-OE2 3.71Å; K1122-E1143 PolarHBondContact NZ-OE2 3.29Å; K1122-Y1181 WeakPolarHBondContact O-CA 3.18Å; K1122-L1182 HydrophobicContact CB-CB 4.45Å; K1122-L1182 PolarHBondContact N-O 3.47Å; K1122-L1182 PolarHBondContact O-N 3.03Å
1123L88.7Confident80.8Confident1 Ų170.9 Ų70.91%0.00535%0.349CS..EExtended strand (participates in β ladder)trans-93.5130.8176-165.670.5000109.9L1079 K1101 I1104 I1149 F1155L1079-L1123 HydrophobicContact CD2-CD1 3.96Å; K1101-L1123 HydrophobicContact CG-CB 4.21Å; K1101-L1123 HydrophobicContact CG-CD2 4.29Å; I1104-L1123 HydrophobicContact CB-CD2 4.2Å; I1104-L1123 HydrophobicContact CD1-CD2 4.22Å; I1104-L1123 HydrophobicContact CG2-CD1 4.46Å; I1104-L1123 HydrophobicContact CG2-CD2 3.97Å; L1123-I1149 HydrophobicContact CD2-CD1 4.15Å; L1123-I1149 HydrophobicContact CG-CD1 4.16Å; L1123-I1149 PolarHBondContact O-N 2.76Å; L1123-F1155 HydrophobicContact CD2-CZ 4.17Å
1124M88.3Confident81.1Confident1 Ų169.9 Ų69.91%0.00535%0.345CS..EExtended strand (participates in β ladder)trans-136.2153.9-174.3-50.5-164.9-58.400111.4K1122 E1143 K1146 L1147 V1180 L1182K1122-M1124 HydrophobicContact CD-SD 4.32Å; K1122-M1124 HydrophobicContact CG-CG 4.15Å; K1122-M1124 HydrophobicContact CG-SD 4.42Å; M1124-E1143 HydrophobicContact CE-CG 4.33Å; M1124-E1143 HydrophobicContact SD-CG 4.34Å; M1124-K1146 HydrophobicContact CB-CB 4.43Å; M1124-K1146 HydrophobicContact CE-CB 4.11Å; M1124-K1146 HydrophobicContact CE-CD 3.77Å; M1124-L1147 CarbonylContact C-O 3.52Å; M1124-L1147 VanDerWaalsContact CA-O 3.31Å; M1124-L1147 WeakPolarHBondContact CA-O 3.26Å; M1124-L1147 WeakPolarHBondContact CB-O 3.47Å; M1124-V1180 HydrophobicContact CB-CB 4.35Å; M1124-V1180 HydrophobicContact CE-CG1 3.92Å; M1124-V1180 PolarHBondContact N-O 3.37Å; M1124-V1180 PolarHBondContact O-N 3.06Å; M1124-L1182 HydrophobicContact CE-CD1 3.35Å; M1124-L1182 HydrophobicContact CE-CG 3.87Å; M1124-L1182 HydrophobicContact SD-CD1 4.06Å
1125R88.3Confident81.1Confident43 Ų4373 Ų7316%0.16235%0.348CS..EExtended strand (participates in β ladder)trans-114.1159.5171.666174.7-175.192.3-6.7110.8K1146 L1147 I1149 I1175 L1179R1125-K1146 CarbonylContact O-C 3.48Å; R1125-K1146 WeakPolarHBondContact O-CA 3.32Å; R1125-K1146 WeakPolarHBondContact O-CB 3.47Å; R1125-L1147 HydrophobicContact CG-CB 4.28Å; R1125-L1147 PolarHBondContact N-O 2.91Å; R1125-L1147 PolarHBondContact O-N 3.4Å; R1125-I1149 HydrophobicContact CB-CD1 4.3Å; R1125-I1149 HydrophobicContact CB-CG1 4.41Å; R1125-I1149 HydrophobicContact CG-CG1 4.45Å; R1125-I1175 HydrophobicContact CB-CG2 4.45Å; R1125-L1179 HydrophobicContact CB-CD2 4.08Å
1126Y86.3Confident80.8Confident27 Ų2778.7 Ų78.711%0.10638%0.383CS..EExtended strand (participates in β ladder)trans-72.7148170.1-69.5-87.1000111D1128 G1132 P1133 K1146 T1178 V1180Y1126-D1128 VanDerWaalsContact C-N 3.35Å; Y1126-D1128 WeakPolarHBondContact CB-O 3.39Å; Y1126-G1132 VanDerWaalsContact CD1-C 3.47Å; Y1126-G1132 WeakPolarHBondContact CE1-O 3.34Å; Y1126-P1133 HydrophobicContact CD2-CG 3.71Å; Y1126-P1133 HydrophobicContact CE2-CB 4.2Å; Y1126-P1133 HydrophobicContact CE2-CG 3.82Å; Y1126-P1133 HydrophobicContact CG-CG 4.23Å; Y1126-K1146 HydrophobicContact CD1-CG 4.01Å; Y1126-K1146 HydrophobicContact CE1-CD 4.45Å; Y1126-K1146 HydrophobicContact CE1-CG 4.21Å; Y1126-T1178 HydrophobicContact CE2-CG2 4.04Å; Y1126-V1180 HydrophobicContact CD2-CG2 4.38Å; Y1126-V1180 HydrophobicContact CE1-CG2 4.49Å; Y1126-V1180 HydrophobicContact CE2-CG2 3.57Å
1127E83.3Confident80.6Confident118 Ų11873.3 Ų73.355%0.55137%0.369SS*.SBendtrans-63.7-42.8170.7-75.9173.4-173.100111.2G1145 L1147E1127-G1145 PolarHBondContact N-O 3.47Å; E1127-L1147 HydrophobicContact CG-CD1 3.95Å; E1127-L1147 HydrophobicContact CG-CD2 4.46Å; E1127-L1147 HydrophobicContact CG-CG 3.77Å
