A0A096NHI7_PAPAN Loading...

Non-structural maintenance of chromosomes element 1 homolog

RING-type zinc finger-containing E3 ubiquitin ligase that assembles with melanoma antigen protein (MAGE) to catalyze the direct transfer of ubiquitin from E2 ubiquitin-conjugating enzyme to a specific substrate. Involved in maintenance of genome integrity, DNA damage response and DNA repair.

AlphaFold DB , UniProt , Accession A0A096NHI7, Species PAPAN (Papio anubis, Olive baboon), Gene NSMCE1, Length 266 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.8Very low52.5Low245 Ų245138.2 Ų138.2100%1.20772%0.72SS**  093.30-65.8-155.7170.800108.1
2Q32.3Very low55.8Low198 Ų198131.2 Ų131.293%0.92569%0.687SS**  trans-89105.8176.2-77.1175.78.500107.3S4Q2-S4 PolarHBondContact O-N 3.13Å
3G34.7Very low58.6Low70 Ų70128.2 Ų128.272%0.72267%0.672SS**  trans-65.3110.7168.500000108.3T5G3-T5 PolarHBondContact O-N 3.11Å
4S34.4Very low61.1Low110 Ų110119.3 Ų119.377%0.76963%0.626SS**  trans-64.1100.9168.7-173.30000107.7Q2 R6Q2-S4 PolarHBondContact O-N 3.13Å; S4-R6 PolarHBondContact O-N 3.11Å
5T39.2Very low63.3Low135 Ų135111.9 Ų111.983%0.82859%0.587SS**  trans-65.787.9166.240.10000107.7G3 R7G3-T5 PolarHBondContact O-N 3.11Å; T5-R7 PolarHBondContact O-N 3.25Å; T5-R7 VanDerWaalsContact O-N 3.16Å
6R51.8Low65.2Low183 Ų183112 Ų11269%0.69158%0.577SS**  trans-54119.1166.1-96.3176.6166.9-169.9-15.5107.3S4 M8 E65S4-R6 PolarHBondContact O-N 3.11Å; R6-M8 PolarHBondContact O-N 2.71Å; R6-E65 IonicContact CZ-OE1 2.67Å; R6-E65 IonicContact CZ-OE2 2.96Å; R6-E65 VanDerWaalsContact CZ-OE2 3.29Å; R6-E65 IonicContact NH1-OE1 2.77Å; R6-E65 IonicContact NH1-OE2 2.81Å; R6-E65 PolarHBondContact NH1-OE2 3.16Å; R6-E65 IonicContact NH2-OE1 3.74Å; R6-E65 IonicContact NH2-OE2 3.86Å
7R48.8Very low66.9Low244 Ų244111.1 Ų111.192%0.92157%0.565SS**  trans-57110.4167.5-82.8-179.4176.1176.3-1.3107T5 G9T5-R7 PolarHBondContact O-N 3.25Å; T5-R7 VanDerWaalsContact O-N 3.16Å; R7-G9 PolarHBondContact O-N 2.81Å
8M57.5Low68.5Low176 Ų176104.9 Ų104.987%0.86753%0.533SS*.PPolyproline II helixtrans-58.9123.8167.1-87.6161.152.800107.8R6R6-M8 PolarHBondContact O-N 2.71Å
9G66Low69.9Low17 Ų17100.6 Ų100.618%0.17551%0.511CS..PPolyproline II helixtrans-56.9144.1175.400000111.3R7 N59 S62 V63R7-G9 PolarHBondContact O-N 2.81Å; G9-N59 WeakPolarHBondContact CA-OD1 3.44Å; G9-S62 VanDerWaalsContact CA-OG 3.28Å; G9-S62 WeakPolarHBondContact CA-OG 3.31Å; G9-S62 PolarHBondContact N-OG 3.46Å; G9-V63 VanDerWaalsContact O-CG2 3.3Å; G9-V63 WeakPolarHBondContact O-CG2 3.36Å
10V86.6Confident71.1Confident100 Ų100100.8 Ų100.861%0.60651%0.51SS*.PPolyproline II helixtrans-87.7118.2178.2179.40000108.2T12 N59V10-T12 HydrophobicContact CG1-CG2 4.11Å; V10-N59 PolarHBondContact N-OD1 3.1Å; V10-N59 VanDerWaalsContact N-OD1 3.09Å; V10-N59 PolarHBondContact O-ND2 3.14Å
11M90.9Very high72.2Confident42 Ų4297.2 Ų97.221%0.20749%0.492CS..  trans-95.8103.6178.9-163.668.2178.200111.2H15 R16 L19 V63M11-H15 HydrophobicContact CE-CB 3.62Å; M11-H15 HydrophobicContact SD-CB 3.51Å; M11-H15 VanDerWaalsContact SD-CB 3.51Å; M11-R16 HydrophobicContact CE-CG 3.92Å; M11-R16 HydrophobicContact CG-CG 4.2Å; M11-R16 PolarHBondContact O-NH1 2.78Å; M11-R16 PolarHBondContact O-NH2 2.92Å; M11-L19 HydrophobicContact CE-CD1 3.43Å; M11-L19 VanDerWaalsContact CE-CD1 3.43Å; M11-L19 HydrophobicContact CE-CG 4.32Å; M11-V63 HydrophobicContact CB-CG1 4.47Å; M11-V63 HydrophobicContact CB-CG2 4.5Å
12T92.1Very high75Confident54 Ų5485.6 Ų85.633%0.33144%0.435SS..  trans-97.6172.1175.676.20000112.3V10 V14 H15 R16V10-T12 HydrophobicContact CG1-CG2 4.11Å; T12-V14 VanDerWaalsContact C-N 3.26Å; T12-V14 PolarHBondContact O-N 2.69Å; T12-V14 PolarHBondContact OG1-N 3.42Å; T12-H15 PolarHBondContact N-ND1 2.8Å; T12-H15 VanDerWaalsContact N-ND1 3.16Å; T12-H15 WeakPolarHBondContact O-CB 3.48Å; T12-H15 PolarHBondContact O-N 3.02Å; T12-H15 VanDerWaalsContact O-N 3.1Å; T12-H15 PolarHBondContact OG1-CE1 3.26Å; T12-H15 PolarHBondContact OG1-ND1 3.36Å; T12-R16 PolarHBondContact O-N 3.08Å; T12-R16 VanDerWaalsContact O-N 3.09Å
13D92.6Very high77.8Confident92 Ų9281.7 Ų81.749%0.49242%0.418SS..Hα-helixtrans-66.4-27.2178.7-62.3-42.3000113.4H15 R16 R17D13-H15 VanDerWaalsContact C-N 3.31Å; D13-H15 PolarHBondContact O-N 2.95Å; D13-R16 PolarHBondContact O-N 3.44Å; D13-R16 IonicContact OD1-CZ 3.89Å; D13-R16 IonicContact OD1-NH1 3.57Å; D13-R16 PolarHBondContact OD1-NH1 2.89Å; D13-R17 VanDerWaalsContact O-CB 3.3Å; D13-R17 WeakPolarHBondContact O-CB 3.48Å; D13-R17 PolarHBondContact O-N 3.42Å
14V93.2Very high80.4Confident4 Ų483.5 Ų83.52%0.02442%0.416CS..Hα-helixtrans-56.9-47.3169.9176.80000110.1T12 F18 C40 Y41 H44 D45 F56T12-V14 VanDerWaalsContact C-N 3.26Å; T12-V14 PolarHBondContact O-N 2.69Å; T12-V14 PolarHBondContact OG1-N 3.42Å; V14-F18 VanDerWaalsContact O-CB 3.28Å; V14-F18 WeakPolarHBondContact O-CB 3.5Å; V14-F18 PolarHBondContact O-N 2.93Å; V14-C40 HydrophobicContact CG1-CB 3.7Å; V14-Y41 HydrophobicContact CG1-CD1 4.16Å; V14-Y41 HydrophobicContact CG1-CD2 3.78Å; V14-Y41 HydrophobicContact CG1-CE1 4.23Å; V14-Y41 HydrophobicContact CG1-CE2 3.81Å; V14-Y41 HydrophobicContact CG1-CG 3.94Å; V14-Y41 HydrophobicContact CG2-CD1 4.24Å; V14-H44 HydrophobicContact CG2-CB 3.78Å; V14-D45 HydrophobicContact CG2-CB 4.03Å; V14-F56 HydrophobicContact CG1-CE2 4.03Å; V14-F56 HydrophobicContact CG1-CZ 4.28Å
15H94Very high83Confident9 Ų983 Ų834%0.04240%0.401CS..Hα-helixtrans-68.6-42-180-56.298.5000111.9M11 T12 D13 F18 L19 F56 N59 I60M11-H15 HydrophobicContact CE-CB 3.62Å; M11-H15 HydrophobicContact SD-CB 3.51Å; M11-H15 VanDerWaalsContact SD-CB 3.51Å; T12-H15 PolarHBondContact N-ND1 2.8Å; T12-H15 VanDerWaalsContact N-ND1 3.16Å; T12-H15 WeakPolarHBondContact O-CB 3.48Å; T12-H15 PolarHBondContact O-N 3.02Å; T12-H15 VanDerWaalsContact O-N 3.1Å; T12-H15 PolarHBondContact OG1-CE1 3.26Å; T12-H15 PolarHBondContact OG1-ND1 3.36Å; D13-H15 VanDerWaalsContact C-N 3.31Å; D13-H15 PolarHBondContact O-N 2.95Å; H15-F18 WeakPolarHBondContact O-CB 3.49Å; H15-F18 PolarHBondContact O-N 3.04Å; H15-L19 PolarHBondContact O-N 3.49Å; H15-F56 AromaticContact CD2-CD2 3.7Å; H15-F56 AromaticContact CD2-CE2 3.18Å; H15-F56 WeakPolarHBondContact CD2-CE2 3.27Å; H15-F56 AromaticContact CD2-CZ 3.6Å; H15-F56 AromaticContact NE2-CD2 3.58Å; H15-F56 AromaticContact NE2-CE2 3.41Å; H15-F56 WeakPolarHBondContact NE2-CE2 3.36Å; H15-N59 PolarHBondContact CE1-ND2 3.24Å; H15-N59 PolarHBondContact NE2-ND2 2.8Å; H15-I60 HydrophobicContact CB-CD1 4.25Å; H15-I60 HydrophobicContact CB-CG1 4.06Å; H15-I60 VanDerWaalsContact CD2-CG1 3.48Å; H15-I60 WeakPolarHBondContact CD2-CG1 3.38Å
16R94.1Very high85.3Confident113 Ų11376.8 Ų76.843%0.42636%0.363SS..Hα-helixtrans-62.7-45.6177.5-65.8-178.9-173.893.713.9111.3M11 T12 D13 F18 L19 Q20M11-R16 HydrophobicContact CE-CG 3.92Å; M11-R16 HydrophobicContact CG-CG 4.2Å; M11-R16 PolarHBondContact O-NH1 2.78Å; M11-R16 PolarHBondContact O-NH2 2.92Å; T12-R16 PolarHBondContact O-N 3.08Å; T12-R16 VanDerWaalsContact O-N 3.09Å; D13-R16 PolarHBondContact O-N 3.44Å; D13-R16 IonicContact OD1-CZ 3.89Å; D13-R16 IonicContact OD1-NH1 3.57Å; D13-R16 PolarHBondContact OD1-NH1 2.89Å; R16-F18 VanDerWaalsContact C-N 3.32Å; R16-F18 PolarHBondContact O-N 3.49Å; R16-L19 PolarHBondContact O-N 2.73Å; R16-Q20 WeakPolarHBondContact O-CG 3.24Å; R16-Q20 PolarHBondContact O-N 2.9Å
17R93.6Very high87.3Confident97 Ų9768.8 Ų68.837%0.36634%0.335SS..Hα-helixtrans-65.1-39.2178.3-175.256.6177.6172.21.7111.7D13 Q20 L21D13-R17 VanDerWaalsContact O-CB 3.3Å; D13-R17 WeakPolarHBondContact O-CB 3.48Å; D13-R17 PolarHBondContact O-N 3.42Å; R17-Q20 VanDerWaalsContact NH1-OE1 3.08Å; R17-Q20 PolarHBondContact O-N 2.77Å; R17-L21 HydrophobicContact CG-CD1 4.11Å; R17-L21 WeakPolarHBondContact O-CG 3.45Å; R17-L21 PolarHBondContact O-N 2.86Å; R17-L21 VanDerWaalsContact O-N 3.07Å
18F95.6Very high89.5Confident0 Ų058 Ų580%030%0.295CS..Hα-helixtrans-58.7-48.3173.9176.4-87.2000111.6V14 H15 R16 Q20 L21 L22 V33 L36 Q37 F56 I60 I71V14-F18 VanDerWaalsContact O-CB 3.28Å; V14-F18 WeakPolarHBondContact O-CB 3.5Å; V14-F18 PolarHBondContact O-N 2.93Å; H15-F18 WeakPolarHBondContact O-CB 3.49Å; H15-F18 PolarHBondContact O-N 3.04Å; R16-F18 VanDerWaalsContact C-N 3.32Å; R16-F18 PolarHBondContact O-N 3.49Å; F18-Q20 PolarHBondContact O-N 2.92Å; F18-L21 PolarHBondContact O-N 3.41Å; F18-L22 HydrophobicContact CE1-CD2 4.17Å; F18-L22 WeakPolarHBondContact O-CB 3.35Å; F18-L22 PolarHBondContact O-N 3.09Å; F18-V33 HydrophobicContact CE2-CG1 3.74Å; F18-V33 HydrophobicContact CZ-CG1 3.54Å; F18-L36 HydrophobicContact CD2-CB 4.39Å; F18-L36 HydrophobicContact CD2-CD2 3.85Å; F18-L36 HydrophobicContact CD2-CG 3.79Å; F18-L36 HydrophobicContact CE2-CB 4.32Å; F18-L36 HydrophobicContact CE2-CD2 3.93Å; F18-L36 HydrophobicContact CE2-CG 4.09Å; F18-L36 HydrophobicContact CG-CD2 4.49Å; F18-Q37 HydrophobicContact CD2-CB 4.44Å; F18-Q37 HydrophobicContact CE2-CB 4.29Å; F18-F56 HydrophobicContact CB-CE1 4.25Å; F18-F56 HydrophobicContact CB-CZ 4.08Å; F18-F56 AromaticContact CD1-CE1 3.84Å; F18-F56 HydrophobicContact CD1-CE1 3.84Å; F18-F56 HydrophobicContact CD1-CZ 4.45Å; F18-F56 AromaticContact CD2-CE1 3.76Å; F18-F56 HydrophobicContact CD2-CE1 3.76Å; F18-F56 HydrophobicContact CD2-CZ 4.25Å; F18-F56 HydrophobicContact CE1-CE1 4.05Å; F18-F56 AromaticContact CE2-CE1 3.96Å; F18-F56 HydrophobicContact CE2-CE1 3.96Å; F18-F56 AromaticContact CG-CE1 3.68Å; F18-F56 HydrophobicContact CG-CE1 3.68Å; F18-F56 HydrophobicContact CG-CZ 4.02Å; F18-F56 HydrophobicContact CZ-CE1 4.09Å; F18-I60 HydrophobicContact CD1-CD1 3.82Å; F18-I60 HydrophobicContact CE1-CD1 4.14Å; F18-I71 HydrophobicContact CE1-CD1 3.87Å