1128D81.3Confident80.5Confident63 Ų6374.4 Ų74.434%0.33737%0.374SS..SBendtrans-108.3109.4170.7-176.6-33.1000109.2Y1126 V1130 L1131 G1132Y1126-D1128 VanDerWaalsContact C-N 3.35Å; Y1126-D1128 WeakPolarHBondContact CB-O 3.39Å; D1128-V1130 PolarHBondContact O-N 3.23Å; D1128-V1130 PolarHBondContact OD1-N 2.85Å; D1128-L1131 PolarHBondContact OD1-N 3.26Å; D1128-G1132 VanDerWaalsContact O-CA 3.25Å; D1128-G1132 WeakPolarHBondContact O-CA 3.31Å; D1128-G1132 PolarHBondContact O-N 3.15Å
1129P78.8Confident80.1Confident32 Ų3277.8 Ų77.821%0.20839%0.391CS..THydrogen-bonded Turntrans-69.6-15.8-17526.9-33.7000114.2
1130V77.2Confident80Confident87 Ų8775.7 Ų75.753%0.52739%0.386SS..THydrogen-bonded Turntrans-102.3-48.3-176.6-178.30000111.6D1128 R1134D1128-V1130 PolarHBondContact O-N 3.23Å; D1128-V1130 PolarHBondContact OD1-N 2.85Å; V1130-R1134 PolarHBondContact O-NE 3.13Å
1131L77.2Confident80Confident89 Ų8974.3 Ų74.347%0.46639%0.385SS..THydrogen-bonded Turntrans-89-26.5-178.6-67.2172.8000112.8D1128 R1134 R1135D1128-L1131 PolarHBondContact OD1-N 3.26Å; L1131-R1134 PolarHBondContact O-N 3.08Å; L1131-R1134 VanDerWaalsContact O-N 3.14Å; L1131-R1135 PolarHBondContact O-N 3.16Å
1132G79.7Confident79.7Confident10 Ų1076.1 Ų76.110%0.10339%0.393CS..G310 helixtrans-56.7-54.3-178.100000113.8Y1126 D1128 R1134 R1135Y1126-G1132 VanDerWaalsContact CD1-C 3.47Å; Y1126-G1132 WeakPolarHBondContact CE1-O 3.34Å; D1128-G1132 VanDerWaalsContact O-CA 3.25Å; D1128-G1132 WeakPolarHBondContact O-CA 3.31Å; D1128-G1132 PolarHBondContact O-N 3.15Å; G1132-R1134 PolarHBondContact O-N 2.67Å; G1132-R1134 VanDerWaalsContact O-N 3.11Å; G1132-R1135 PolarHBondContact O-N 3.31Å; G1132-R1135 VanDerWaalsContact O-N 3.15Å
1133P79.2Confident79.5Confident41 Ų4178.2 Ų78.227%0.26640%0.404SS..G310 helixtrans-60.5-20177-23.232.5000114.3Y1126 T1178Y1126-P1133 HydrophobicContact CD2-CG 3.71Å; Y1126-P1133 HydrophobicContact CE2-CB 4.2Å; Y1126-P1133 HydrophobicContact CE2-CG 3.82Å; Y1126-P1133 HydrophobicContact CG-CG 4.23Å; P1133-T1178 HydrophobicContact CB-CG2 4.43Å
1134R79.4Confident79.1Confident198 Ų19884.7 Ų84.775%0.74743%0.432SS*.G310 helixtrans-91.2-5.4-178.4-57.8-179.1-174.8-169.70.7113.4V1130 L1131 G1132V1130-R1134 PolarHBondContact O-NE 3.13Å; L1131-R1134 PolarHBondContact O-N 3.08Å; L1131-R1134 VanDerWaalsContact O-N 3.14Å; G1132-R1134 PolarHBondContact O-N 2.67Å; G1132-R1134 VanDerWaalsContact O-N 3.11Å
1135R75.9Confident78.7Confident183 Ų18386.1 Ų86.169%0.69145%0.446SS*.SBendtrans-87.7137.7176.3-71.7-180-178.7-171.32.3110.7L1131 G1132L1131-R1135 PolarHBondContact O-N 3.16Å; G1132-R1135 PolarHBondContact O-N 3.31Å; G1132-R1135 VanDerWaalsContact O-N 3.15Å
1136V71.1Confident78.6Confident132 Ų13285 Ų8580%0.844%0.443SS*.PPolyproline II helixtrans-64.8126.6177.3-1770000109.5
1137P70.2Confident78.6Confident88 Ų8886.9 Ų86.957%0.57146%0.455SS*.PPolyproline II helixtrans-62.4137.9176.3-19.731.1000111.7
1138I74.6Confident78.7Confident95 Ų9585 Ų8549%0.48745%0.453SS..PPolyproline II helixtrans-92122.8173.6-57.7173.1000108G1140 Q1141I1138-G1140 PolarHBondContact O-N 3.29Å; I1138-Q1141 HydrophobicContact CB-CB 4.36Å; I1138-Q1141 HydrophobicContact CG2-CB 4.38Å; I1138-Q1141 PolarHBondContact O-N 2.88Å; I1138-Q1141 VanDerWaalsContact O-N 3.14Å
1139L71.6Confident79Confident148 Ų14882.3 Ų82.378%0.77544%0.438SS*.THydrogen-bonded Turntrans-58.6128.2-180-156.795.7000110.7P1084 Q1141P1084-L1139 HydrophobicContact CB-CD1 3.94Å; P1084-L1139 HydrophobicContact CG-CD1 4.15Å; P1084-L1139 HydrophobicContact CG-CG 4.42Å; L1139-Q1141 VanDerWaalsContact C-N 3.31Å; L1139-Q1141 PolarHBondContact O-N 2.93Å
1140G74.4Confident79.1Confident59 Ų5983 Ų8361%0.60844%0.443SS*.THydrogen-bonded Turntrans80.23.4-178.500000115.4I1138 E1142I1138-G1140 PolarHBondContact O-N 3.29Å; G1140-E1142 VanDerWaalsContact C-OE2 3.27Å; G1140-E1142 WeakPolarHBondContact CA-OE1 3.18Å; G1140-E1142 WeakPolarHBondContact CA-OE2 3.18Å; G1140-E1142 PolarHBondContact N-OE1 2.83Å
1141Q80.9Confident79Confident96 Ų9682.6 Ų82.645%0.44945%0.445SS..  trans-128.250.7172.7-65.3-173.6200110.5I1138 L1139 E1143 K1144I1138-Q1141 HydrophobicContact CB-CB 4.36Å; I1138-Q1141 HydrophobicContact CG2-CB 4.38Å; I1138-Q1141 PolarHBondContact O-N 2.88Å; I1138-Q1141 VanDerWaalsContact O-N 3.14Å; L1139-Q1141 VanDerWaalsContact C-N 3.31Å; L1139-Q1141 PolarHBondContact O-N 2.93Å; Q1141-E1143 PolarHBondContact O-N 3.1Å; Q1141-E1143 VanDerWaalsContact O-N 3.14Å; Q1141-K1144 HydrophobicContact CB-CB 4.21Å; Q1141-K1144 HydrophobicContact CB-CD 4.47Å; Q1141-K1144 WeakPolarHBondContact O-CB 3.5Å; Q1141-K1144 PolarHBondContact O-N 2.82Å; Q1141-K1144 VanDerWaalsContact O-N 3.16Å; Q1141-K1144 VanDerWaalsContact OE1-NZ 3.14Å
1142E80.4Confident79.1Confident43 Ų4386 Ų8620%0.20146%0.456CS..THydrogen-bonded Turntrans-64.4-20.6-171.8-65.574.4-164.700113.3P1082 Q1083 P1084 G1140 K1146 L1182P1082-E1142 HydrophobicContact CG-CB 4.39Å; Q1083-E1142 HydrophobicContact CG-CG 4.47Å; P1084-E1142 WeakPolarHBondContact CD-OE1 3.49Å; G1140-E1142 VanDerWaalsContact C-OE2 3.27Å; G1140-E1142 WeakPolarHBondContact CA-OE1 3.18Å; G1140-E1142 WeakPolarHBondContact CA-OE2 3.18Å; G1140-E1142 PolarHBondContact N-OE1 2.83Å; E1142-K1146 WeakPolarHBondContact O-CD 3.49Å; E1142-K1146 WeakPolarHBondContact O-CE 3.24Å; E1142-K1146 PolarHBondContact O-NZ 2.92Å; E1142-L1182 HydrophobicContact CB-CD2 4.33Å
1143E82.1Confident79.2Confident88 Ų8885.6 Ų85.641%0.41145%0.451SS..THydrogen-bonded Turntrans-92.3-10.4179.5-55.7-161.7170.300114K1122 M1124 Q1141 G1145 K1146 L1182K1122-E1143 IonicContact NZ-OE1 4Å; K1122-E1143 PolarHBondContact NZ-OE1 3.34Å; K1122-E1143 IonicContact NZ-OE2 3.71Å; K1122-E1143 PolarHBondContact NZ-OE2 3.29Å; M1124-E1143 HydrophobicContact CE-CG 4.33Å; M1124-E1143 HydrophobicContact SD-CG 4.34Å; Q1141-E1143 PolarHBondContact O-N 3.1Å; Q1141-E1143 VanDerWaalsContact O-N 3.14Å; E1143-G1145 PolarHBondContact O-N 2.85Å; E1143-K1146 PolarHBondContact O-N 3.23Å; E1143-L1182 HydrophobicContact CG-CD1 4.11Å
1144K80.3Confident79.5Confident138 Ų13886.5 Ų86.560%0.646%0.456SS*.THydrogen-bonded Turntrans-67.5127.2-173.3-171.2172.8-177.9179.90112.2Q1141 K1146Q1141-K1144 HydrophobicContact CB-CB 4.21Å; Q1141-K1144 HydrophobicContact CB-CD 4.47Å; Q1141-K1144 WeakPolarHBondContact O-CB 3.5Å; Q1141-K1144 PolarHBondContact O-N 2.82Å; Q1141-K1144 VanDerWaalsContact O-N 3.16Å; Q1141-K1144 VanDerWaalsContact OE1-NZ 3.14Å; K1144-K1146 VanDerWaalsContact C-N 3.34Å
1145G79.5Confident79.8Confident30 Ų3077 Ų7731%0.30942%0.42SS..THydrogen-bonded Turntrans75.619.6-178.300000114.2E1127 E1143E1127-G1145 PolarHBondContact N-O 3.47Å; E1143-G1145 PolarHBondContact O-N 2.85Å
1146K86.8Confident80.1Confident20 Ų2070.4 Ų70.49%0.08740%0.398CS..EExtended strand (participates in β ladder)trans-131.2143.6-179.1-59.3167.9-165.5168.10109.9M1124 R1125 Y1126 E1142 E1143 K1144 V1180M1124-K1146 HydrophobicContact CB-CB 4.43Å; M1124-K1146 HydrophobicContact CE-CB 4.11Å; M1124-K1146 HydrophobicContact CE-CD 3.77Å; R1125-K1146 CarbonylContact O-C 3.48Å; R1125-K1146 WeakPolarHBondContact O-CA 3.32Å; R1125-K1146 WeakPolarHBondContact O-CB 3.47Å; Y1126-K1146 HydrophobicContact CD1-CG 4.01Å; Y1126-K1146 HydrophobicContact CE1-CD 4.45Å; Y1126-K1146 HydrophobicContact CE1-CG 4.21Å; E1142-K1146 WeakPolarHBondContact O-CD 3.49Å; E1142-K1146 WeakPolarHBondContact O-CE 3.24Å; E1142-K1146 PolarHBondContact O-NZ 2.92Å; E1143-K1146 PolarHBondContact O-N 3.23Å; K1144-K1146 VanDerWaalsContact C-N 3.34Å; K1146-V1180 HydrophobicContact CD-CB 4.31Å; K1146-V1180 HydrophobicContact CD-CG1 4.18Å; K1146-V1180 HydrophobicContact CD-CG2 4.03Å
1147L86.1Confident80.8Confident67 Ų6765.2 Ų65.235%0.35137%0.366SS..EExtended strand (participates in β ladder)trans-112.9134.3177.8-67.6169.5000110.3M1124 R1125 E1127M1124-L1147 CarbonylContact C-O 3.52Å; M1124-L1147 VanDerWaalsContact CA-O 3.31Å; M1124-L1147 WeakPolarHBondContact CA-O 3.26Å; M1124-L1147 WeakPolarHBondContact CB-O 3.47Å; R1125-L1147 HydrophobicContact CG-CB 4.28Å; R1125-L1147 PolarHBondContact N-O 2.91Å; R1125-L1147 PolarHBondContact O-N 3.4Å; E1127-L1147 HydrophobicContact CG-CD1 3.95Å; E1127-L1147 HydrophobicContact CG-CD2 4.46Å; E1127-L1147 HydrophobicContact CG-CG 3.77Å