19L95.1Very high91.3Very high22 Ų2252.3 Ų52.312%0.11527%0.267CS..Hα-helixtrans-61.7-44.2177.2-75.8179.2000112.7M11 H15 R16 L21 L22 M23 I60 L64 I71 L86M11-L19 HydrophobicContact CE-CD1 3.43Å; M11-L19 VanDerWaalsContact CE-CD1 3.43Å; M11-L19 HydrophobicContact CE-CG 4.32Å; H15-L19 PolarHBondContact O-N 3.49Å; R16-L19 PolarHBondContact O-N 2.73Å; L19-L21 VanDerWaalsContact C-N 3.32Å; L19-L21 PolarHBondContact O-N 3.21Å; L19-L22 PolarHBondContact O-N 2.84Å; L19-M23 VanDerWaalsContact O-CG 3.31Å; L19-M23 WeakPolarHBondContact O-CG 3.48Å; L19-M23 PolarHBondContact O-N 3.27Å; L19-I60 HydrophobicContact CD1-CG2 4.04Å; L19-I60 HydrophobicContact CD2-CG2 3.99Å; L19-I60 HydrophobicContact CG-CG2 4.2Å; L19-L64 HydrophobicContact CD1-CD1 4.37Å; L19-L64 HydrophobicContact CD1-CD2 4.07Å; L19-L64 HydrophobicContact CD2-CD1 4.15Å; L19-I71 HydrophobicContact CD2-CD1 3.84Å; L19-I71 HydrophobicContact CD2-CG1 4.11Å; L19-L86 HydrophobicContact CD2-CD1 4.23Å
20Q94.3Very high92.6Very high105 Ų10553.6 Ų53.649%0.49127%0.268SS..Hα-helixtrans-55.1-49.6176.4-73.5175-7.900111.2R16 R17 F18 M23 T24R16-Q20 WeakPolarHBondContact O-CG 3.24Å; R16-Q20 PolarHBondContact O-N 2.9Å; R17-Q20 VanDerWaalsContact NH1-OE1 3.08Å; R17-Q20 PolarHBondContact O-N 2.77Å; F18-Q20 PolarHBondContact O-N 2.92Å; Q20-M23 PolarHBondContact O-N 2.61Å; Q20-T24 WeakPolarHBondContact O-CG2 3.39Å; Q20-T24 PolarHBondContact O-N 2.65Å; Q20-T24 VanDerWaalsContact O-N 3.15Å
21L94.6Very high92.9Very high26 Ų2655.1 Ų55.114%0.13626%0.263CS..Hα-helixtrans-69.6-35.7-179.4-68.1172.3000111.8R17 F18 L19 M23 T24 H25 L36R17-L21 HydrophobicContact CG-CD1 4.11Å; R17-L21 WeakPolarHBondContact O-CG 3.45Å; R17-L21 PolarHBondContact O-N 2.86Å; R17-L21 VanDerWaalsContact O-N 3.07Å; F18-L21 PolarHBondContact O-N 3.41Å; L19-L21 VanDerWaalsContact C-N 3.32Å; L19-L21 PolarHBondContact O-N 3.21Å; L21-M23 VanDerWaalsContact C-N 3.33Å; L21-M23 PolarHBondContact O-N 3.4Å; L21-T24 PolarHBondContact O-N 3.13Å; L21-T24 PolarHBondContact O-OG1 3.14Å; L21-H25 PolarHBondContact O-N 3.12Å; L21-H25 PolarHBondContact O-ND1 2.78Å; L21-L36 HydrophobicContact CB-CD1 3.67Å; L21-L36 HydrophobicContact CB-CD2 3.99Å; L21-L36 HydrophobicContact CB-CG 4.4Å; L21-L36 HydrophobicContact CD1-CD1 3.42Å; L21-L36 VanDerWaalsContact CD1-CD1 3.42Å; L21-L36 HydrophobicContact CG-CD1 4.15Å
22L93.9Very high93Very high1 Ų155.1 Ų55.11%0.00526%0.264CS..Hα-helixtrans-62.2-42.5174.6-176.163000111.2F18 L19 T24 H25 G26 L28 I71 L86F18-L22 HydrophobicContact CE1-CD2 4.17Å; F18-L22 WeakPolarHBondContact O-CB 3.35Å; F18-L22 PolarHBondContact O-N 3.09Å; L19-L22 PolarHBondContact O-N 2.84Å; L22-T24 PolarHBondContact O-N 3.39Å; L22-H25 PolarHBondContact O-N 3.18Å; L22-G26 PolarHBondContact O-N 3Å; L22-L28 HydrophobicContact CD1-CB 4.38Å; L22-L28 HydrophobicContact CD1-CD1 3.98Å; L22-L28 HydrophobicContact CD1-CG 4.19Å; L22-I71 HydrophobicContact CD2-CD1 4.35Å; L22-I71 HydrophobicContact CD2-CG1 3.95Å; L22-I71 HydrophobicContact CD2-CG2 4.12Å; L22-L86 HydrophobicContact CD2-CB 4.45Å
23M90.6Very high93.1Very high115 Ų11552.5 Ų52.557%0.56725%0.248SC*.Hα-helixtrans-64.7-37.3177.7-69.4176.575.100112.8L19 Q20 L21 H25 G26 L86L19-M23 VanDerWaalsContact O-CG 3.31Å; L19-M23 WeakPolarHBondContact O-CG 3.48Å; L19-M23 PolarHBondContact O-N 3.27Å; Q20-M23 PolarHBondContact O-N 2.61Å; L21-M23 VanDerWaalsContact C-N 3.33Å; L21-M23 PolarHBondContact O-N 3.4Å; M23-H25 VanDerWaalsContact C-N 3.32Å; M23-H25 PolarHBondContact O-N 2.94Å; M23-G26 PolarHBondContact O-N 3.47Å; M23-L86 HydrophobicContact CE-CD2 4.43Å; M23-L86 HydrophobicContact CG-CD2 3.64Å; M23-L86 HydrophobicContact SD-CD2 3.88Å
24T89.4Confident93.2Very high109 Ų10951.9 Ų51.967%0.66924%0.241SC*.Hα-helixtrans-68.1-31.8177.960.50000113.1Q20 L21 L22Q20-T24 WeakPolarHBondContact O-CG2 3.39Å; Q20-T24 PolarHBondContact O-N 2.65Å; Q20-T24 VanDerWaalsContact O-N 3.15Å; L21-T24 PolarHBondContact O-N 3.13Å; L21-T24 PolarHBondContact O-OG1 3.14Å; L22-T24 PolarHBondContact O-N 3.39Å
25H89.4Confident93.2Very high99 Ų9959 Ų5946%0.45827%0.267SS..Hα-helixtrans-84.3-22.8177.8-66.882.8000112.3L21 L22 M23 V27 L28L21-H25 PolarHBondContact O-N 3.12Å; L21-H25 PolarHBondContact O-ND1 2.78Å; L22-H25 PolarHBondContact O-N 3.18Å; M23-H25 VanDerWaalsContact C-N 3.32Å; M23-H25 PolarHBondContact O-N 2.94Å; H25-V27 PolarHBondContact O-N 2.95Å; H25-L28 HydrophobicContact CB-CD1 4.41Å; H25-L28 HydrophobicContact CB-CD2 3.69Å; H25-L28 HydrophobicContact CB-CG 3.93Å
26G88Confident93.2Very high4 Ų459.4 Ų59.44%0.04127%0.27CS..SBendtrans78.7-47.4-176.300000113.3L22 M23L22-G26 PolarHBondContact O-N 3Å; M23-G26 PolarHBondContact O-N 3.47Å
27V93.9Very high93.3Very high15 Ų1554.3 Ų54.39%0.09125%0.251CS..EExtended strand (participates in β ladder)trans-152.1145.7178.362.20000110.1H25 I83 Y84 A85 K157 R171H25-V27 PolarHBondContact O-N 2.95Å; V27-I83 HydrophobicContact CG2-CB 3.87Å; V27-I83 HydrophobicContact CG2-CD1 4.16Å; V27-I83 HydrophobicContact CG2-CG1 4.48Å; V27-I83 HydrophobicContact CG2-CG2 4.45Å; V27-Y84 WeakPolarHBondContact CA-O 3.47Å; V27-Y84 WeakPolarHBondContact CG2-O 3.18Å; V27-A85 HydrophobicContact CB-CB 4.29Å; V27-A85 HydrophobicContact CG2-CB 4.23Å; V27-K157 HydrophobicContact CG1-CB 3.87Å; V27-K157 HydrophobicContact CG1-CG 4.02Å; V27-R171 HydrophobicContact CB-CB 3.89Å; V27-R171 HydrophobicContact CB-CG 4.12Å; V27-R171 HydrophobicContact CG1-CB 3.92Å; V27-R171 HydrophobicContact CG1-CG 4.41Å; V27-R171 HydrophobicContact CG2-CB 4.24Å
28L95.1Very high93.2Very high18 Ų1856.1 Ų56.19%0.09426%0.258CS..EExtended strand (participates in β ladder)trans-136.8146.2177.8-69.7176.3000111.2L22 H25 D32 V33 L36 I83 Y84L22-L28 HydrophobicContact CD1-CB 4.38Å; L22-L28 HydrophobicContact CD1-CD1 3.98Å; L22-L28 HydrophobicContact CD1-CG 4.19Å; H25-L28 HydrophobicContact CB-CD1 4.41Å; H25-L28 HydrophobicContact CB-CD2 3.69Å; H25-L28 HydrophobicContact CB-CG 3.93Å; L28-D32 HydrophobicContact CB-CB 4.29Å; L28-D32 HydrophobicContact CD2-CB 4.18Å; L28-V33 HydrophobicContact CB-CG2 3.53Å; L28-V33 HydrophobicContact CD1-CG2 4.41Å; L28-L36 HydrophobicContact CD1-CD2 3.67Å; L28-I83 CarbonylContact O-C 3.51Å; L28-I83 WeakPolarHBondContact O-CA 3.31Å; L28-Y84 PolarHBondContact N-O 3.17Å; L28-Y84 PolarHBondContact O-N 3.38Å
29E94.8Very high93Very high57 Ų5760.7 Ų60.727%0.26628%0.279SS..EExtended strand (participates in β ladder)trans-70.9154.6169.5-68.1179-157.400111W31 D32 V33 R81 P82 I83E29-W31 PolarHBondContact O-N 3.25Å; E29-W31 VanDerWaalsContact O-N 3.09Å; E29-W31 VanDerWaalsContact OE2-CD1 3.23Å; E29-W31 PolarHBondContact OE2-NE1 3.4Å; E29-D32 WeakPolarHBondContact O-CB 3.25Å; E29-D32 PolarHBondContact O-N 3.11Å; E29-V33 WeakPolarHBondContact O-CG2 3.47Å; E29-V33 PolarHBondContact O-N 3.2Å; E29-R81 IonicContact OE2-NH1 2.82Å; E29-P82 CarbonylContact C-O 3.56Å; E29-P82 WeakPolarHBondContact CA-O 3.4Å; E29-I83 HydrophobicContact CG-CG2 4.25Å
30E93.6Very high92.9Very high43 Ų4359.7 Ų59.720%0.20127%0.273CS..Hα-helixtrans-52.5-38.9-176-171.1173.7158.600113.8V33 K34 L53 P82 Y84E30-V33 PolarHBondContact O-N 2.92Å; E30-K34 HydrophobicContact CG-CD 4.49Å; E30-K34 WeakPolarHBondContact O-CG 3.24Å; E30-K34 PolarHBondContact O-N 3.27Å; E30-K34 WeakPolarHBondContact OE1-CE 3.37Å; E30-K34 IonicContact OE1-NZ 3.95Å; E30-K34 PolarHBondContact OE1-NZ 3.04Å; E30-L53 HydrophobicContact CG-CD2 3.97Å; E30-P82 HydrophobicContact CB-CB 4.01Å; E30-P82 HydrophobicContact CB-CG 3.6Å; E30-P82 PolarHBondContact N-O 2.87Å; E30-P82 WeakPolarHBondContact OE2-CB 3.45Å; E30-P82 VanDerWaalsContact OE2-CG 3.27Å; E30-P82 WeakPolarHBondContact OE2-CG 3.38Å; E30-Y84 HydrophobicContact CB-CD2 4.41Å; E30-Y84 HydrophobicContact CB-CE2 3.72Å; E30-Y84 HydrophobicContact CG-CE2 3.75Å
31W91.6Very high92.8Very high133 Ų13355.3 Ų55.350%0.50425%0.253SS..Hα-helixtrans-68.3-38.718074.3-87.6000112.1E29 K34 R35E29-W31 PolarHBondContact O-N 3.25Å; E29-W31 VanDerWaalsContact O-N 3.09Å; E29-W31 VanDerWaalsContact OE2-CD1 3.23Å; E29-W31 PolarHBondContact OE2-NE1 3.4Å; W31-K34 PolarHBondContact O-N 2.81Å; W31-R35 WeakPolarHBondContact O-CB 3.2Å; W31-R35 PolarHBondContact O-N 3Å
32D94.2Very high92.6Very high41 Ų4161.2 Ų61.222%0.21928%0.277CS..Hα-helixtrans-68.9-37.6175-85-42.6000111L28 E29 R35 L36L28-D32 HydrophobicContact CB-CB 4.29Å; L28-D32 HydrophobicContact CD2-CB 4.18Å; E29-D32 WeakPolarHBondContact O-CB 3.25Å; E29-D32 PolarHBondContact O-N 3.11Å; D32-R35 CarbonylContact O-C 3.58Å; D32-R35 WeakPolarHBondContact O-CB 3.49Å; D32-R35 PolarHBondContact O-N 2.95Å; D32-L36 VanDerWaalsContact O-CB 3.26Å; D32-L36 WeakPolarHBondContact O-CB 3.49Å; D32-L36 PolarHBondContact O-N 3.32Å
33V94.4Very high92.4Very high0 Ų065.1 Ų65.10%030%0.301CS..Hα-helixtrans-62.6-45.7172.9-177.60000111F18 L28 E29 E30 R35 L36 Q37 L53 Y84F18-V33 HydrophobicContact CE2-CG1 3.74Å; F18-V33 HydrophobicContact CZ-CG1 3.54Å; L28-V33 HydrophobicContact CB-CG2 3.53Å; L28-V33 HydrophobicContact CD1-CG2 4.41Å; E29-V33 WeakPolarHBondContact O-CG2 3.47Å; E29-V33 PolarHBondContact O-N 3.2Å; E30-V33 PolarHBondContact O-N 2.92Å; V33-R35 VanDerWaalsContact C-N 3.28Å; V33-R35 PolarHBondContact O-N 3.25Å; V33-L36 WeakPolarHBondContact O-CB 3.47Å; V33-L36 PolarHBondContact O-N 3.2Å; V33-Q37 WeakPolarHBondContact O-CB 3.46Å; V33-Q37 PolarHBondContact O-N 3.07Å; V33-L53 HydrophobicContact CB-CD2 4.48Å; V33-L53 HydrophobicContact CG1-CD1 3.66Å; V33-L53 HydrophobicContact CG1-CD2 4.14Å; V33-Y84 HydrophobicContact CB-CD2 4.42Å; V33-Y84 HydrophobicContact CG2-CD2 3.79Å; V33-Y84 HydrophobicContact CG2-CG 4.03Å
34K93.9Very high92.1Very high78 Ų7864.1 Ų64.134%0.33930%0.295SS..Hα-helixtrans-62.6-34.9174.2-71.6179.2-176.2166.80112.1E30 W31 R38 L53E30-K34 HydrophobicContact CG-CD 4.49Å; E30-K34 WeakPolarHBondContact O-CG 3.24Å; E30-K34 PolarHBondContact O-N 3.27Å; E30-K34 WeakPolarHBondContact OE1-CE 3.37Å; E30-K34 IonicContact OE1-NZ 3.95Å; E30-K34 PolarHBondContact OE1-NZ 3.04Å; W31-K34 PolarHBondContact O-N 2.81Å; K34-R38 WeakPolarHBondContact O-CG 3.26Å; K34-R38 PolarHBondContact O-N 3.23Å; K34-R38 PolarHBondContact O-NE 2.9Å; K34-L53 HydrophobicContact CG-CB 4.25Å; K34-L53 HydrophobicContact CG-CD2 3.78Å; K34-L53 HydrophobicContact CG-CG 4.43Å