1148P86.6Confident81.4Confident79 Ų7964 Ų6451%0.51335%0.354SS..EExtended strand (participates in β ladder)trans-67.3143.4175.328.9-33.8000111
1149I86.7Confident81.6Confident5 Ų563.4 Ų63.43%0.02635%0.352CS..PPolyproline II helixtrans-85.9127174.8-60.3-177.3000108.6L1123 R1125 F1155 L1166 L1179L1123-I1149 HydrophobicContact CD2-CD1 4.15Å; L1123-I1149 HydrophobicContact CG-CD1 4.16Å; L1123-I1149 PolarHBondContact O-N 2.76Å; R1125-I1149 HydrophobicContact CB-CD1 4.3Å; R1125-I1149 HydrophobicContact CB-CG1 4.41Å; R1125-I1149 HydrophobicContact CG-CG1 4.45Å; I1149-F1155 HydrophobicContact CD1-CE1 4.16Å; I1149-F1155 HydrophobicContact CD1-CZ 3.61Å; I1149-F1155 HydrophobicContact CG2-CE2 4.17Å; I1149-F1155 HydrophobicContact CG2-CZ 4.12Å; I1149-L1166 HydrophobicContact CG1-CD2 4.31Å; I1149-L1166 HydrophobicContact CG2-CD1 4.19Å; I1149-L1166 HydrophobicContact CG2-CD2 4.1Å; I1149-L1179 HydrophobicContact CD1-CD2 3.71Å
1150S80.8Confident81.8Confident46 Ų4664 Ų6432%0.32236%0.356SS..PPolyproline II helixtrans-70.7152.4179.1174.90000110.9K1152 S1153S1150-K1152 PolarHBondContact O-N 3.2Å; S1150-K1152 PolarHBondContact OG-N 3.46Å; S1150-S1153 WeakPolarHBondContact CB-OG 3.31Å; S1150-S1153 PolarHBondContact O-N 3.08Å; S1150-S1153 PolarHBondContact O-OG 2.89Å
1151S76.4Confident82Confident80 Ų8066.6 Ų66.656%0.55935%0.352SS*.THydrogen-bonded Turntrans-67.6-17.9173.653.20000113.3
1152K78.6Confident82Confident161 Ų16170 Ų7070%0.737%0.366SS*.THydrogen-bonded Turntrans-88-6.8177.3-62.6-176.3-179.8-179.90113.3S1150S1150-K1152 PolarHBondContact O-N 3.2Å; S1150-K1152 PolarHBondContact OG-N 3.46Å
1153S82.3Confident82.1Confident1 Ų172.3 Ų72.31%0.00738%0.375CS..  trans-77.8141.1-177.2-49.20000111.7S1150 A1167 D1168S1150-S1153 WeakPolarHBondContact CB-OG 3.31Å; S1150-S1153 PolarHBondContact O-N 3.08Å; S1150-S1153 PolarHBondContact O-OG 2.89Å; S1153-A1167 WeakPolarHBondContact CA-O 3.39Å; S1153-D1168 PolarHBondContact OG-OD1 2.94Å
1154V85.2Confident82.2Confident59 Ų5968.2 Ų68.236%0.35836%0.356SS..EExtended strand (participates in β ladder)trans-118.1131.1178.4-177.70000109.2A1167V1154-A1167 PolarHBondContact N-O 2.78Å; V1154-A1167 VanDerWaalsContact N-O 3.09Å; V1154-A1167 PolarHBondContact O-N 3.48Å
1155F85.3Confident82.5Confident0 Ų063.4 Ų63.40%034%0.338CS..EExtended strand (participates in β ladder)trans-86.3131.9177.1-66.9-107.1000109.8I1095 G1098 D1099 I1104 L1123 I1149 V1164 T1165 L1166 I1175 L1179I1095-F1155 HydrophobicContact CG2-CB 3.76Å; I1095-F1155 HydrophobicContact CG2-CD1 3.97Å; I1095-F1155 HydrophobicContact CG2-CG 4.09Å; G1098-F1155 WeakPolarHBondContact CA-O 3.48Å; G1098-F1155 PolarHBondContact N-O 2.85Å; D1099-F1155 HydrophobicContact CB-CB 4.03Å; D1099-F1155 HydrophobicContact CB-CD2 4.41Å; D1099-F1155 HydrophobicContact CB-CG 4.48Å; D1099-F1155 VanDerWaalsContact O-CD2 3.3Å; D1099-F1155 WeakPolarHBondContact O-CD2 3.33Å; D1099-F1155 PolarHBondContact O-N 3.34Å; I1104-F1155 HydrophobicContact CD1-CD1 4.03Å; I1104-F1155 HydrophobicContact CD1-CD2 3.58Å; I1104-F1155 HydrophobicContact CD1-CE1 3.73Å; I1104-F1155 HydrophobicContact CD1-CE2 3.26Å; I1104-F1155 HydrophobicContact CD1-CG 3.96Å; I1104-F1155 HydrophobicContact CD1-CZ 3.31Å; L1123-F1155 HydrophobicContact CD2-CZ 4.17Å; I1149-F1155 HydrophobicContact CD1-CE1 4.16Å; I1149-F1155 HydrophobicContact CD1-CZ 3.61Å; I1149-F1155 HydrophobicContact CG2-CE2 4.17Å; I1149-F1155 HydrophobicContact CG2-CZ 4.12Å; F1155-V1164 HydrophobicContact CB-CG1 4.46Å; F1155-V1164 HydrophobicContact CD1-CG1 3.91Å; F1155-T1165 CarbonylContact C-O 3.25Å; F1155-T1165 WeakPolarHBondContact CA-O 3.03Å; F1155-L1166 HydrophobicContact CD1-CD1 3.9Å; F1155-L1166 HydrophobicContact CD2-CD1 3.68Å; F1155-L1166 HydrophobicContact CE1-CD1 3.86Å; F1155-L1166 HydrophobicContact CE2-CD1 3.63Å; F1155-L1166 HydrophobicContact CG-CD1 3.84Å; F1155-L1166 HydrophobicContact CZ-CD1 3.74Å; F1155-I1175 HydrophobicContact CD1-CD1 3.69Å; F1155-I1175 HydrophobicContact CE1-CD1 3.49Å; F1155-I1175 VanDerWaalsContact CE1-CD1 3.49Å; F1155-L1179 HydrophobicContact CE1-CD1 3.99Å; F1155-L1179 HydrophobicContact CZ-CD1 4.43Å
1156N83.2Confident82.8Confident43 Ų4362.3 Ų62.323%0.2333%0.325CS..EExtended strand (participates in β ladder)trans-117.8138175-64.3-45.6000109.1Q1097 V1164 T1165Q1097-N1156 PolarHBondContact NE2-OD1 3.17Å; Q1097-N1156 VanDerWaalsContact OE1-CA 3.3Å; N1156-V1164 WeakPolarHBondContact O-CA 3.4Å; N1156-T1165 WeakPolarHBondContact CB-OG1 3.3Å; N1156-T1165 PolarHBondContact N-O 3.33Å; N1156-T1165 PolarHBondContact O-N 2.99Å; N1156-T1165 PolarHBondContact O-OG1 3.31Å
1157I85.8Confident82.6Confident24 Ų2462.6 Ų62.612%0.12333%0.332CS..EExtended strand (participates in β ladder)trans-116143.9-178.463.6168.6000111V1075 I1095 Q1097 L1159 K1163 V1164V1075-I1157 HydrophobicContact CB-CG2 4.47Å; V1075-I1157 HydrophobicContact CG2-CB 3.99Å; V1075-I1157 HydrophobicContact CG2-CD1 4.41Å; V1075-I1157 HydrophobicContact CG2-CG2 4.3Å; I1095-I1157 HydrophobicContact CB-CG2 4.48Å; I1095-I1157 HydrophobicContact CG2-CG2 4.11Å; Q1097-I1157 HydrophobicContact CB-CD1 4.35Å; Q1097-I1157 HydrophobicContact CB-CG1 3.9Å; Q1097-I1157 PolarHBondContact OE1-O 2.92Å; I1157-L1159 HydrophobicContact CD1-CD2 3.73Å; I1157-L1159 HydrophobicContact CD1-CG 4.1Å; I1157-K1163 WeakPolarHBondContact CA-O 3.34Å; I1157-V1164 HydrophobicContact CG2-CG1 4.26Å; I1157-V1164 HydrophobicContact CG2-CG2 4.09Å
1158N81.3Confident82.1Confident61 Ų6162 Ų6233%0.32633%0.329SS..EExtended strand (participates in β ladder)trans-110.6110.2164.8-176.5-29.9000107.7D1160 E1161 K1162 K1163N1158-D1160 PolarHBondContact OD1-N 2.85Å; N1158-E1161 HydrophobicContact CB-CB 4.38Å; N1158-E1161 PolarHBondContact OD1-N 3.45Å; N1158-E1161 VanDerWaalsContact OD1-N 3.09Å; N1158-K1162 VanDerWaalsContact O-CA 3.27Å; N1158-K1162 WeakPolarHBondContact O-CA 3.29Å; N1158-K1162 PolarHBondContact O-N 3.08Å; N1158-K1163 PolarHBondContact N-O 3.21Å; N1158-K1163 PolarHBondContact O-N 2.66Å; N1158-K1163 VanDerWaalsContact O-N 3.15Å
1159L78.9Confident81Confident84 Ų8465.3 Ų65.344%0.4434%0.342SS..THydrogen-bonded Turntrans-70.5-32.2-175.9-70.2169.9000112.7P1073 V1075 I1157P1073-L1159 HydrophobicContact CB-CD1 3.92Å; P1073-L1159 HydrophobicContact CB-CD2 3.95Å; P1073-L1159 HydrophobicContact CG-CD1 3.74Å; V1075-L1159 HydrophobicContact CG2-CD2 4.26Å; I1157-L1159 HydrophobicContact CD1-CD2 3.73Å; I1157-L1159 HydrophobicContact CD1-CG 4.1Å
1160D77Confident79.9Confident161 Ų16168.9 Ų68.986%0.86138%0.38SS*.THydrogen-bonded Turntrans-72.9-41.7-179.4-64-33.2000110.9N1158N1158-D1160 PolarHBondContact OD1-N 2.85Å
1161E78.4Confident79.6Confident112 Ų11272.9 Ų72.952%0.52340%0.397SS..THydrogen-bonded Turntrans-89.6-7.6179-63.8-171.5-168.800113.9N1158 K1163N1158-E1161 HydrophobicContact CB-CB 4.38Å; N1158-E1161 PolarHBondContact OD1-N 3.45Å; N1158-E1161 VanDerWaalsContact OD1-N 3.09Å; E1161-K1163 HydrophobicContact CB-CB 4.45Å; E1161-K1163 HydrophobicContact CB-CD 4.24Å; E1161-K1163 HydrophobicContact CB-CG 4.07Å; E1161-K1163 PolarHBondContact O-N 3.22Å; E1161-K1163 WeakPolarHBondContact OE2-CD 3.2Å; E1161-K1163 WeakPolarHBondContact OE2-CE 3.32Å; E1161-K1163 IonicContact OE2-NZ 3.61Å; E1161-K1163 PolarHBondContact OE2-NZ 2.75Å
1162K80.4Confident79.8Confident169 Ų16973.6 Ų73.674%0.73540%0.399SS*.THydrogen-bonded Turntrans50.740.3-171-60-178-179.5177.90113.2V1075 N1158V1075-K1162 HydrophobicContact CG1-CB 4.26Å; V1075-K1162 WeakPolarHBondContact CG1-O 3.46Å; N1158-K1162 VanDerWaalsContact O-CA 3.27Å; N1158-K1162 WeakPolarHBondContact O-CA 3.29Å; N1158-K1162 PolarHBondContact O-N 3.08Å