35R93.9Very high91.6Very high153 Ų15362.5 Ų62.558%0.57728%0.282SS*.Hα-helixtrans-69.1-40.9175.1-176.8-179.9168.6-164.9-1.6111W31 D32 V33 R38 H39W31-R35 WeakPolarHBondContact O-CB 3.2Å; W31-R35 PolarHBondContact O-N 3Å; D32-R35 CarbonylContact O-C 3.58Å; D32-R35 WeakPolarHBondContact O-CB 3.49Å; D32-R35 PolarHBondContact O-N 2.95Å; V33-R35 VanDerWaalsContact C-N 3.28Å; V33-R35 PolarHBondContact O-N 3.25Å; R35-R38 PolarHBondContact O-N 2.97Å; R35-H39 WeakPolarHBondContact O-CB 3.31Å; R35-H39 PolarHBondContact O-N 2.91Å
36L94.4Very high90.8Very high18 Ų1868 Ų689%0.09430%0.298CS..Hα-helixtrans-65-46.3177.1-178.262.3000111.7F18 L21 L28 D32 V33 R38 H39 C40F18-L36 HydrophobicContact CD2-CB 4.39Å; F18-L36 HydrophobicContact CD2-CD2 3.85Å; F18-L36 HydrophobicContact CD2-CG 3.79Å; F18-L36 HydrophobicContact CE2-CB 4.32Å; F18-L36 HydrophobicContact CE2-CD2 3.93Å; F18-L36 HydrophobicContact CE2-CG 4.09Å; F18-L36 HydrophobicContact CG-CD2 4.49Å; L21-L36 HydrophobicContact CB-CD1 3.67Å; L21-L36 HydrophobicContact CB-CD2 3.99Å; L21-L36 HydrophobicContact CB-CG 4.4Å; L21-L36 HydrophobicContact CD1-CD1 3.42Å; L21-L36 VanDerWaalsContact CD1-CD1 3.42Å; L21-L36 HydrophobicContact CG-CD1 4.15Å; L28-L36 HydrophobicContact CD1-CD2 3.67Å; D32-L36 VanDerWaalsContact O-CB 3.26Å; D32-L36 WeakPolarHBondContact O-CB 3.49Å; D32-L36 PolarHBondContact O-N 3.32Å; V33-L36 WeakPolarHBondContact O-CB 3.47Å; V33-L36 PolarHBondContact O-N 3.2Å; L36-R38 PolarHBondContact O-N 3.45Å; L36-H39 WeakPolarHBondContact O-CB 3.49Å; L36-H39 PolarHBondContact O-N 3.46Å; L36-H39 VanDerWaalsContact O-N 3.16Å; L36-C40 PolarHBondContact O-N 3.1Å; L36-C40 PolarHBondContact O-SG 3.31Å
37Q94.2Very high90.1Very high6 Ų675.3 Ų75.33%0.02834%0.337CS..Hα-helixtrans-54.4-54.8174.2-174.4-163.113.300110.2F18 V33 H39 C40 Y41 V50 D51 F56F18-Q37 HydrophobicContact CD2-CB 4.44Å; F18-Q37 HydrophobicContact CE2-CB 4.29Å; V33-Q37 WeakPolarHBondContact O-CB 3.46Å; V33-Q37 PolarHBondContact O-N 3.07Å; Q37-H39 VanDerWaalsContact C-N 3.27Å; Q37-H39 PolarHBondContact O-N 3.36Å; Q37-C40 PolarHBondContact O-N 3.45Å; Q37-C40 VanDerWaalsContact O-N 3.07Å; Q37-Y41 HydrophobicContact CG-CD2 4.05Å; Q37-Y41 HydrophobicContact CG-CE2 3.8Å; Q37-Y41 WeakPolarHBondContact O-CD2 3.31Å; Q37-Y41 PolarHBondContact O-N 2.58Å; Q37-Y41 VanDerWaalsContact O-N 3.08Å; Q37-V50 HydrophobicContact CG-CG1 4.3Å; Q37-D51 PolarHBondContact NE2-O 3.03Å; Q37-F56 HydrophobicContact CG-CD1 4.03Å; Q37-F56 HydrophobicContact CG-CD2 4.3Å; Q37-F56 HydrophobicContact CG-CE1 4.08Å; Q37-F56 HydrophobicContact CG-CE2 4.34Å; Q37-F56 HydrophobicContact CG-CG 4.14Å; Q37-F56 HydrophobicContact CG-CZ 4.24Å
38R92.4Very high89.3Confident136 Ų13676.3 Ų76.351%0.51335%0.346SS..Hα-helixtrans-58.5-37.2177.4-74.3-177.3-69.5165.1-3.3112.9K34 R35 L36 K42 V50K34-R38 WeakPolarHBondContact O-CG 3.26Å; K34-R38 PolarHBondContact O-N 3.23Å; K34-R38 PolarHBondContact O-NE 2.9Å; R35-R38 PolarHBondContact O-N 2.97Å; L36-R38 PolarHBondContact O-N 3.45Å; R38-K42 WeakPolarHBondContact O-CB 3.31Å; R38-K42 VanDerWaalsContact O-CG 3.3Å; R38-K42 WeakPolarHBondContact O-CG 3.41Å; R38-K42 PolarHBondContact O-N 3.19Å; R38-V50 HydrophobicContact CG-CG1 4.17Å; R38-V50 HydrophobicContact CG-CG2 4.47Å
39H92.6Very high88.7Confident96 Ų9681 Ų8144%0.44438%0.376SS..Hα-helixtrans-63.5-44.7175.4177.474.7000111.5R35 L36 Q37 K42 V43R35-H39 WeakPolarHBondContact O-CB 3.31Å; R35-H39 PolarHBondContact O-N 2.91Å; L36-H39 WeakPolarHBondContact O-CB 3.49Å; L36-H39 PolarHBondContact O-N 3.46Å; L36-H39 VanDerWaalsContact O-N 3.16Å; Q37-H39 VanDerWaalsContact C-N 3.27Å; Q37-H39 PolarHBondContact O-N 3.36Å; H39-K42 PolarHBondContact O-N 3.22Å; H39-V43 WeakPolarHBondContact O-CG2 3.47Å; H39-V43 PolarHBondContact O-N 3.22Å; H39-V43 VanDerWaalsContact O-N 3.14Å
40C92.4Very high88.3Confident0 Ų081.6 Ų81.60%038%0.383CS..Hα-helixtrans-64-42.9-180-62.40000112V14 L36 Q37 V43 H44V14-C40 HydrophobicContact CG1-CB 3.7Å; L36-C40 PolarHBondContact O-N 3.1Å; L36-C40 PolarHBondContact O-SG 3.31Å; Q37-C40 PolarHBondContact O-N 3.45Å; Q37-C40 VanDerWaalsContact O-N 3.07Å; C40-V43 PolarHBondContact O-N 2.85Å; C40-H44 PolarHBondContact O-N 2.97Å
41Y91.6Very high87.9Confident14 Ų1483.3 Ų83.36%0.05539%0.394CS..Hα-helixtrans-60.7-46.1172.6-80.1-82.3000111.4V14 Q37 V43 H44 D45 R46 A48 V50 D51 F56V14-Y41 HydrophobicContact CG1-CD1 4.16Å; V14-Y41 HydrophobicContact CG1-CD2 3.78Å; V14-Y41 HydrophobicContact CG1-CE1 4.23Å; V14-Y41 HydrophobicContact CG1-CE2 3.81Å; V14-Y41 HydrophobicContact CG1-CG 3.94Å; V14-Y41 HydrophobicContact CG2-CD1 4.24Å; Q37-Y41 HydrophobicContact CG-CD2 4.05Å; Q37-Y41 HydrophobicContact CG-CE2 3.8Å; Q37-Y41 WeakPolarHBondContact O-CD2 3.31Å; Q37-Y41 PolarHBondContact O-N 2.58Å; Q37-Y41 VanDerWaalsContact O-N 3.08Å; Y41-V43 PolarHBondContact O-N 3.44Å; Y41-V43 VanDerWaalsContact O-N 3.11Å; Y41-H44 PolarHBondContact O-N 3.32Å; Y41-D45 HydrophobicContact CD1-CB 4.45Å; Y41-D45 CarbonylContact O-C 2.93Å; Y41-D45 WeakPolarHBondContact O-CA 3.34Å; Y41-D45 PolarHBondContact O-N 3.34Å; Y41-R46 PolarHBondContact O-N 2.65Å; Y41-A48 HydrophobicContact CD1-CB 4.18Å; Y41-A48 HydrophobicContact CE1-CB 4.27Å; Y41-V50 HydrophobicContact CD2-CB 4.44Å; Y41-V50 HydrophobicContact CD2-CG1 4.01Å; Y41-V50 HydrophobicContact CD2-CG2 4.09Å; Y41-V50 HydrophobicContact CE2-CG1 4.13Å; Y41-V50 HydrophobicContact CG-CG2 4.08Å; Y41-D51 PolarHBondContact OH-OD2 2.87Å; Y41-F56 HydrophobicContact CE2-CD2 4Å; Y41-F56 AromaticContact CE2-CE2 3.83Å; Y41-F56 HydrophobicContact CE2-CE2 3.83Å; Y41-F56 WeakPolarHBondContact OH-CD2 3.49Å
42K89.4Confident88Confident150 Ų15084.5 Ų84.565%0.65240%0.402SS*.Hα-helixtrans-59.8-26.7178.6-77.5179.1178.1-171.60114.7R38 H39 R46R38-K42 WeakPolarHBondContact O-CB 3.31Å; R38-K42 VanDerWaalsContact O-CG 3.3Å; R38-K42 WeakPolarHBondContact O-CG 3.41Å; R38-K42 PolarHBondContact O-N 3.19Å; H39-K42 PolarHBondContact O-N 3.22Å; K42-R46 WeakPolarHBondContact O-CG 3.46Å; K42-R46 PolarHBondContact O-NE 3.05Å
43V89.9Confident87.8Confident83 Ų8383.1 Ų83.150%0.50340%0.395SS..Hα-helixtrans-88.8-44.3-179.1174.70000111.5H39 C40 Y41H39-V43 WeakPolarHBondContact O-CG2 3.47Å; H39-V43 PolarHBondContact O-N 3.22Å; H39-V43 VanDerWaalsContact O-N 3.14Å; C40-V43 PolarHBondContact O-N 2.85Å; Y41-V43 PolarHBondContact O-N 3.44Å; Y41-V43 VanDerWaalsContact O-N 3.11Å
44H84.3Confident87.7Confident94 Ų9489.6 Ų89.644%0.43543%0.425SS..Hα-helixtrans-107.5-20.7-169.6-68.4-75.9000114.6V14 C40 Y41V14-H44 HydrophobicContact CG2-CB 3.78Å; C40-H44 PolarHBondContact O-N 2.97Å; Y41-H44 PolarHBondContact O-N 3.32Å
45D78.8Confident87.7Confident75 Ų7590.3 Ų90.340%0.40143%0.433SS..  trans-152.277.2-179.8-163.5-13.8000111.6V14 Y41 N47 A48V14-D45 HydrophobicContact CG2-CB 4.03Å; Y41-D45 HydrophobicContact CD1-CB 4.45Å; Y41-D45 CarbonylContact O-C 2.93Å; Y41-D45 WeakPolarHBondContact O-CA 3.34Å; Y41-D45 PolarHBondContact O-N 3.34Å; D45-N47 PolarHBondContact O-N 3.18Å; D45-A48 HydrophobicContact CB-CB 4.22Å; D45-A48 WeakPolarHBondContact OD1-CB 3.4Å; D45-A48 PolarHBondContact OD1-N 2.92Å; D45-A48 WeakPolarHBondContact OD2-CB 3.44Å
46R73.9Confident87.7Confident214 Ų21483.1 Ų83.181%0.80841%0.406SS*.THydrogen-bonded Turntrans-64.2-21.2-173.1-80.7179.4161.5-172.8-6.6114.7Y41 K42Y41-R46 PolarHBondContact O-N 2.65Å; K42-R46 WeakPolarHBondContact O-CG 3.46Å; K42-R46 PolarHBondContact O-NE 3.05Å
47N73Confident87.7Confident158 Ų15882.8 Ų82.885%0.84540%0.404SS*.THydrogen-bonded Turntrans-106-10.8-171.2-65.5-9.6000112.7D45D45-N47 PolarHBondContact O-N 3.18Å
48A78Confident87.7Confident35 Ų3587.3 Ų87.329%0.28943%0.428SS..SBendtrans-74144.2175.600000112.3Y41 D45Y41-A48 HydrophobicContact CD1-CB 4.18Å; Y41-A48 HydrophobicContact CE1-CB 4.27Å; D45-A48 HydrophobicContact CB-CB 4.22Å; D45-A48 WeakPolarHBondContact OD1-CB 3.4Å; D45-A48 PolarHBondContact OD1-N 2.92Å; D45-A48 WeakPolarHBondContact OD2-CB 3.44Å
49T82.6Confident87.8Confident118 Ų11882.9 Ų82.972%0.72442%0.415SS*.PPolyproline II helixtrans-67130.9168.347.70000109.5D51T49-D51 PolarHBondContact O-N 2.94Å
50V85.2Confident87.9Confident69 Ų6978.3 Ų78.342%0.41839%0.394SS..PPolyproline II helixtrans-72.9117.2176.7-1780000108.8Q37 R38 Y41Q37-V50 HydrophobicContact CG-CG1 4.3Å; R38-V50 HydrophobicContact CG-CG1 4.17Å; R38-V50 HydrophobicContact CG-CG2 4.47Å; Y41-V50 HydrophobicContact CD2-CB 4.44Å; Y41-V50 HydrophobicContact CD2-CG1 4.01Å; Y41-V50 HydrophobicContact CD2-CG2 4.09Å; Y41-V50 HydrophobicContact CE2-CG1 4.13Å; Y41-V50 HydrophobicContact CG-CG2 4.08Å
51D86.1Confident88Confident78 Ų7879.4 Ų79.442%0.41740%0.399SS..PPolyproline II helixtrans-63.7159.1178-58.6-48.6000111.8Q37 Y41 T49 L53 F56Q37-D51 PolarHBondContact NE2-O 3.03Å; Y41-D51 PolarHBondContact OH-OD2 2.87Å; T49-D51 PolarHBondContact O-N 2.94Å; D51-L53 PolarHBondContact O-N 2.8Å; D51-F56 HydrophobicContact CB-CB 4.49Å
52K92.3Very high88.1Confident158 Ų15880.6 Ų80.669%0.68741%0.41SS*.PPolyproline II helixtrans-58.3142.4168.9-67.1-179.7180176.80109E54 D55 F56K52-E54 PolarHBondContact O-N 3.36Å; K52-D55 HydrophobicContact CB-CB 4.48Å; K52-D55 PolarHBondContact O-N 3.31Å; K52-D55 VanDerWaalsContact O-N 3.16Å; K52-F56 PolarHBondContact O-N 3.26Å
53L91.6Very high88.2Confident12 Ų1275.6 Ų75.66%0.06339%0.392CS..Hα-helixtrans-56.1-41.4-176.2178.265.1000112.1E30 V33 K34 D51 F56 I57 Y84E30-L53 HydrophobicContact CG-CD2 3.97Å; V33-L53 HydrophobicContact CB-CD2 4.48Å; V33-L53 HydrophobicContact CG1-CD1 3.66Å; V33-L53 HydrophobicContact CG1-CD2 4.14Å; K34-L53 HydrophobicContact CG-CB 4.25Å; K34-L53 HydrophobicContact CG-CD2 3.78Å; K34-L53 HydrophobicContact CG-CG 4.43Å; D51-L53 PolarHBondContact O-N 2.8Å; L53-F56 PolarHBondContact O-N 3.32Å; L53-I57 HydrophobicContact CD1-CD1 3.79Å; L53-I57 HydrophobicContact CD1-CG1 4.03Å; L53-I57 HydrophobicContact CD2-CD1 4.23Å; L53-I57 HydrophobicContact CG-CD1 3.76Å; L53-I57 HydrophobicContact CG-CG1 4.33Å; L53-I57 WeakPolarHBondContact O-CB 3.29Å; L53-I57 WeakPolarHBondContact O-CG1 3.19Å; L53-I57 PolarHBondContact O-N 3.22Å; L53-Y84 HydrophobicContact CD2-CE2 4.42Å