1163K82.2Confident80Confident91 Ų9168.4 Ų68.440%0.39638%0.38SS..EExtended strand (participates in β ladder)trans-106.4148.1179-72.1-175.9-172.2156.10111.6I1157 N1158 E1161I1157-K1163 WeakPolarHBondContact CA-O 3.34Å; N1158-K1163 PolarHBondContact N-O 3.21Å; N1158-K1163 PolarHBondContact O-N 2.66Å; N1158-K1163 VanDerWaalsContact O-N 3.15Å; E1161-K1163 HydrophobicContact CB-CB 4.45Å; E1161-K1163 HydrophobicContact CB-CD 4.24Å; E1161-K1163 HydrophobicContact CB-CG 4.07Å; E1161-K1163 PolarHBondContact O-N 3.22Å; E1161-K1163 WeakPolarHBondContact OE2-CD 3.2Å; E1161-K1163 WeakPolarHBondContact OE2-CE 3.32Å; E1161-K1163 IonicContact OE2-NZ 3.61Å; E1161-K1163 PolarHBondContact OE2-NZ 2.75Å
1164V84.5Confident80Confident1 Ų171.7 Ų71.71%0.00640%0.397CS..EExtended strand (participates in β ladder)trans-118.7129.7173-171.90000108.3V1075 M1077 I1095 F1155 N1156 I1157 I1175V1075-V1164 HydrophobicContact CB-CG2 3.86Å; V1075-V1164 HydrophobicContact CG1-CG2 3.8Å; M1077-V1164 HydrophobicContact CG-CG2 3.9Å; M1077-V1164 HydrophobicContact SD-CB 3.8Å; M1077-V1164 HydrophobicContact SD-CG1 3.92Å; M1077-V1164 HydrophobicContact SD-CG2 3.66Å; I1095-V1164 HydrophobicContact CB-CG1 4.32Å; I1095-V1164 HydrophobicContact CB-CG2 4.32Å; I1095-V1164 HydrophobicContact CG2-CG1 3.79Å; F1155-V1164 HydrophobicContact CB-CG1 4.46Å; F1155-V1164 HydrophobicContact CD1-CG1 3.91Å; N1156-V1164 WeakPolarHBondContact O-CA 3.4Å; I1157-V1164 HydrophobicContact CG2-CG1 4.26Å; I1157-V1164 HydrophobicContact CG2-CG2 4.09Å; V1164-I1175 HydrophobicContact CB-CD1 4.22Å; V1164-I1175 HydrophobicContact CB-CG1 4.11Å; V1164-I1175 HydrophobicContact CG1-CD1 3.74Å; V1164-I1175 HydrophobicContact CG1-CG1 4.11Å; V1164-I1175 VanDerWaalsContact O-CG1 3.31Å; V1164-I1175 WeakPolarHBondContact O-CG1 3.35Å; V1164-I1175 PolarHBondContact O-N 3.23Å
1165T86.1Confident80Confident37 Ų3769 Ų6923%0.22738%0.381CS..EExtended strand (participates in β ladder)trans-120.6148.9176.857.60000109.5F1155 N1156 T1172 V1173F1155-T1165 CarbonylContact C-O 3.25Å; F1155-T1165 WeakPolarHBondContact CA-O 3.03Å; N1156-T1165 WeakPolarHBondContact CB-OG1 3.3Å; N1156-T1165 PolarHBondContact N-O 3.33Å; N1156-T1165 PolarHBondContact O-N 2.99Å; N1156-T1165 PolarHBondContact O-OG1 3.31Å; T1165-T1172 HydrophobicContact CG2-CG2 4.21Å; T1165-V1173 CarbonylContact C-O 3.48Å; T1165-V1173 VanDerWaalsContact CA-O 3.29Å; T1165-V1173 WeakPolarHBondContact CA-O 3.35Å
1166L86.2Confident79.9Confident7 Ų770 Ų704%0.03739%0.391CS..EExtended strand (participates in β ladder)trans-111.3122.3178.7-170.374.5000108.6I1149 F1155 T1172 V1173 I1175I1149-L1166 HydrophobicContact CG1-CD2 4.31Å; I1149-L1166 HydrophobicContact CG2-CD1 4.19Å; I1149-L1166 HydrophobicContact CG2-CD2 4.1Å; F1155-L1166 HydrophobicContact CD1-CD1 3.9Å; F1155-L1166 HydrophobicContact CD2-CD1 3.68Å; F1155-L1166 HydrophobicContact CE1-CD1 3.86Å; F1155-L1166 HydrophobicContact CE2-CD1 3.63Å; F1155-L1166 HydrophobicContact CG-CD1 3.84Å; F1155-L1166 HydrophobicContact CZ-CD1 3.74Å; L1166-T1172 WeakPolarHBondContact O-CA 3.41Å; L1166-V1173 PolarHBondContact N-O 3.03Å; L1166-V1173 PolarHBondContact O-N 2.98Å; L1166-I1175 HydrophobicContact CB-CG2 3.67Å
1167A82.7Confident80Confident27 Ų2772.9 Ų72.922%0.22341%0.407CS..EExtended strand (participates in β ladder)trans-92.6119.3171.400000109.4S1153 V1154 L1171S1153-A1167 WeakPolarHBondContact CA-O 3.39Å; V1154-A1167 PolarHBondContact N-O 2.78Å; V1154-A1167 VanDerWaalsContact N-O 3.09Å; V1154-A1167 PolarHBondContact O-N 3.48Å; A1167-L1171 WeakPolarHBondContact CA-O 3.2Å
1168D75.1Confident80Confident55 Ų5572.4 Ų72.429%0.29441%0.405SS..EExtended strand (participates in β ladder)trans-136120.1176.7-16320.2000109.6S1153 G1170 L1171S1153-D1168 PolarHBondContact OG-OD1 2.94Å; D1168-G1170 PolarHBondContact O-N 3.48Å; D1168-G1170 VanDerWaalsContact O-N 3.15Å; D1168-L1171 PolarHBondContact N-O 3.37Å; D1168-L1171 PolarHBondContact O-N 3.05Å; D1168-L1171 VanDerWaalsContact O-N 3.08Å
1169N65.1Low80.4Confident147 Ų14769.5 Ų69.579%0.78639%0.39SS*.THydrogen-bonded Turntrans48.438.8-177.8-63.7-31.8000115.2
1170G63.5Low80.8Confident81 Ų8165.5 Ų65.584%0.83537%0.369SS*.THydrogen-bonded Turntrans85.5-1.417700000115.5D1168D1168-G1170 PolarHBondContact O-N 3.48Å; D1168-G1170 VanDerWaalsContact O-N 3.15Å
1171L74.1Confident81.4Confident130 Ų13057.9 Ų57.968%0.68133%0.328SS*.EExtended strand (participates in β ladder)trans-102.4132.9171.9-69.9165.7000110.2A1167 D1168A1167-L1171 WeakPolarHBondContact CA-O 3.2Å; D1168-L1171 PolarHBondContact N-O 3.37Å; D1168-L1171 PolarHBondContact O-N 3.05Å; D1168-L1171 VanDerWaalsContact O-N 3.08Å
1172T79.2Confident81.7Confident95 Ų9552.8 Ų52.858%0.58330%0.304SS*.EExtended strand (participates in β ladder)trans-102.5121.5177.9-53.10000109.5T1165 L1166T1165-T1172 HydrophobicContact CG2-CG2 4.21Å; L1166-T1172 WeakPolarHBondContact O-CA 3.41Å
1173V82.8Confident81.9Confident52 Ų5246.5 Ų46.532%0.31528%0.278SS..EExtended strand (participates in β ladder)trans-119.6131.3-177.1-177.40000110.2T1165 L1166T1165-V1173 CarbonylContact C-O 3.48Å; T1165-V1173 VanDerWaalsContact CA-O 3.29Å; T1165-V1173 WeakPolarHBondContact CA-O 3.35Å; L1166-V1173 PolarHBondContact N-O 3.03Å; L1166-V1173 PolarHBondContact O-N 2.98Å
1174D83.3Confident81.3Confident69 Ų6948.9 Ų48.937%0.36929%0.291SS..EExtended strand (participates in β ladder)trans-71.7128.3170.3-169.4-18.4000109.8G1176D1174-G1176 PolarHBondContact OD1-N 2.89Å
1175I84.1Confident81.1Confident2 Ų251.3 Ų51.31%0.0131%0.305CS..  trans-107.11.7-17661.3166.7000113.4M1077 R1125 F1155 V1164 L1166 L1179M1077-I1175 HydrophobicContact CE-CD1 3.98Å; M1077-I1175 HydrophobicContact CE-CG1 4.2Å; M1077-I1175 HydrophobicContact SD-CD1 4.05Å; R1125-I1175 HydrophobicContact CB-CG2 4.45Å; F1155-I1175 HydrophobicContact CD1-CD1 3.69Å; F1155-I1175 HydrophobicContact CE1-CD1 3.49Å; F1155-I1175 VanDerWaalsContact CE1-CD1 3.49Å; V1164-I1175 HydrophobicContact CB-CD1 4.22Å; V1164-I1175 HydrophobicContact CB-CG1 4.11Å; V1164-I1175 HydrophobicContact CG1-CD1 3.74Å; V1164-I1175 HydrophobicContact CG1-CG1 4.11Å; V1164-I1175 VanDerWaalsContact O-CG1 3.31Å; V1164-I1175 WeakPolarHBondContact O-CG1 3.35Å; V1164-I1175 PolarHBondContact O-N 3.23Å; L1166-I1175 HydrophobicContact CB-CG2 3.67Å; I1175-L1179 HydrophobicContact CD1-CD2 4.12Å
1176G84.3Confident80.9Confident21 Ų2152.1 Ų52.122%0.21631%0.309CS..  trans73.5-153.7-179.900000113.3M1077 D1174M1077-G1176 VanDerWaalsContact CE-O 3.29Å; M1077-G1176 WeakPolarHBondContact CE-O 3.2Å; D1174-G1176 PolarHBondContact OD1-N 2.89Å
1177D84.7Confident80.6Confident104 Ų10454.6 Ų54.656%0.55632%0.324SS*.SBendtrans-104.3-3.5-17767.1-2.7000114M1077 S1078M1077-D1177 WeakPolarHBondContact CA-O 3.41Å; S1078-D1177 PolarHBondContact N-O 3.38Å
1178T85.9Confident80.4Confident15 Ų1556.2 Ų56.29%0.09233%0.33CS..EExtended strand (participates in β ladder)trans-132.3126.6-170-54.80000112.4S1078 V1080 Y1126 P1133S1078-T1178 CarbonylContact O-C 3.59Å; S1078-T1178 VanDerWaalsContact O-CA 3.24Å; S1078-T1178 WeakPolarHBondContact O-CA 3.09Å; S1078-T1178 WeakPolarHBondContact O-CG2 3.43Å; V1080-T1178 HydrophobicContact CG2-CG2 3.76Å; Y1126-T1178 HydrophobicContact CE2-CG2 4.04Å; P1133-T1178 HydrophobicContact CB-CG2 4.43Å
1179L89.2Confident80.8Confident0 Ų056.3 Ų56.30%033%0.333CS..EExtended strand (participates in β ladder)trans-112.3158.5173.1-76.3173.9000110.8M1077 S1078 L1079 V1080 R1125 I1149 F1155 I1175M1077-L1179 HydrophobicContact CE-CD1 4.12Å; M1077-L1179 HydrophobicContact CE-CD2 4.48Å; M1077-L1179 HydrophobicContact CE-CG 3.7Å; M1077-L1179 HydrophobicContact SD-CD1 4.04Å; M1077-L1179 HydrophobicContact SD-CG 4.29Å; S1078-L1179 PolarHBondContact O-N 2.76Å; L1079-L1179 CarbonylContact C-O 3.59Å; L1079-L1179 WeakPolarHBondContact CA-O 3.48Å; L1079-L1179 HydrophobicContact CG-CB 4.04Å; V1080-L1179 PolarHBondContact N-O 2.91Å; R1125-L1179 HydrophobicContact CB-CD2 4.08Å; I1149-L1179 HydrophobicContact CD1-CD2 3.71Å; F1155-L1179 HydrophobicContact CE1-CD1 3.99Å; F1155-L1179 HydrophobicContact CZ-CD1 4.43Å; I1175-L1179 HydrophobicContact CD1-CD2 4.12Å