54E92.3Very high88.3Confident136 Ų13672.1 Ų72.164%0.63637%0.371SS*.Hα-helixtrans-62-47.2179.5-66.5176.6-176.700111.7K52 F56 I57 N58K52-E54 PolarHBondContact O-N 3.36Å; E54-F56 VanDerWaalsContact C-N 3.32Å; E54-F56 PolarHBondContact O-N 2.83Å; E54-I57 PolarHBondContact O-N 2.89Å; E54-N58 VanDerWaalsContact O-CB 3.31Å; E54-N58 WeakPolarHBondContact O-CB 3.2Å; E54-N58 PolarHBondContact O-N 3.24Å; E54-N58 PolarHBondContact O-ND2 3.46Å; E54-N58 VanDerWaalsContact O-ND2 3.11Å
55D92.9Very high88.5Confident94 Ų9471.8 Ų71.850%0.50337%0.369SS..Hα-helixtrans-62.7-41177.8-63.1-36.1000111.3K52 N58 N59K52-D55 HydrophobicContact CB-CB 4.48Å; K52-D55 PolarHBondContact O-N 3.31Å; K52-D55 VanDerWaalsContact O-N 3.16Å; D55-N58 PolarHBondContact O-N 2.9Å; D55-N59 WeakPolarHBondContact O-CB 3.5Å; D55-N59 PolarHBondContact O-N 3.23Å
56F93.5Very high89Confident1 Ų172.6 Ų72.60%0.00438%0.381CS..Hα-helixtrans-62.4-46.3176.2-179.6-96.7000112.3V14 H15 F18 Q37 Y41 D51 K52 L53 E54 N59 I60V14-F56 HydrophobicContact CG1-CE2 4.03Å; V14-F56 HydrophobicContact CG1-CZ 4.28Å; H15-F56 AromaticContact CD2-CD2 3.7Å; H15-F56 AromaticContact CD2-CE2 3.18Å; H15-F56 WeakPolarHBondContact CD2-CE2 3.27Å; H15-F56 AromaticContact CD2-CZ 3.6Å; H15-F56 AromaticContact NE2-CD2 3.58Å; H15-F56 AromaticContact NE2-CE2 3.41Å; H15-F56 WeakPolarHBondContact NE2-CE2 3.36Å; F18-F56 HydrophobicContact CB-CE1 4.25Å; F18-F56 HydrophobicContact CB-CZ 4.08Å; F18-F56 AromaticContact CD1-CE1 3.84Å; F18-F56 HydrophobicContact CD1-CE1 3.84Å; F18-F56 HydrophobicContact CD1-CZ 4.45Å; F18-F56 AromaticContact CD2-CE1 3.76Å; F18-F56 HydrophobicContact CD2-CE1 3.76Å; F18-F56 HydrophobicContact CD2-CZ 4.25Å; F18-F56 HydrophobicContact CE1-CE1 4.05Å; F18-F56 AromaticContact CE2-CE1 3.96Å; F18-F56 HydrophobicContact CE2-CE1 3.96Å; F18-F56 AromaticContact CG-CE1 3.68Å; F18-F56 HydrophobicContact CG-CE1 3.68Å; F18-F56 HydrophobicContact CG-CZ 4.02Å; F18-F56 HydrophobicContact CZ-CE1 4.09Å; Q37-F56 HydrophobicContact CG-CD1 4.03Å; Q37-F56 HydrophobicContact CG-CD2 4.3Å; Q37-F56 HydrophobicContact CG-CE1 4.08Å; Q37-F56 HydrophobicContact CG-CE2 4.34Å; Q37-F56 HydrophobicContact CG-CG 4.14Å; Q37-F56 HydrophobicContact CG-CZ 4.24Å; Y41-F56 HydrophobicContact CE2-CD2 4Å; Y41-F56 AromaticContact CE2-CE2 3.83Å; Y41-F56 HydrophobicContact CE2-CE2 3.83Å; Y41-F56 WeakPolarHBondContact OH-CD2 3.49Å; D51-F56 HydrophobicContact CB-CB 4.49Å; K52-F56 PolarHBondContact O-N 3.26Å; L53-F56 PolarHBondContact O-N 3.32Å; E54-F56 VanDerWaalsContact C-N 3.32Å; E54-F56 PolarHBondContact O-N 2.83Å; F56-N59 PolarHBondContact O-N 2.85Å; F56-I60 HydrophobicContact CD1-CD1 3.89Å; F56-I60 HydrophobicContact CE1-CD1 3.41Å; F56-I60 VanDerWaalsContact CE1-CD1 3.41Å; F56-I60 HydrophobicContact CZ-CD1 3.82Å; F56-I60 WeakPolarHBondContact O-CG1 3.13Å; F56-I60 PolarHBondContact O-N 3.33Å; F56-I60 VanDerWaalsContact O-N 3.17Å
57I94.6Very high89.6Confident11 Ų1167.6 Ų67.66%0.05637%0.37CS..Hα-helixtrans-66.9-43.6177.8-70.9175.3000110.7L53 E54 N59 I60 N61 I71 Y84L53-I57 HydrophobicContact CD1-CD1 3.79Å; L53-I57 HydrophobicContact CD1-CG1 4.03Å; L53-I57 HydrophobicContact CD2-CD1 4.23Å; L53-I57 HydrophobicContact CG-CD1 3.76Å; L53-I57 HydrophobicContact CG-CG1 4.33Å; L53-I57 WeakPolarHBondContact O-CB 3.29Å; L53-I57 WeakPolarHBondContact O-CG1 3.19Å; L53-I57 PolarHBondContact O-N 3.22Å; E54-I57 PolarHBondContact O-N 2.89Å; I57-N59 VanDerWaalsContact C-N 3.29Å; I57-N59 PolarHBondContact O-N 3.13Å; I57-I60 PolarHBondContact O-N 3Å; I57-I60 VanDerWaalsContact O-N 3.15Å; I57-N61 WeakPolarHBondContact O-CB 3.47Å; I57-N61 PolarHBondContact O-N 3.49Å; I57-I71 HydrophobicContact CD1-CG2 4.34Å; I57-I71 HydrophobicContact CG2-CB 4.04Å; I57-I71 HydrophobicContact CG2-CG2 4.11Å; I57-Y84 HydrophobicContact CD1-CD1 3.61Å; I57-Y84 HydrophobicContact CD1-CE1 3.37Å
58N94.3Very high90.3Very high101 Ų10168 Ų6854%0.5436%0.36SS..Hα-helixtrans-61.3-39.2178.2-72.4-27.8000111.7E54 D55 N61 S62E54-N58 VanDerWaalsContact O-CB 3.31Å; E54-N58 WeakPolarHBondContact O-CB 3.2Å; E54-N58 PolarHBondContact O-N 3.24Å; E54-N58 PolarHBondContact O-ND2 3.46Å; E54-N58 VanDerWaalsContact O-ND2 3.11Å; D55-N58 PolarHBondContact O-N 2.9Å; N58-N61 PolarHBondContact O-N 3.15Å; N58-S62 PolarHBondContact O-N 3.43Å
59N94.1Very high90.9Very high43 Ų4368.2 Ų68.223%0.2336%0.356CS..Hα-helixtrans-59.5-48.9173-17945.1000111.3G9 V10 H15 D55 F56 I57 S62G9-N59 WeakPolarHBondContact CA-OD1 3.44Å; V10-N59 PolarHBondContact N-OD1 3.1Å; V10-N59 VanDerWaalsContact N-OD1 3.09Å; V10-N59 PolarHBondContact O-ND2 3.14Å; H15-N59 PolarHBondContact CE1-ND2 3.24Å; H15-N59 PolarHBondContact NE2-ND2 2.8Å; D55-N59 WeakPolarHBondContact O-CB 3.5Å; D55-N59 PolarHBondContact O-N 3.23Å; F56-N59 PolarHBondContact O-N 2.85Å; I57-N59 VanDerWaalsContact C-N 3.29Å; I57-N59 PolarHBondContact O-N 3.13Å; N59-S62 PolarHBondContact O-N 3.14Å; N59-S62 PolarHBondContact O-OG 2.97Å
60I94.4Very high91.4Very high0 Ų065.3 Ų65.30%034%0.335CS..Hα-helixtrans-61.5-49.7177.9-64.6170.5000110.9H15 F18 L19 F56 I57 S62 V63 L64 I71H15-I60 HydrophobicContact CB-CD1 4.25Å; H15-I60 HydrophobicContact CB-CG1 4.06Å; H15-I60 VanDerWaalsContact CD2-CG1 3.48Å; H15-I60 WeakPolarHBondContact CD2-CG1 3.38Å; F18-I60 HydrophobicContact CD1-CD1 3.82Å; F18-I60 HydrophobicContact CE1-CD1 4.14Å; L19-I60 HydrophobicContact CD1-CG2 4.04Å; L19-I60 HydrophobicContact CD2-CG2 3.99Å; L19-I60 HydrophobicContact CG-CG2 4.2Å; F56-I60 HydrophobicContact CD1-CD1 3.89Å; F56-I60 HydrophobicContact CE1-CD1 3.41Å; F56-I60 VanDerWaalsContact CE1-CD1 3.41Å; F56-I60 HydrophobicContact CZ-CD1 3.82Å; F56-I60 WeakPolarHBondContact O-CG1 3.13Å; F56-I60 PolarHBondContact O-N 3.33Å; F56-I60 VanDerWaalsContact O-N 3.17Å; I57-I60 PolarHBondContact O-N 3Å; I57-I60 VanDerWaalsContact O-N 3.15Å; I60-S62 PolarHBondContact O-N 3.29Å; I60-V63 WeakPolarHBondContact O-CB 3.34Å; I60-V63 PolarHBondContact O-N 3.43Å; I60-L64 HydrophobicContact CG2-CD1 3.59Å; I60-L64 HydrophobicContact CG2-CG 3.89Å; I60-L64 WeakPolarHBondContact O-CG 3.4Å; I60-L64 PolarHBondContact O-N 2.9Å; I60-I71 HydrophobicContact CB-CD1 4.05Å; I60-I71 HydrophobicContact CD1-CD1 3.98Å; I60-I71 HydrophobicContact CG2-CD1 3.67Å
61N94.8Very high91.9Very high23 Ų2362.2 Ų62.212%0.12332%0.316CS..Hα-helixtrans-58.6-38.2-177.4-76.8-8.5000111.5I57 N58 V63 L64 E65 I71I57-N61 WeakPolarHBondContact O-CB 3.47Å; I57-N61 PolarHBondContact O-N 3.49Å; N58-N61 PolarHBondContact O-N 3.15Å; N61-V63 PolarHBondContact O-N 3.42Å; N61-V63 VanDerWaalsContact O-N 3.16Å; N61-L64 CarbonylContact O-C 3.59Å; N61-L64 PolarHBondContact O-N 3.01Å; N61-E65 WeakPolarHBondContact O-CG 3.22Å; N61-E65 PolarHBondContact O-N 3.05Å; N61-I71 PolarHBondContact ND2-O 3.35Å; N61-I71 WeakPolarHBondContact OD1-CB 3.36Å; N61-I71 PolarHBondContact OD1-N 2.89Å
62S93.8Very high92.2Very high40 Ų4061.6 Ų61.628%0.2831%0.309SS..Hα-helixtrans-59.3-28.1175.877.50000114.1G9 N58 N59 I60G9-S62 VanDerWaalsContact CA-OG 3.28Å; G9-S62 WeakPolarHBondContact CA-OG 3.31Å; G9-S62 PolarHBondContact N-OG 3.46Å; N58-S62 PolarHBondContact O-N 3.43Å; N59-S62 PolarHBondContact O-N 3.14Å; N59-S62 PolarHBondContact O-OG 2.97Å; I60-S62 PolarHBondContact O-N 3.29Å
63V93.2Very high92.4Very high45 Ų4560.4 Ų60.427%0.27330%0.3SS..Hα-helixtrans-83-40175.2-177.50000110.5G9 M11 I60 N61 E65 S66G9-V63 VanDerWaalsContact O-CG2 3.3Å; G9-V63 WeakPolarHBondContact O-CG2 3.36Å; M11-V63 HydrophobicContact CB-CG1 4.47Å; M11-V63 HydrophobicContact CB-CG2 4.5Å; I60-V63 WeakPolarHBondContact O-CB 3.34Å; I60-V63 PolarHBondContact O-N 3.43Å; N61-V63 PolarHBondContact O-N 3.42Å; N61-V63 VanDerWaalsContact O-N 3.16Å; V63-E65 VanDerWaalsContact C-N 3.28Å; V63-E65 PolarHBondContact O-N 3.31Å; V63-S66 PolarHBondContact O-OG 2.84Å
64L91.8Very high92.5Very high10 Ų1060.3 Ų60.35%0.05230%0.303CS..Hα-helixtrans-72.3-16.8-179.3-62.7-177.5000114L19 I60 N61 S66 L67 Y68 I69 I71 L86L19-L64 HydrophobicContact CD1-CD1 4.37Å; L19-L64 HydrophobicContact CD1-CD2 4.07Å; L19-L64 HydrophobicContact CD2-CD1 4.15Å; I60-L64 HydrophobicContact CG2-CD1 3.59Å; I60-L64 HydrophobicContact CG2-CG 3.89Å; I60-L64 WeakPolarHBondContact O-CG 3.4Å; I60-L64 PolarHBondContact O-N 2.9Å; N61-L64 CarbonylContact O-C 3.59Å; N61-L64 PolarHBondContact O-N 3.01Å; L64-S66 PolarHBondContact O-N 2.64Å; L64-S66 VanDerWaalsContact O-N 3.13Å; L64-L67 HydrophobicContact CD2-CD1 4.24Å; L64-L67 WeakPolarHBondContact O-CA 3.44Å; L64-L67 WeakPolarHBondContact O-CB 3.34Å; L64-L67 PolarHBondContact O-N 3.29Å; L64-Y68 PolarHBondContact O-N 3.32Å; L64-I69 CarbonylContact C-O 3.54Å; L64-I69 HydrophobicContact CB-CG1 3.98Å; L64-I69 WeakPolarHBondContact CB-O 3.1Å; L64-I69 HydrophobicContact CD1-CG1 4.28Å; L64-I69 HydrophobicContact CD2-CD1 4.16Å; L64-I69 HydrophobicContact CD2-CG1 4.19Å; L64-I69 HydrophobicContact CG-CG1 4.39Å; L64-I71 HydrophobicContact CD1-CG1 4.45Å; L64-L86 HydrophobicContact CD1-CD1 3.82Å
65E88.4Confident92.6Very high86 Ų8657.4 Ų57.440%0.40229%0.294SS..G310 helixtrans-50-38.4173.4-80.3-178.4-158.700112.1R6 N61 V63 L67 Y68R6-E65 IonicContact CZ-OE1 2.67Å; R6-E65 IonicContact CZ-OE2 2.96Å; R6-E65 VanDerWaalsContact CZ-OE2 3.29Å; R6-E65 IonicContact NH1-OE1 2.77Å; R6-E65 IonicContact NH1-OE2 2.81Å; R6-E65 PolarHBondContact NH1-OE2 3.16Å; R6-E65 IonicContact NH2-OE1 3.74Å; R6-E65 IonicContact NH2-OE2 3.86Å; N61-E65 WeakPolarHBondContact O-CG 3.22Å; N61-E65 PolarHBondContact O-N 3.05Å; V63-E65 VanDerWaalsContact C-N 3.28Å; V63-E65 PolarHBondContact O-N 3.31Å; E65-L67 PolarHBondContact O-N 2.97Å; E65-Y68 PolarHBondContact O-N 2.87Å; E65-Y68 VanDerWaalsContact O-N 3.14Å
66S88.3Confident92.7Very high93 Ų9353.8 Ų53.865%0.6528%0.275SS*.G310 helixtrans-64.7-20.4177.963.60000114.4V63 L64V63-S66 PolarHBondContact O-OG 2.84Å; L64-S66 PolarHBondContact O-N 2.64Å; L64-S66 VanDerWaalsContact O-N 3.13Å
67L87.5Confident92.7Very high109 Ų10954.4 Ų54.457%0.57128%0.278SS*.G310 helixtrans-102.42.2179.5-60.3178.4000112.3L64 E65 I69L64-L67 HydrophobicContact CD2-CD1 4.24Å; L64-L67 WeakPolarHBondContact O-CA 3.44Å; L64-L67 WeakPolarHBondContact O-CB 3.34Å; L64-L67 PolarHBondContact O-N 3.29Å; E65-L67 PolarHBondContact O-N 2.97Å; L67-I69 HydrophobicContact CB-CD1 4.13Å; L67-I69 HydrophobicContact CB-CG1 3.97Å; L67-I69 HydrophobicContact CD1-CD1 4.2Å; L67-I69 PolarHBondContact O-N 3.21Å
68Y87.9Confident92.5Very high165 Ų16556.1 Ų56.165%0.64729%0.288SS*.THydrogen-bonded Turntrans53.535.5-174.8-60.4-90.8000113L64 E65 N88 L89L64-Y68 PolarHBondContact O-N 3.32Å; E65-Y68 PolarHBondContact O-N 2.87Å; E65-Y68 VanDerWaalsContact O-N 3.14Å; Y68-N88 PolarHBondContact O-OD1 2.96Å; Y68-N88 VanDerWaalsContact O-OD1 3.1Å; Y68-L89 WeakPolarHBondContact O-CB 3.36Å; Y68-L89 PolarHBondContact O-N 2.91Å
69I89.7Confident92.3Very high40 Ų4054 Ų5421%0.20528%0.276CS..EExtended strand (participates in β ladder)trans-127.8153.2173.466.4-174000109.2L64 L67 L86 V87 N88L64-I69 CarbonylContact C-O 3.54Å; L64-I69 HydrophobicContact CB-CG1 3.98Å; L64-I69 WeakPolarHBondContact CB-O 3.1Å; L64-I69 HydrophobicContact CD1-CG1 4.28Å; L64-I69 HydrophobicContact CD2-CD1 4.16Å; L64-I69 HydrophobicContact CD2-CG1 4.19Å; L64-I69 HydrophobicContact CG-CG1 4.39Å; L67-I69 HydrophobicContact CB-CD1 4.13Å; L67-I69 HydrophobicContact CB-CG1 3.97Å; L67-I69 HydrophobicContact CD1-CD1 4.2Å; L67-I69 PolarHBondContact O-N 3.21Å; I69-L86 HydrophobicContact CD1-CD1 4.49Å; I69-L86 HydrophobicContact CD1-CD2 4.39Å; I69-V87 CarbonylContact C-O 3.55Å; I69-V87 VanDerWaalsContact CA-O 3.28Å; I69-V87 WeakPolarHBondContact CA-O 3.39Å; I69-V87 WeakPolarHBondContact CB-O 3.49Å; I69-N88 HydrophobicContact CG2-CB 4.38Å
70E93.4Very high92.2Very high58 Ų5852.4 Ų52.427%0.27127%0.27SS..EExtended strand (participates in β ladder)trans-145.3152.9177.266.7173.5-171.900111.7K72 V87 L89E70-K72 HydrophobicContact CG-CB 4.27Å; E70-K72 PolarHBondContact O-N 2.88Å; E70-V87 PolarHBondContact N-O 3.47Å; E70-V87 PolarHBondContact O-N 3.36Å; E70-L89 HydrophobicContact CG-CD2 3.82Å; E70-L89 HydrophobicContact CG-CG 4.25Å
71I95.1Very high92.2Very high4 Ų454.9 Ų54.92%0.02128%0.279CS..EExtended strand (participates in β ladder)trans-78.2106.6162.2-58.5162.8000106.5F18 L19 L22 I57 I60 N61 L64 Y84 A85 L86F18-I71 HydrophobicContact CE1-CD1 3.87Å; L19-I71 HydrophobicContact CD2-CD1 3.84Å; L19-I71 HydrophobicContact CD2-CG1 4.11Å; L22-I71 HydrophobicContact CD2-CD1 4.35Å; L22-I71 HydrophobicContact CD2-CG1 3.95Å; L22-I71 HydrophobicContact CD2-CG2 4.12Å; I57-I71 HydrophobicContact CD1-CG2 4.34Å; I57-I71 HydrophobicContact CG2-CB 4.04Å; I57-I71 HydrophobicContact CG2-CG2 4.11Å; I60-I71 HydrophobicContact CB-CD1 4.05Å; I60-I71 HydrophobicContact CD1-CD1 3.98Å; I60-I71 HydrophobicContact CG2-CD1 3.67Å; N61-I71 PolarHBondContact ND2-O 3.35Å; N61-I71 WeakPolarHBondContact OD1-CB 3.36Å; N61-I71 PolarHBondContact OD1-N 2.89Å; L64-I71 HydrophobicContact CD1-CG1 4.45Å; I71-Y84 HydrophobicContact CG2-CD1 4.09Å; I71-A85 WeakPolarHBondContact CA-O 3.27Å; I71-L86 HydrophobicContact CG1-CD1 3.99Å
72K93.4Very high92.2Very high64 Ų6454.5 Ų54.528%0.27828%0.278SS..EExtended strand (participates in β ladder)trans-98.9134.6-178.3-165.7172.7176.7-176.20110.3E70 Y84 A85 V87 L174E70-K72 HydrophobicContact CG-CB 4.27Å; E70-K72 PolarHBondContact O-N 2.88Å; K72-Y84 WeakPolarHBondContact O-CA 3.42Å; K72-A85 PolarHBondContact N-O 2.82Å; K72-A85 PolarHBondContact O-N 3.32Å; K72-V87 HydrophobicContact CB-CB 4.12Å; K72-V87 HydrophobicContact CB-CG2 3.72Å; K72-V87 HydrophobicContact CD-CG1 4.44Å; K72-V87 HydrophobicContact CD-CG2 4.27Å; K72-L174 HydrophobicContact CB-CD2 4.39Å; K72-L174 HydrophobicContact CD-CD2 3.83Å; K72-L174 HydrophobicContact CG-CD2 3.9Å
73R94.9Very high92.3Very high133 Ų13352.9 Ų52.950%0.50227%0.266SS..EExtended strand (participates in β ladder)trans-86.2130.7169.6-174.5-177.3-179.5-78.92109.3I83 Y84R73-I83 CarbonylContact C-O 3.55Å; R73-I83 WeakPolarHBondContact CA-O 3.36Å; R73-Y84 HydrophobicContact CB-CD1 4.07Å; R73-Y84 HydrophobicContact CB-CE1 3.66Å; R73-Y84 WeakPolarHBondContact CD-OH 3.26Å; R73-Y84 HydrophobicContact CG-CD1 4.43Å; R73-Y84 HydrophobicContact CG-CE1 3.82Å; R73-Y84 HydrophobicContact CG-CE2 4.24Å
74G94.1Very high92.4Very high11 Ų1151.2 Ų51.211%0.11326%0.255CS..EExtended strand (participates in β ladder)trans-126.5175.6170.700000112P82 I83G74-P82 WeakPolarHBondContact O-CA 3.31Å; G74-I83 PolarHBondContact N-O 2.9Å; G74-I83 PolarHBondContact O-N 3.33Å
75V94.7Very high92.5Very high75 Ų7550.7 Ų50.746%0.45525%0.252SS..EExtended strand (participates in β ladder)trans-124.3139.8169.8-66.10000108.3R81V75-R81 WeakPolarHBondContact CA-O 3.43Å
76T94.6Very high92.7Very high18 Ų1847.3 Ų47.311%0.1124%0.237CC..  trans-66.8146.117354.30000110.2D78 D79 G80 R81 I83 P214T76-D78 VanDerWaalsContact CB-OD1 3.3Å; T76-D78 WeakPolarHBondContact CB-OD1 2.94Å; T76-D78 PolarHBondContact OG1-OD1 2.95Å; T76-D79 PolarHBondContact OG1-OD1 3.21Å; T76-G80 WeakPolarHBondContact O-CA 3.45Å; T76-G80 PolarHBondContact O-N 3.26Å; T76-G80 PolarHBondContact OG1-N 3.46Å; T76-G80 VanDerWaalsContact OG1-N 3.14Å; T76-R81 HydrophobicContact CG2-CB 4.19Å; T76-R81 PolarHBondContact N-O 3.43Å; T76-R81 PolarHBondContact OG1-N 2.83Å; T76-I83 HydrophobicContact CG2-CD1 4.28Å; T76-I83 HydrophobicContact CG2-CG2 3.91Å; T76-P214 WeakPolarHBondContact O-CG 3.41Å
77E93.1Very high92.7Very high13 Ų1343.2 Ų43.26%0.06121%0.208CC..THydrogen-bonded Turntrans-80.1-16.6-177.5-66.4-167.415600113.7I173 L198 I199 Q200 H212 P214E77-I173 HydrophobicContact CG-CD1 4.1Å; E77-L198 WeakPolarHBondContact OE1-CA 3.47Å; E77-I199 PolarHBondContact OE1-N 3.22Å; E77-I199 WeakPolarHBondContact OE2-CA 3.3Å; E77-I199 VanDerWaalsContact OE2-CB 3.24Å; E77-I199 WeakPolarHBondContact OE2-CB 3.43Å; E77-I199 PolarHBondContact OE2-N 3.48Å; E77-I199 VanDerWaalsContact OE2-N 3.12Å; E77-Q200 HydrophobicContact CB-CG 3.71Å; E77-Q200 PolarHBondContact OE2-N 2.92Å; E77-H212 IonicContact OE1-CD2 3.54Å; E77-H212 PolarHBondContact OE1-CD2 3.44Å; E77-H212 IonicContact OE1-NE2 3.29Å; E77-H212 PolarHBondContact OE1-NE2 3.21Å; E77-P214 WeakPolarHBondContact O-CD 3.49Å
78D91.3Very high92.6Very high48 Ų4840.7 Ų40.726%0.25720%0.195SC..THydrogen-bonded Turntrans-87.2-49.6-178.455.9-17.3000113.1T76 K162 L213T76-D78 VanDerWaalsContact CB-OD1 3.3Å; T76-D78 WeakPolarHBondContact CB-OD1 2.94Å; T76-D78 PolarHBondContact OG1-OD1 2.95Å; D78-K162 IonicContact OD2-NZ 2.91Å; D78-K162 PolarHBondContact OD2-NZ 2.95Å; D78-L213 WeakPolarHBondContact O-CD2 3.4Å
79D89.9Confident92.1Very high56 Ų5636.6 Ų36.630%0.29918%0.184SC..THydrogen-bonded Turntrans-127.7-1.5-175.569.6-5000115.2T76 R81 F243T76-D79 PolarHBondContact OG1-OD1 3.21Å; D79-R81 WeakPolarHBondContact OD1-CG 3.35Å; D79-R81 PolarHBondContact OD1-N 3.31Å; D79-R81 IonicContact OD1-NE 3.32Å; D79-R81 WeakPolarHBondContact OD2-CD 3.24Å; D79-R81 IonicContact OD2-CZ 3.61Å; D79-R81 IonicContact OD2-NE 3.03Å; D79-R81 PolarHBondContact OD2-NE 3.31Å; D79-R81 IonicContact OD2-NH2 3.03Å; D79-R81 PolarHBondContact OD2-NH2 3.23Å; D79-F243 WeakPolarHBondContact O-CB 3.3Å
80G93Very high91.2Very high9 Ų936.6 Ų36.69%0.09319%0.19CC..  trans78.216.3174.200000115T76T76-G80 WeakPolarHBondContact O-CA 3.45Å; T76-G80 PolarHBondContact O-N 3.26Å; T76-G80 PolarHBondContact OG1-N 3.46Å; T76-G80 VanDerWaalsContact OG1-N 3.14Å
81R93.5Very high89.6Confident53 Ų5337 Ų3720%0.220%0.196CC..  trans-58.2132.7173-77.7177.7-156.7-106.1-14111.2E29 V75 T76 D79 I83 F243 E248E29-R81 IonicContact OE2-NH1 2.82Å; V75-R81 WeakPolarHBondContact CA-O 3.43Å; T76-R81 HydrophobicContact CG2-CB 4.19Å; T76-R81 PolarHBondContact N-O 3.43Å; T76-R81 PolarHBondContact OG1-N 2.83Å; D79-R81 WeakPolarHBondContact OD1-CG 3.35Å; D79-R81 PolarHBondContact OD1-N 3.31Å; D79-R81 IonicContact OD1-NE 3.32Å; D79-R81 WeakPolarHBondContact OD2-CD 3.24Å; D79-R81 IonicContact OD2-CZ 3.61Å; D79-R81 IonicContact OD2-NE 3.03Å; D79-R81 PolarHBondContact OD2-NE 3.31Å; D79-R81 IonicContact OD2-NH2 3.03Å; D79-R81 PolarHBondContact OD2-NH2 3.23Å; R81-I83 PolarHBondContact O-N 3.48Å; R81-F243 HydrophobicContact CB-CE2 4.36Å; R81-F243 HydrophobicContact CG-CD2 3.87Å; R81-F243 HydrophobicContact CG-CE2 3.35Å; R81-F243 HydrophobicContact CG-CZ 3.79Å; R81-E248 IonicContact CZ-OE1 3.36Å; R81-E248 IonicContact CZ-OE2 2.82Å; R81-E248 IonicContact NH1-OE2 3.21Å; R81-E248 PolarHBondContact NH1-OE2 3.04Å; R81-E248 IonicContact NH2-OE1 2.95Å; R81-E248 PolarHBondContact NH2-OE1 3.14Å; R81-E248 IonicContact NH2-OE2 3.24Å; R81-E248 PolarHBondContact NH2-OE2 3.12Å
82P94.6Very high88Confident14 Ų1440.7 Ų40.79%0.09122%0.219CC..EExtended strand (participates in β ladder)trans-73.2124.7173.929.2-33.4000110.9E29 E30 G74 F243E29-P82 CarbonylContact C-O 3.56Å; E29-P82 WeakPolarHBondContact CA-O 3.4Å; E30-P82 HydrophobicContact CB-CB 4.01Å; E30-P82 HydrophobicContact CB-CG 3.6Å; E30-P82 PolarHBondContact N-O 2.87Å; E30-P82 WeakPolarHBondContact OE2-CB 3.45Å; E30-P82 VanDerWaalsContact OE2-CG 3.27Å; E30-P82 WeakPolarHBondContact OE2-CG 3.38Å; G74-P82 WeakPolarHBondContact O-CA 3.31Å; P82-F243 VanDerWaalsContact CD-CE1 3.46Å; P82-F243 HydrophobicContact CG-CE1 4.3Å
83I95.8Very high86.3Confident7 Ų737.9 Ų37.94%0.03621%0.208CC..EExtended strand (participates in β ladder)trans-122.3152.3179.256.2167.6000111V27 L28 E29 R73 G74 T76 R81 L174V27-I83 HydrophobicContact CG2-CB 3.87Å; V27-I83 HydrophobicContact CG2-CD1 4.16Å; V27-I83 HydrophobicContact CG2-CG1 4.48Å; V27-I83 HydrophobicContact CG2-CG2 4.45Å; L28-I83 CarbonylContact O-C 3.51Å; L28-I83 WeakPolarHBondContact O-CA 3.31Å; E29-I83 HydrophobicContact CG-CG2 4.25Å; R73-I83 CarbonylContact C-O 3.55Å; R73-I83 WeakPolarHBondContact CA-O 3.36Å; G74-I83 PolarHBondContact N-O 2.9Å; G74-I83 PolarHBondContact O-N 3.33Å; T76-I83 HydrophobicContact CG2-CD1 4.28Å; T76-I83 HydrophobicContact CG2-CG2 3.91Å; R81-I83 PolarHBondContact O-N 3.48Å; I83-L174 HydrophobicContact CD1-CD1 3.89Å; I83-L174 HydrophobicContact CG1-CD1 4.05Å