1180V87.2Confident81.8Confident0 Ų050.2 Ų50.20%030%0.302CS..EExtended strand (participates in β ladder)trans-115.6134.3177.3176.90000109.7V1080 P1082 M1124 Y1126 K1146 L1182V1080-V1180 VanDerWaalsContact O-CA 3.3Å; V1080-V1180 WeakPolarHBondContact O-CA 3.39Å; P1082-V1180 HydrophobicContact CG-CG1 3.94Å; M1124-V1180 HydrophobicContact CB-CB 4.35Å; M1124-V1180 HydrophobicContact CE-CG1 3.92Å; M1124-V1180 PolarHBondContact N-O 3.37Å; M1124-V1180 PolarHBondContact O-N 3.06Å; Y1126-V1180 HydrophobicContact CD2-CG2 4.38Å; Y1126-V1180 HydrophobicContact CE1-CG2 4.49Å; Y1126-V1180 HydrophobicContact CE2-CG2 3.57Å; K1146-V1180 HydrophobicContact CD-CB 4.31Å; K1146-V1180 HydrophobicContact CD-CG1 4.18Å; K1146-V1180 HydrophobicContact CD-CG2 4.03Å; V1180-L1182 HydrophobicContact CG1-CD2 4.24Å; V1180-L1182 HydrophobicContact CG1-CG 4.46Å
1181Y89.9Confident83.1Confident0 Ų048 Ų480%026%0.264CS..EExtended strand (participates in β ladder)trans-122.8137171.373.8-82000110.6L1079 V1080 N1081 L1088 F1089 L1108 I1115 K1122L1079-Y1181 HydrophobicContact CB-CD1 3.86Å; L1079-Y1181 HydrophobicContact CB-CE1 4.13Å; V1080-Y1181 PolarHBondContact O-N 2.83Å; N1081-Y1181 WeakPolarHBondContact CA-O 3.28Å; N1081-Y1181 HydrophobicContact CB-CD1 4.16Å; N1081-Y1181 HydrophobicContact CB-CD2 4.21Å; N1081-Y1181 HydrophobicContact CB-CE1 3.73Å; N1081-Y1181 HydrophobicContact CB-CE2 3.8Å; N1081-Y1181 HydrophobicContact CB-CG 4.41Å; N1081-Y1181 VanDerWaalsContact CG-O 3.27Å; N1081-Y1181 PolarHBondContact ND2-O 3.25Å; L1088-Y1181 HydrophobicContact CB-CE2 4.27Å; F1089-Y1181 PolarHBondContact O-OH 2.98Å; L1108-Y1181 HydrophobicContact CD1-CD1 4.39Å; L1108-Y1181 HydrophobicContact CD1-CE1 4.14Å; L1108-Y1181 HydrophobicContact CD1-CE2 4.37Å; L1108-Y1181 HydrophobicContact CD2-CD1 4.09Å; L1108-Y1181 HydrophobicContact CD2-CD2 3.56Å; L1108-Y1181 HydrophobicContact CD2-CE2 4.04Å; L1108-Y1181 HydrophobicContact CD2-CG 3.55Å; I1115-Y1181 HydrophobicContact CD1-CE2 4.21Å; K1122-Y1181 WeakPolarHBondContact O-CA 3.18Å
1182L85.9Confident83.8Confident5 Ų541.7 Ų41.73%0.02623%0.232CC..EExtended strand (participates in β ladder)trans-122.4147.7175.7-54.3177.1000109.1P1082 Q1083 V1121 K1122 M1124 E1142 E1143 V1180P1082-L1182 HydrophobicContact CG-CD2 3.83Å; Q1083-L1182 HydrophobicContact CG-CD2 3.5Å; Q1083-L1182 VanDerWaalsContact CG-CD2 3.5Å; V1121-L1182 WeakPolarHBondContact CA-O 3.46Å; K1122-L1182 HydrophobicContact CB-CB 4.45Å; K1122-L1182 PolarHBondContact N-O 3.47Å; K1122-L1182 PolarHBondContact O-N 3.03Å; M1124-L1182 HydrophobicContact CE-CD1 3.35Å; M1124-L1182 HydrophobicContact CE-CG 3.87Å; M1124-L1182 HydrophobicContact SD-CD1 4.06Å; E1142-L1182 HydrophobicContact CB-CD2 4.33Å; E1143-L1182 HydrophobicContact CG-CD1 4.11Å; V1180-L1182 HydrophobicContact CG1-CD2 4.24Å; V1180-L1182 HydrophobicContact CG1-CG 4.46Å
1183I83.2Confident84.2Confident37 Ų3737.3 Ų37.319%0.1920%0.203CC..EExtended strand (participates in β ladder)trans-110.5116.5168.9-53.2-165.1000107.3Q1083 L1088 I1115 R1120Q1083-I1183 PolarHBondContact NE2-O 3.34Å; Q1083-I1183 PolarHBondContact OE1-O 3.3Å; L1088-I1183 HydrophobicContact CD1-CB 4.29Å; L1088-I1183 HydrophobicContact CD1-CD1 3.25Å; L1088-I1183 HydrophobicContact CD1-CG1 3.64Å; L1088-I1183 HydrophobicContact CD2-CD1 4.25Å; L1088-I1183 HydrophobicContact CG-CD1 4.39Å; I1115-I1183 HydrophobicContact CB-CD1 4.29Å; I1115-I1183 HydrophobicContact CD1-CD1 4.05Å; I1115-I1183 HydrophobicContact CG1-CD1 3.68Å; I1115-I1183 HydrophobicContact CG2-CD1 4.15Å; R1120-I1183 HydrophobicContact CB-CG2 4.2Å; R1120-I1183 WeakPolarHBondContact O-CA 3.37Å
1184Q69.9Low84.3Confident142 Ų14235.9 Ų35.966%0.66419%0.193SC*.  trans-91.60178.3-71.2-171.5-28.100110.4R1120R1120-Q1184 WeakPolarHBondContact CB-O 3.39Å; R1120-Q1184 PolarHBondContact NE-O 3.3Å; R1120-Q1184 PolarHBondContact NH2-O 3.26Å; R1120-Q1184 PolarHBondContact NH2-OXT 3.06Å; R1120-Q1184 PolarHBondContact O-N 2.94Å

Retrieved 1,184 of 1,184 residues in 975.7 ms (Link to these results)

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