84Y96.1Very high84.7Confident9 Ų933.2 Ų33.24%0.03519%0.192CC..EExtended strand (participates in β ladder)trans-129132.5178.3-65.7-99.7000109.9V27 L28 E30 V33 L53 I57 I71 K72 R73V27-Y84 WeakPolarHBondContact CA-O 3.47Å; V27-Y84 WeakPolarHBondContact CG2-O 3.18Å; L28-Y84 PolarHBondContact N-O 3.17Å; L28-Y84 PolarHBondContact O-N 3.38Å; E30-Y84 HydrophobicContact CB-CD2 4.41Å; E30-Y84 HydrophobicContact CB-CE2 3.72Å; E30-Y84 HydrophobicContact CG-CE2 3.75Å; V33-Y84 HydrophobicContact CB-CD2 4.42Å; V33-Y84 HydrophobicContact CG2-CD2 3.79Å; V33-Y84 HydrophobicContact CG2-CG 4.03Å; L53-Y84 HydrophobicContact CD2-CE2 4.42Å; I57-Y84 HydrophobicContact CD1-CD1 3.61Å; I57-Y84 HydrophobicContact CD1-CE1 3.37Å; I71-Y84 HydrophobicContact CG2-CD1 4.09Å; K72-Y84 WeakPolarHBondContact O-CA 3.42Å; R73-Y84 HydrophobicContact CB-CD1 4.07Å; R73-Y84 HydrophobicContact CB-CE1 3.66Å; R73-Y84 WeakPolarHBondContact CD-OH 3.26Å; R73-Y84 HydrophobicContact CG-CD1 4.43Å; R73-Y84 HydrophobicContact CG-CE1 3.82Å; R73-Y84 HydrophobicContact CG-CE2 4.24Å
85A93.4Very high83.2Confident0 Ų035.3 Ų35.30%021%0.205CC..EExtended strand (participates in β ladder)trans-138155175.500000110.1V27 I71 K72 V87 R171 L174V27-A85 HydrophobicContact CB-CB 4.29Å; V27-A85 HydrophobicContact CG2-CB 4.23Å; I71-A85 WeakPolarHBondContact CA-O 3.27Å; K72-A85 PolarHBondContact N-O 2.82Å; K72-A85 PolarHBondContact O-N 3.32Å; A85-V87 HydrophobicContact CB-CG2 4.37Å; A85-V87 PolarHBondContact O-N 3.48Å; A85-R171 HydrophobicContact CB-CG 4.47Å; A85-L174 HydrophobicContact CB-CD1 4.14Å
86L92.1Very high82Confident15 Ų1534.8 Ų34.88%0.07920%0.197CC..EExtended strand (participates in β ladder)trans-85108.3170.4-171.971.7000108.8L19 L22 M23 L64 I69 I71 K96L19-L86 HydrophobicContact CD2-CD1 4.23Å; L22-L86 HydrophobicContact CD2-CB 4.45Å; M23-L86 HydrophobicContact CE-CD2 4.43Å; M23-L86 HydrophobicContact CG-CD2 3.64Å; M23-L86 HydrophobicContact SD-CD2 3.88Å; L64-L86 HydrophobicContact CD1-CD1 3.82Å; I69-L86 HydrophobicContact CD1-CD1 4.49Å; I69-L86 HydrophobicContact CD1-CD2 4.39Å; I71-L86 HydrophobicContact CG1-CD1 3.99Å; L86-K96 PolarHBondContact O-NZ 2.9Å
87V89.4Confident81Confident6 Ų633.9 Ų33.94%0.03619%0.191CC..EExtended strand (participates in β ladder)trans-106.5143.3-172.3175.70000109.9I69 E70 K72 A85 L174 E175I69-V87 CarbonylContact C-O 3.55Å; I69-V87 VanDerWaalsContact CA-O 3.28Å; I69-V87 WeakPolarHBondContact CA-O 3.39Å; I69-V87 WeakPolarHBondContact CB-O 3.49Å; E70-V87 PolarHBondContact N-O 3.47Å; E70-V87 PolarHBondContact O-N 3.36Å; K72-V87 HydrophobicContact CB-CB 4.12Å; K72-V87 HydrophobicContact CB-CG2 3.72Å; K72-V87 HydrophobicContact CD-CG1 4.44Å; K72-V87 HydrophobicContact CD-CG2 4.27Å; A85-V87 HydrophobicContact CB-CG2 4.37Å; A85-V87 PolarHBondContact O-N 3.48Å; V87-L174 VanDerWaalsContact CG1-O 3.31Å; V87-L174 WeakPolarHBondContact CG1-O 3.06Å; V87-L174 HydrophobicContact CG2-CB 4.01Å; V87-E175 HydrophobicContact CG2-CG 4.28Å
88N84.3Confident80Confident57 Ų5735.7 Ų35.731%0.30521%0.208SC..EExtended strand (participates in β ladder)trans-87.9130.3170.6-166.6-8.8000109.8Y68 I69 A90Y68-N88 PolarHBondContact O-OD1 2.96Å; Y68-N88 VanDerWaalsContact O-OD1 3.1Å; I69-N88 HydrophobicContact CG2-CB 4.38Å; N88-A90 VanDerWaalsContact C-N 3.3Å; N88-A90 WeakPolarHBondContact OD1-CB 3.28Å; N88-A90 PolarHBondContact OD1-N 2.97Å
89L77.8Confident79.3Confident78 Ų7839.1 Ų39.141%0.40823%0.231SC..  trans-81.5-12.4176.6-60.8173.1000112.2Y68 E70Y68-L89 WeakPolarHBondContact O-CB 3.36Å; Y68-L89 PolarHBondContact O-N 2.91Å; E70-L89 HydrophobicContact CG-CD2 3.82Å; E70-L89 HydrophobicContact CG-CG 4.25Å
90A71.3Confident78.9Confident40 Ų4040.7 Ų40.733%0.33124%0.239SC..SBendtrans-72.3142.6172.700000111.3N88 T92N88-A90 VanDerWaalsContact C-N 3.3Å; N88-A90 WeakPolarHBondContact OD1-CB 3.28Å; N88-A90 PolarHBondContact OD1-N 2.97Å; A90-T92 PolarHBondContact O-N 2.85Å; A90-T92 VanDerWaalsContact O-N 3.14Å
91T59.3Low78.7Confident67 Ų6740.9 Ų40.941%0.41124%0.238SC..SBendtrans-68-16.2-170.867.10000114S93T91-S93 PolarHBondContact O-N 3.21Å
92T61.2Low78.5Confident81 Ų8140.6 Ų40.650%0.49725%0.247SC..  trans-93.653-179.162.50000112.4A90 I94 S95A90-T92 PolarHBondContact O-N 2.85Å; A90-T92 VanDerWaalsContact O-N 3.14Å; T92-I94 PolarHBondContact O-N 2.72Å; T92-I94 VanDerWaalsContact O-N 3.13Å; T92-S95 WeakPolarHBondContact O-CB 3.25Å; T92-S95 PolarHBondContact O-N 3.13Å; T92-S95 PolarHBondContact O-OG 3.05Å
93S57.8Low78.3Confident6 Ų645.8 Ų45.84%0.04227%0.27CS..THydrogen-bonded Turntrans-70.5-8.3-172.157.20000115.8T91 S95 K96 E175 M176T91-S93 PolarHBondContact O-N 3.21Å; S93-S95 PolarHBondContact O-N 3.14Å; S93-S95 VanDerWaalsContact O-N 3.14Å; S93-K96 PolarHBondContact O-N 2.82Å; S93-E175 WeakPolarHBondContact CB-O 3.48Å; S93-E175 PolarHBondContact OG-O 2.96Å; S93-M176 WeakPolarHBondContact OG-CA 3.48Å
94I62.3Low78.2Confident35 Ų3545.9 Ų45.918%0.17927%0.27CS..Hα-helixtrans-61.3-19.9169.9-157.9164.2000112.6T92 K96 M97 A98 R110 M176T92-I94 PolarHBondContact O-N 2.72Å; T92-I94 VanDerWaalsContact O-N 3.13Å; I94-K96 PolarHBondContact O-N 3.21Å; I94-K96 VanDerWaalsContact O-N 3.15Å; I94-M97 PolarHBondContact O-N 3.12Å; I94-A98 WeakPolarHBondContact O-CB 3.24Å; I94-A98 PolarHBondContact O-N 3.12Å; I94-R110 HydrophobicContact CD1-CG 4.35Å; I94-M176 HydrophobicContact CG1-CE 4.39Å
95S62.7Low78.1Confident55 Ų5546.7 Ų46.739%0.38528%0.275SS..Hα-helixtrans-56-31.8-179-56.70000113.8T92 S93 A98 T99T92-S95 WeakPolarHBondContact O-CB 3.25Å; T92-S95 PolarHBondContact O-N 3.13Å; T92-S95 PolarHBondContact O-OG 3.05Å; S93-S95 PolarHBondContact O-N 3.14Å; S93-S95 VanDerWaalsContact O-N 3.14Å; S95-A98 PolarHBondContact O-N 3.03Å; S95-T99 PolarHBondContact O-N 3.28Å; S95-T99 PolarHBondContact O-OG1 3.23Å
96K69.5Low78Confident63 Ų6347.5 Ų47.527%0.27428%0.279SS..Hα-helixtrans-71.1-47.9-178.2-156.7-179.2-171.3177.60111.3L86 S93 I94 A98 T99 E175L86-K96 PolarHBondContact O-NZ 2.9Å; S93-K96 PolarHBondContact O-N 2.82Å; I94-K96 PolarHBondContact O-N 3.21Å; I94-K96 VanDerWaalsContact O-N 3.15Å; K96-A98 VanDerWaalsContact C-N 3.27Å; K96-A98 PolarHBondContact O-N 2.68Å; K96-T99 PolarHBondContact O-N 2.89Å; K96-E175 WeakPolarHBondContact CD-OE2 3.47Å; K96-E175 IonicContact NZ-OE1 3.87Å; K96-E175 PolarHBondContact NZ-OE1 3.11Å; K96-E175 IonicContact NZ-OE2 2.67Å; K96-E175 PolarHBondContact NZ-OE2 3.17Å
97M73.6Confident78Confident0 Ų047 Ų470%028%0.276CS..Hα-helixtrans-62.7-38170.3-68.4-169.373.800111.2I94 T99 D100 F101 L106 F109 F153 W158 M176I94-M97 PolarHBondContact O-N 3.12Å; M97-T99 PolarHBondContact O-N 2.88Å; M97-T99 VanDerWaalsContact O-N 3.07Å; M97-D100 PolarHBondContact O-N 3.48Å; M97-F101 HydrophobicContact CB-CD2 4.21Å; M97-F101 HydrophobicContact CE-CD2 4.17Å; M97-F101 HydrophobicContact CE-CE2 4.05Å; M97-F101 WeakPolarHBondContact O-CD2 3.47Å; M97-F101 PolarHBondContact O-N 2.81Å; M97-F101 VanDerWaalsContact O-N 3.07Å; M97-L106 HydrophobicContact CB-CD2 3.76Å; M97-F109 HydrophobicContact CE-CB 4.23Å; M97-F109 HydrophobicContact CE-CD1 3.93Å; M97-F109 HydrophobicContact CE-CD2 3.7Å; M97-F109 HydrophobicContact CE-CE1 4.2Å; M97-F109 HydrophobicContact CE-CE2 3.98Å; M97-F109 HydrophobicContact CE-CG 3.66Å; M97-F109 HydrophobicContact CE-CZ 4.22Å; M97-F109 HydrophobicContact SD-CD1 3.82Å; M97-F109 HydrophobicContact SD-CD2 4.4Å; M97-F109 HydrophobicContact SD-CE1 3.65Å; M97-F109 HydrophobicContact SD-CE2 4.25Å; M97-F109 HydrophobicContact SD-CG 4.19Å; M97-F109 HydrophobicContact SD-CZ 3.88Å; M97-F153 HydrophobicContact CE-CD1 3.88Å; M97-F153 HydrophobicContact CE-CE1 3.71Å; M97-W158 HydrophobicContact CE-CB 4.3Å; M97-W158 HydrophobicContact CE-CD2 3.97Å; M97-W158 HydrophobicContact CE-CG 3.82Å; M97-W158 HydrophobicContact CG-CD2 3.83Å; M97-W158 VanDerWaalsContact CG-CE2 3.46Å; M97-W158 HydrophobicContact CG-CE3 4.03Å; M97-W158 HydrophobicContact CG-CH2 3.61Å; M97-W158 HydrophobicContact CG-CZ2 3.35Å; M97-W158 HydrophobicContact CG-CZ3 3.93Å; M97-W158 HydrophobicContact SD-CD2 3.61Å; M97-W158 HydrophobicContact SD-CE3 3.63Å; M97-W158 HydrophobicContact SD-CG 4.09Å; M97-W158 HydrophobicContact SD-CH2 4.28Å; M97-W158 HydrophobicContact SD-CZ2 4.25Å; M97-W158 HydrophobicContact SD-CZ3 3.98Å; M97-M176 HydrophobicContact SD-SD 4.05Å
98A71.9Confident78.3Confident50 Ų5046.7 Ų46.741%0.41328%0.275SS..Hα-helixtrans-62-19.8-17800000114.1I94 S95 K96 L106I94-A98 WeakPolarHBondContact O-CB 3.24Å; I94-A98 PolarHBondContact O-N 3.12Å; S95-A98 PolarHBondContact O-N 3.03Å; K96-A98 VanDerWaalsContact C-N 3.27Å; K96-A98 PolarHBondContact O-N 2.68Å; A98-L106 HydrophobicContact CB-CD1 3.96Å
99T76.5Confident78.8Confident120 Ų12044.1 Ų44.174%0.73626%0.261SS*.Hα-helixtrans-85.4-28175.6-46.30000112.2S95 K96 M97S95-T99 PolarHBondContact O-N 3.28Å; S95-T99 PolarHBondContact O-OG1 3.23Å; K96-T99 PolarHBondContact O-N 2.89Å; M97-T99 PolarHBondContact O-N 2.88Å; M97-T99 VanDerWaalsContact O-N 3.07Å
100D81.6Confident79.5Confident89 Ų8942.9 Ų42.948%0.47625%0.25SS..Hα-helixtrans-97.2-15.7-172.5-67.6-21.4000113.9M97M97-D100 PolarHBondContact O-N 3.48Å
101F87.4Confident80.6Confident13 Ų1342.8 Ų42.86%0.05724%0.243CC..SBendtrans-131.1147.9-171.5-64.5-87000112.3M97 E105 L106 K152 F153 N156 W158M97-F101 HydrophobicContact CB-CD2 4.21Å; M97-F101 HydrophobicContact CE-CD2 4.17Å; M97-F101 HydrophobicContact CE-CE2 4.05Å; M97-F101 WeakPolarHBondContact O-CD2 3.47Å; M97-F101 PolarHBondContact O-N 2.81Å; M97-F101 VanDerWaalsContact O-N 3.07Å; F101-E105 VanDerWaalsContact CA-OE2 3.27Å; F101-E105 WeakPolarHBondContact CA-OE2 3.43Å; F101-E105 HydrophobicContact CB-CB 4.01Å; F101-E105 WeakPolarHBondContact CB-OE2 3.47Å; F101-E105 HydrophobicContact CD1-CB 4.22Å; F101-E105 WeakPolarHBondContact CD1-OE2 3.5Å; F101-L106 HydrophobicContact CB-CD2 3.87Å; F101-L106 HydrophobicContact CB-CG 3.99Å; F101-K152 HydrophobicContact CD1-CD 4.25Å; F101-K152 HydrophobicContact CE1-CD 3.69Å; F101-K152 VanDerWaalsContact CE1-CE 3.44Å; F101-K152 HydrophobicContact CE1-CG 3.87Å; F101-F153 HydrophobicContact CD1-CD1 4.26Å; F101-F153 AromaticContact CD1-CE1 3.55Å; F101-F153 HydrophobicContact CD1-CE1 3.55Å; F101-F153 HydrophobicContact CD1-CZ 4.37Å; F101-F153 HydrophobicContact CD2-CE1 4.36Å; F101-F153 AromaticContact CE1-CD1 3.6Å; F101-F153 HydrophobicContact CE1-CD1 3.6Å; F101-F153 AromaticContact CE1-CE1 3.36Å; F101-F153 HydrophobicContact CE1-CE1 3.36Å; F101-F153 HydrophobicContact CE1-CZ 4.44Å; F101-F153 HydrophobicContact CE2-CD1 4.38Å; F101-F153 HydrophobicContact CE2-CE1 4.24Å; F101-F153 HydrophobicContact CG-CE1 4.07Å; F101-F153 AromaticContact CZ-CD1 3.69Å; F101-F153 HydrophobicContact CZ-CD1 3.69Å; F101-F153 AromaticContact CZ-CE1 3.76Å; F101-F153 HydrophobicContact CZ-CE1 3.76Å; F101-N156 HydrophobicContact CZ-CB 4.4Å; F101-W158 AromaticContact CE2-NE1 3.8Å
102A91Very high82.3Confident48 Ų4839.6 Ų39.640%0.39722%0.223SC..  trans-70.1160.5174.700000111.7N104 E105 L106A102-N104 VanDerWaalsContact C-N 3.29Å; A102-N104 VanDerWaalsContact CB-OD1 3.31Å; A102-N104 WeakPolarHBondContact CB-OD1 3.23Å; A102-N104 PolarHBondContact O-N 2.94Å; A102-E105 HydrophobicContact CB-CG 4.19Å; A102-E105 PolarHBondContact N-OE2 2.93Å; A102-E105 WeakPolarHBondContact O-CB 3.18Å; A102-E105 PolarHBondContact O-N 3.26Å; A102-L106 WeakPolarHBondContact O-CG 3.47Å; A102-L106 PolarHBondContact O-N 2.93Å
103E90.3Very high84Confident122 Ų12235.8 Ų35.857%0.5720%0.2SC*.Hα-helixtrans-55.6-41-176.7-172.1-176.4-17900113.5L106 D107E103-L106 PolarHBondContact O-N 3.47Å; E103-D107 PolarHBondContact O-N 3.49Å
104N92.2Very high85.7Confident9 Ų938.2 Ų38.25%0.04821%0.21CC..Hα-helixtrans-71-35.3177.661-18.3000112.8A102 D107 L108 K137 K139 M141A102-N104 VanDerWaalsContact C-N 3.29Å; A102-N104 VanDerWaalsContact CB-OD1 3.31Å; A102-N104 WeakPolarHBondContact CB-OD1 3.23Å; A102-N104 PolarHBondContact O-N 2.94Å; N104-D107 PolarHBondContact O-N 3.31Å; N104-L108 WeakPolarHBondContact O-CB 3.5Å; N104-L108 PolarHBondContact O-N 3.33Å; N104-K137 VanDerWaalsContact CA-O 3.27Å; N104-K137 WeakPolarHBondContact CA-O 3.18Å; N104-K137 WeakPolarHBondContact CB-O 3.33Å; N104-K139 WeakPolarHBondContact CB-O 3.35Å; N104-K139 PolarHBondContact ND2-O 3.01Å; N104-M141 HydrophobicContact CB-CE 4.34Å; N104-M141 WeakPolarHBondContact ND2-CE 3.38Å
105E93.8Very high87.4Confident27 Ų2739 Ų3913%0.12622%0.215CC..Hα-helixtrans-64.6-44.4172-62.7-178.9133.800110.2F101 A102 D107 L108 F109 M141 V149 K152 F153F101-E105 VanDerWaalsContact CA-OE2 3.27Å; F101-E105 WeakPolarHBondContact CA-OE2 3.43Å; F101-E105 HydrophobicContact CB-CB 4.01Å; F101-E105 WeakPolarHBondContact CB-OE2 3.47Å; F101-E105 HydrophobicContact CD1-CB 4.22Å; F101-E105 WeakPolarHBondContact CD1-OE2 3.5Å; A102-E105 HydrophobicContact CB-CG 4.19Å; A102-E105 PolarHBondContact N-OE2 2.93Å; A102-E105 WeakPolarHBondContact O-CB 3.18Å; A102-E105 PolarHBondContact O-N 3.26Å; E105-D107 VanDerWaalsContact C-N 3.32Å; E105-D107 PolarHBondContact O-N 2.95Å; E105-L108 WeakPolarHBondContact O-CB 3.45Å; E105-L108 PolarHBondContact O-N 2.99Å; E105-F109 PolarHBondContact O-N 3.07Å; E105-M141 HydrophobicContact CG-CE 4.07Å; E105-V149 HydrophobicContact CB-CG1 3.89Å; E105-V149 HydrophobicContact CG-CG1 3.83Å; E105-V149 HydrophobicContact CG-CG2 3.9Å; E105-K152 IonicContact OE1-NZ 2.64Å; E105-K152 PolarHBondContact OE1-NZ 2.89Å; E105-K152 IonicContact OE2-NZ 3.81Å; E105-K152 PolarHBondContact OE2-NZ 2.84Å; E105-F153 HydrophobicContact CB-CZ 4.48Å; E105-F153 WeakPolarHBondContact O-CZ 3.12Å
106L91.9Very high89Confident17 Ų1736.4 Ų36.49%0.08920%0.197CC..Hα-helixtrans-63-38.7176.6-66.6168.3000112.4M97 A98 F101 A102 E103 L108 F109 R110M97-L106 HydrophobicContact CB-CD2 3.76Å; A98-L106 HydrophobicContact CB-CD1 3.96Å; F101-L106 HydrophobicContact CB-CD2 3.87Å; F101-L106 HydrophobicContact CB-CG 3.99Å; A102-L106 WeakPolarHBondContact O-CG 3.47Å; A102-L106 PolarHBondContact O-N 2.93Å; E103-L106 PolarHBondContact O-N 3.47Å; L106-L108 VanDerWaalsContact C-N 3.32Å; L106-F109 PolarHBondContact O-N 3.33Å; L106-R110 WeakPolarHBondContact O-CG 3.31Å; L106-R110 PolarHBondContact O-N 3.23Å
107D92.5Very high90.2Very high4 Ų433.8 Ų33.82%0.02119%0.185CC..Hα-helixtrans-68.2-35.4176.7-150.154.7000111.8E103 N104 E105 F109 R110 K111 L136 K137E103-D107 PolarHBondContact O-N 3.49Å; N104-D107 PolarHBondContact O-N 3.31Å; E105-D107 VanDerWaalsContact C-N 3.32Å; E105-D107 PolarHBondContact O-N 2.95Å; D107-F109 VanDerWaalsContact C-N 3.34Å; D107-R110 VanDerWaalsContact CA-NH2 3.29Å; D107-R110 PolarHBondContact O-N 2.85Å; D107-R110 IonicContact OD1-CZ 3.38Å; D107-R110 IonicContact OD1-NE 3.12Å; D107-R110 PolarHBondContact OD1-NE 2.93Å; D107-R110 VanDerWaalsContact OD1-NE 3.12Å; D107-R110 IonicContact OD1-NH2 2.78Å; D107-R110 PolarHBondContact OD1-NH2 3.41Å; D107-K111 WeakPolarHBondContact O-CB 3.47Å; D107-K111 VanDerWaalsContact O-CG 3.31Å; D107-K111 WeakPolarHBondContact O-CG 3.46Å; D107-K111 PolarHBondContact O-N 2.91Å; D107-L136 HydrophobicContact CB-CD2 4.16Å; D107-K137 HydrophobicContact CB-CB 4.35Å; D107-K137 WeakPolarHBondContact OD2-CG 3.48Å; D107-K137 PolarHBondContact OD2-N 3.49Å
108L94.8Very high91.2Very high0 Ų039.1 Ų39.10%021%0.214CC..Hα-helixtrans-63-42.3172.2179.865.5000111.1N104 E105 L106 K111 A112 I129 V133 L136 M141 A146 V149 L150N104-L108 WeakPolarHBondContact O-CB 3.5Å; N104-L108 PolarHBondContact O-N 3.33Å; E105-L108 WeakPolarHBondContact O-CB 3.45Å; E105-L108 PolarHBondContact O-N 2.99Å; L106-L108 VanDerWaalsContact C-N 3.32Å; L108-K111 PolarHBondContact O-N 3.04Å; L108-A112 WeakPolarHBondContact O-CB 3.34Å; L108-A112 PolarHBondContact O-N 2.92Å; L108-I129 HydrophobicContact CD1-CG2 3.87Å; L108-V133 HydrophobicContact CD1-CG2 4.45Å; L108-L136 VanDerWaalsContact CA-CD2 3.46Å; L108-L136 HydrophobicContact CB-CD1 4.16Å; L108-L136 HydrophobicContact CB-CD2 3.83Å; L108-L136 HydrophobicContact CD1-CD1 4.32Å; L108-L136 HydrophobicContact CD1-CD2 4.24Å; L108-M141 HydrophobicContact CD2-SD 4.16Å; L108-A146 HydrophobicContact CD2-CB 3.86Å; L108-V149 HydrophobicContact CD2-CB 4Å; L108-V149 HydrophobicContact CD2-CG1 3.88Å; L108-L150 HydrophobicContact CD2-CD2 4.43Å
109F94.8Very high92.4Very high3 Ų338.1 Ų38.11%0.01320%0.204CC..Hα-helixtrans-61.9-44.3174.6-175.3-98.7000112M97 E105 L106 D107 K111 A112 L113 F153 W158 L159 L168 M176M97-F109 HydrophobicContact CE-CB 4.23Å; M97-F109 HydrophobicContact CE-CD1 3.93Å; M97-F109 HydrophobicContact CE-CD2 3.7Å; M97-F109 HydrophobicContact CE-CE1 4.2Å; M97-F109 HydrophobicContact CE-CE2 3.98Å; M97-F109 HydrophobicContact CE-CG 3.66Å; M97-F109 HydrophobicContact CE-CZ 4.22Å; M97-F109 HydrophobicContact SD-CD1 3.82Å; M97-F109 HydrophobicContact SD-CD2 4.4Å; M97-F109 HydrophobicContact SD-CE1 3.65Å; M97-F109 HydrophobicContact SD-CE2 4.25Å; M97-F109 HydrophobicContact SD-CG 4.19Å; M97-F109 HydrophobicContact SD-CZ 3.88Å; E105-F109 PolarHBondContact O-N 3.07Å; L106-F109 PolarHBondContact O-N 3.33Å; D107-F109 VanDerWaalsContact C-N 3.34Å; F109-K111 PolarHBondContact O-N 3.07Å; F109-A112 PolarHBondContact O-N 2.97Å; F109-L113 VanDerWaalsContact O-CB 3.28Å; F109-L113 WeakPolarHBondContact O-CB 3.36Å; F109-L113 PolarHBondContact O-N 3.29Å; F109-F153 HydrophobicContact CB-CE1 4.25Å; F109-F153 HydrophobicContact CB-CE2 3.87Å; F109-F153 HydrophobicContact CB-CZ 3.68Å; F109-F153 HydrophobicContact CD2-CD1 4.26Å; F109-F153 HydrophobicContact CD2-CD2 4.07Å; F109-F153 HydrophobicContact CD2-CE1 4.33Å; F109-F153 HydrophobicContact CD2-CE2 4.13Å; F109-F153 HydrophobicContact CD2-CG 4.17Å; F109-F153 HydrophobicContact CD2-CZ 4.29Å; F109-F153 HydrophobicContact CG-CZ 4.42Å; F109-W158 HydrophobicContact CE2-CB 3.96Å; F109-L159 HydrophobicContact CE2-CD2 3.97Å; F109-L159 HydrophobicContact CE2-CG 4.13Å; F109-L168 HydrophobicContact CE2-CD2 4.43Å; F109-L168 HydrophobicContact CZ-CD2 4.02Å; F109-M176 HydrophobicContact CE1-CE 4.06Å; F109-M176 HydrophobicContact CE1-SD 3.98Å; F109-M176 HydrophobicContact CZ-SD 4.43Å
110R93.1Very high93.1Very high51 Ų5137.5 Ų37.519%0.19219%0.192CC..Hα-helixtrans-60.2-44.6176.6-75-175.1-68.9-91.52112I94 L106 D107 L113 E114I94-R110 HydrophobicContact CD1-CG 4.35Å; L106-R110 WeakPolarHBondContact O-CG 3.31Å; L106-R110 PolarHBondContact O-N 3.23Å; D107-R110 VanDerWaalsContact CA-NH2 3.29Å; D107-R110 PolarHBondContact O-N 2.85Å; D107-R110 IonicContact OD1-CZ 3.38Å; D107-R110 IonicContact OD1-NE 3.12Å; D107-R110 PolarHBondContact OD1-NE 2.93Å; D107-R110 VanDerWaalsContact OD1-NE 3.12Å; D107-R110 IonicContact OD1-NH2 2.78Å; D107-R110 PolarHBondContact OD1-NH2 3.41Å; R110-L113 WeakPolarHBondContact O-CB 3.48Å; R110-L113 PolarHBondContact O-N 3Å; R110-E114 WeakPolarHBondContact O-CG 3.45Å; R110-E114 PolarHBondContact O-N 3.03Å
111K94.6Very high93.7Very high39 Ų3937.1 Ų37.117%0.1719%0.193CC..Hα-helixtrans-64.7-39.6177.4-73-81.4159.9-96.90112.2D107 L108 F109 E114 L115 L132 L136D107-K111 WeakPolarHBondContact O-CB 3.47Å; D107-K111 VanDerWaalsContact O-CG 3.31Å; D107-K111 WeakPolarHBondContact O-CG 3.46Å; D107-K111 PolarHBondContact O-N 2.91Å; L108-K111 PolarHBondContact O-N 3.04Å; F109-K111 PolarHBondContact O-N 3.07Å; K111-E114 IonicContact NZ-OE1 2.8Å; K111-E114 PolarHBondContact NZ-OE1 3.32Å; K111-E114 IonicContact NZ-OE2 2.69Å; K111-E114 PolarHBondContact NZ-OE2 3.27Å; K111-L115 WeakPolarHBondContact O-CG 3.47Å; K111-L115 PolarHBondContact O-N 3.07Å; K111-L132 HydrophobicContact CB-CB 4.4Å; K111-L132 HydrophobicContact CB-CD1 3.89Å; K111-L132 HydrophobicContact CD-CB 4.43Å; K111-L132 HydrophobicContact CD-CD1 3.99Å; K111-L132 HydrophobicContact CG-CD1 4.49Å; K111-L136 HydrophobicContact CG-CD2 4.45Å
112A95.8Very high94Very high0 Ų036.5 Ų36.50%019%0.191CC..Hα-helixtrans-65.5-41.6172.900000111.9L108 F109 L115 I116 I129L108-A112 WeakPolarHBondContact O-CB 3.34Å; L108-A112 PolarHBondContact O-N 2.92Å; F109-A112 PolarHBondContact O-N 2.97Å; A112-L115 PolarHBondContact O-N 3.16Å; A112-I116 VanDerWaalsContact O-CG1 3.25Å; A112-I116 WeakPolarHBondContact O-CG1 2.9Å; A112-I116 PolarHBondContact O-N 2.69Å; A112-I129 HydrophobicContact CB-CD1 4.07Å; A112-I129 HydrophobicContact CB-CG1 4.18Å; A112-I129 HydrophobicContact CB-CG2 4.04Å
113L95.1Very high94.3Very high1 Ų135.6 Ų35.61%0.00518%0.178CC..Hα-helixtrans-60.2-45.7176.5173.866.5000111.9F109 R110 L115 I116 I117 L168 Y179 I180 Y184F109-L113 VanDerWaalsContact O-CB 3.28Å; F109-L113 WeakPolarHBondContact O-CB 3.36Å; F109-L113 PolarHBondContact O-N 3.29Å; R110-L113 WeakPolarHBondContact O-CB 3.48Å; R110-L113 PolarHBondContact O-N 3Å; L113-L115 PolarHBondContact O-N 3.27Å; L113-I116 PolarHBondContact O-N 3.42Å; L113-I117 HydrophobicContact CD1-CD1 3.69Å; L113-I117 HydrophobicContact CD1-CG1 4.03Å; L113-I117 HydrophobicContact CG-CD1 3.75Å; L113-I117 HydrophobicContact CG-CG1 4.45Å; L113-I117 VanDerWaalsContact O-CG1 3.29Å; L113-I117 WeakPolarHBondContact O-CG1 3.21Å; L113-I117 PolarHBondContact O-N 2.81Å; L113-L168 HydrophobicContact CD1-CD1 3.65Å; L113-L168 HydrophobicContact CD1-CD2 3.99Å; L113-L168 HydrophobicContact CD1-CG 4.17Å; L113-Y179 HydrophobicContact CD2-CE1 4.3Å; L113-I180 HydrophobicContact CD1-CD1 4.04Å; L113-I180 HydrophobicContact CD1-CG1 4.26Å; L113-I180 HydrophobicContact CD2-CG1 4.19Å; L113-Y184 HydrophobicContact CD2-CE2 3.94Å; L113-Y184 HydrophobicContact CG-CE2 4.33Å
114E94.8Very high94.6Very high57 Ų5730 Ų3027%0.26615%0.153SC..Hα-helixtrans-54-51.3174.5-72.2163.9-152.400110.7R110 K111 I116 I117 D118 Y184R110-E114 WeakPolarHBondContact O-CG 3.45Å; R110-E114 PolarHBondContact O-N 3.03Å; K111-E114 IonicContact NZ-OE1 2.8Å; K111-E114 PolarHBondContact NZ-OE1 3.32Å; K111-E114 IonicContact NZ-OE2 2.69Å; K111-E114 PolarHBondContact NZ-OE2 3.27Å; E114-I116 VanDerWaalsContact C-N 3.33Å; E114-I116 PolarHBondContact O-N 3.32Å; E114-I117 PolarHBondContact O-N 2.92Å; E114-D118 PolarHBondContact O-N 2.88Å; E114-D118 VanDerWaalsContact O-N 3.07Å; E114-Y184 HydrophobicContact CG-CE1 3.78Å
115L96.8Very high94.8Very high52 Ų5230.5 Ų30.527%0.27216%0.157SC..Hα-helixtrans-61.9-37.8178.1-66.6178000113.1K111 A112 L113 S119 A124 N128 I129 L132K111-L115 WeakPolarHBondContact O-CG 3.47Å; K111-L115 PolarHBondContact O-N 3.07Å; A112-L115 PolarHBondContact O-N 3.16Å; L113-L115 PolarHBondContact O-N 3.27Å; L115-S119 WeakPolarHBondContact O-CB 3.48Å; L115-S119 PolarHBondContact O-N 2.79Å; L115-A124 HydrophobicContact CB-CB 3.71Å; L115-N128 HydrophobicContact CD1-CB 4.07Å; L115-I129 HydrophobicContact CD1-CB 4.43Å; L115-I129 HydrophobicContact CD1-CG1 3.81Å; L115-L132 HydrophobicContact CD1-CD1 3.68Å; L115-L132 HydrophobicContact CD2-CD1 4.39Å; L115-L132 HydrophobicContact CG-CD1 4.03Å
116I97Very high94.9Very high0 Ų031 Ų310%016%0.163CC..Hα-helixtrans-68-42.1179.7-73.6165.5000111.1A112 L113 E114 G122 A124 L159 F166 L168 I199A112-I116 VanDerWaalsContact O-CG1 3.25Å; A112-I116 WeakPolarHBondContact O-CG1 2.9Å; A112-I116 PolarHBondContact O-N 2.69Å; L113-I116 PolarHBondContact O-N 3.42Å; E114-I116 VanDerWaalsContact C-N 3.33Å; E114-I116 PolarHBondContact O-N 3.32Å; I116-G122 WeakPolarHBondContact CG2-O 3.49Å; I116-A124 HydrophobicContact CG1-CB 3.74Å; I116-L159 HydrophobicContact CD1-CD2 3.88Å; I116-F166 WeakPolarHBondContact CG1-O 3.27Å; I116-L168 HydrophobicContact CG2-CG 4.25Å; I116-I199 HydrophobicContact CG2-CG2 3.51Å
117I95.4Very high95Very high7 Ų734.3 Ų34.34%0.03618%0.184CC..Hα-helixtrans-66.8-46.6-179.8-67.6166.9000110.2L113 E114 S119 I180 Y184 A187 V188 K189L113-I117 HydrophobicContact CD1-CD1 3.69Å; L113-I117 HydrophobicContact CD1-CG1 4.03Å; L113-I117 HydrophobicContact CG-CD1 3.75Å; L113-I117 HydrophobicContact CG-CG1 4.45Å; L113-I117 VanDerWaalsContact O-CG1 3.29Å; L113-I117 WeakPolarHBondContact O-CG1 3.21Å; L113-I117 PolarHBondContact O-N 2.81Å; E114-I117 PolarHBondContact O-N 2.92Å; I117-S119 VanDerWaalsContact C-N 3.31Å; I117-S119 PolarHBondContact O-N 3.47Å; I117-I180 HydrophobicContact CD1-CG2 3.69Å; I117-I180 HydrophobicContact CG1-CG2 4.44Å; I117-Y184 HydrophobicContact CD1-CD2 3.5Å; I117-Y184 VanDerWaalsContact CD1-CD2 3.5Å; I117-Y184 HydrophobicContact CD1-CE2 3.94Å; I117-Y184 HydrophobicContact CD1-CG 4Å; I117-A187 HydrophobicContact CG2-CB 3.72Å; I117-A187 WeakPolarHBondContact CG2-O 3.28Å; I117-V188 HydrophobicContact CG2-CG1 4.5Å; I117-K189 PolarHBondContact O-NZ 3Å
118D94.9Very high95.1Very high112 Ų11238.4 Ų38.460%0.59921%0.206SC*.Hα-helixtrans-69.8-28.1-178.6-69.6-17.8000112.6E114 E120 A187E114-D118 PolarHBondContact O-N 2.88Å; E114-D118 VanDerWaalsContact O-N 3.07Å; D118-E120 PolarHBondContact O-N 3.03Å; D118-A187 WeakPolarHBondContact OD1-CB 3.4Å
119S95.9Very high95.1Very high29 Ų2938.4 Ų38.420%0.20321%0.206CC..SBendtrans-64.9128179.8175.50000112.4L115 I117 T121 G122 F123 K189L115-S119 WeakPolarHBondContact O-CB 3.48Å; L115-S119 PolarHBondContact O-N 2.79Å; I117-S119 VanDerWaalsContact C-N 3.31Å; I117-S119 PolarHBondContact O-N 3.47Å; S119-T121 VanDerWaalsContact C-N 3.26Å; S119-T121 PolarHBondContact O-N 2.82Å; S119-T121 PolarHBondContact OG-OG1 3.03Å; S119-G122 PolarHBondContact O-N 3.24Å; S119-F123 WeakPolarHBondContact CB-O 3.16Å; S119-F123 PolarHBondContact OG-O 3.13Å; S119-K189 VanDerWaalsContact C-NZ 3.35Å; S119-K189 PolarHBondContact O-NZ 3.34Å
120E91.8Very high95Very high107 Ų10738.8 Ų38.850%0.521%0.209SC..THydrogen-bonded Turntrans-53.6-42179.1-172.356.1-139.300112.7D118 G122 R210D118-E120 PolarHBondContact O-N 3.03Å; E120-G122 VanDerWaalsContact C-N 3.34Å; E120-R210 IonicContact OE1-CZ 3.24Å; E120-R210 VanDerWaalsContact OE1-CZ 3.24Å; E120-R210 IonicContact OE1-NE 2.94Å; E120-R210 PolarHBondContact OE1-NE 2.8Å; E120-R210 IonicContact OE1-NH2 2.73Å; E120-R210 PolarHBondContact OE1-NH2 2.88Å; E120-R210 IonicContact OE2-CZ 3.81Å; E120-R210 IonicContact OE2-NH2 2.78Å; E120-R210 PolarHBondContact OE2-NH2 2.91Å
121T92.9Very high95.1Very high81 Ų8140.6 Ų40.650%0.49722%0.222SC..THydrogen-bonded Turntrans-79.2-15.9-177.958.70000113.5S119 F123 Q200S119-T121 VanDerWaalsContact C-N 3.26Å; S119-T121 PolarHBondContact O-N 2.82Å; S119-T121 PolarHBondContact OG-OG1 3.03Å; T121-F123 VanDerWaalsContact C-N 3.33Å; T121-F123 WeakPolarHBondContact O-CD2 3.41Å; T121-F123 PolarHBondContact OG1-N 2.87Å; T121-Q200 WeakPolarHBondContact O-CB 3.44Å
122G94.8Very high95Very high0 Ų040.1 Ų40.10%022%0.221CC..SBendtrans78.117.7-168.700000113.6I116 S119 E120 T167 I199I116-G122 WeakPolarHBondContact CG2-O 3.49Å; S119-G122 PolarHBondContact O-N 3.24Å; E120-G122 VanDerWaalsContact C-N 3.34Å; G122-T167 WeakPolarHBondContact O-CB 3.46Å; G122-T167 PolarHBondContact O-OG1 3.38Å; G122-I199 WeakPolarHBondContact CA-O 3.43Å
123F96.6Very high94.8Very high29 Ų2940.4 Ų40.413%0.12722%0.223CC..  trans-122.9141.7177.7-71.7-98.2000111.2S119 T121 K162 E165 F166 T167 Q200S119-F123 WeakPolarHBondContact CB-O 3.16Å; S119-F123 PolarHBondContact OG-O 3.13Å; T121-F123 VanDerWaalsContact C-N 3.33Å; T121-F123 WeakPolarHBondContact O-CD2 3.41Å; T121-F123 PolarHBondContact OG1-N 2.87Å; F123-K162 HydrophobicContact CE1-CB 4.08Å; F123-K162 HydrophobicContact CE1-CD 4.01Å; F123-K162 HydrophobicContact CE1-CG 4.22Å; F123-K162 HydrophobicContact CZ-CD 4.07Å; F123-E165 HydrophobicContact CB-CB 4.02Å; F123-E165 WeakPolarHBondContact CB-OE2 3.28Å; F123-E165 HydrophobicContact CD1-CB 4.13Å; F123-F166 CarbonylContact C-O 3.58Å; F123-F166 WeakPolarHBondContact CA-O 3.38Å; F123-T167 HydrophobicContact CD1-CG2 4.08Å; F123-T167 HydrophobicContact CE1-CG2 3.43Å; F123-T167 VanDerWaalsContact CE1-CG2 3.43Å; F123-T167 HydrophobicContact CE2-CG2 4.47Å; F123-T167 HydrophobicContact CZ-CG2 3.67Å; F123-Q200 HydrophobicContact CE2-CB 4.31Å
124A97.3Very high94.5Very high6 Ų646.1 Ų46.15%0.0525%0.253CS..EExtended strand (participates in β ladder)trans-122127.6174.800000110.5L115 I116 I129 E165 F166L115-A124 HydrophobicContact CB-CB 3.71Å; I116-A124 HydrophobicContact CG1-CB 3.74Å; A124-I129 HydrophobicContact CB-CD1 4.01Å; A124-I129 HydrophobicContact CB-CG1 4.11Å; A124-E165 CarbonylContact O-C 3.59Å; A124-E165 WeakPolarHBondContact O-CA 3.49Å; A124-F166 PolarHBondContact N-O 3.17Å; A124-F166 PolarHBondContact O-N 3.23Å
125S96.8Very high94.3Very high18 Ų1849.3 Ų49.313%0.12627%0.268CS..EExtended strand (participates in β ladder)trans-65.7144.7179.882.80000111.9T127 N128 I129S125-T127 PolarHBondContact O-N 2.94Å; S125-T127 PolarHBondContact OG-OG1 2.91Å; S125-T127 VanDerWaalsContact OG-OG1 3.05Å; S125-N128 PolarHBondContact O-N 3.34Å; S125-N128 VanDerWaalsContact O-N 3.12Å; S125-N128 VanDerWaalsContact OG-CG 3.24Å; S125-N128 PolarHBondContact OG-N 2.89Å; S125-N128 VanDerWaalsContact OG-N 3.13Å; S125-N128 PolarHBondContact OG-OD1 3.01Å; S125-I129 WeakPolarHBondContact O-CG1 3.44Å; S125-I129 PolarHBondContact O-N 2.92Å; S125-I129 VanDerWaalsContact O-N 3.12Å
126S94.4Very high93.9Very high38 Ų3847.9 Ų47.927%0.26626%0.261SS..Hα-helixtrans-48.5-44.3172.152.10000111.9N128 I129 L130 G164S126-N128 PolarHBondContact O-N 3.18Å; S126-I129 PolarHBondContact O-N 3.21Å; S126-L130 WeakPolarHBondContact O-CB 3.42Å; S126-L130 WeakPolarHBondContact O-CG 3.46Å; S126-L130 PolarHBondContact O-N 2.97Å; S126-G164 WeakPolarHBondContact CB-O 3.43Å; S126-G164 PolarHBondContact N-O 3.31Å; S126-G164 PolarHBondContact OG-O 3.35Å; S126-G164 VanDerWaalsContact OG-O 3.13Å
127T94.4Very high93.4Very high86 Ų8654.2 Ų54.253%0.52829%0.288SS..Hα-helixtrans-64.6-40.3-178.865.70000113S125 L130 N131S125-T127 PolarHBondContact O-N 2.94Å; S125-T127 PolarHBondContact OG-OG1 2.91Å; S125-T127 VanDerWaalsContact OG-OG1 3.05Å; T127-L130 PolarHBondContact O-N 3.47Å; T127-N131 PolarHBondContact O-N 2.8Å; T127-N131 VanDerWaalsContact O-N 3.17Å; T127-N131 PolarHBondContact O-ND2 3.04Å; T127-N131 VanDerWaalsContact O-ND2 3.14Å
128N94.9Very high92.8Very high90 Ų9056.2 Ų56.248%0.48131%0.31SS..Hα-helixtrans-65.2-43.7176.4-68.5128.2000111.3L115 S125 S126 N131L115-N128 HydrophobicContact CD1-CB 4.07Å; S125-N128 PolarHBondContact O-N 3.34Å; S125-N128 VanDerWaalsContact O-N 3.12Å; S125-N128 VanDerWaalsContact OG-CG 3.24Å; S125-N128 PolarHBondContact OG-N 2.89Å; S125-N128 VanDerWaalsContact OG-N 3.13Å; S125-N128 PolarHBondContact OG-OD1 3.01Å; S126-N128 PolarHBondContact O-N 3.18Å; N128-N131 PolarHBondContact O-N 3.15Å
129I95Very high92.4Very high0 Ų058.3 Ų58.30%031%0.314CS..Hα-helixtrans-63.4-46.1178-61.3164.4000110.6L108 A112 L115 A124 S125 S126 N131 L132 L150 F166L108-I129 HydrophobicContact CD1-CG2 3.87Å; A112-I129 HydrophobicContact CB-CD1 4.07Å; A112-I129 HydrophobicContact CB-CG1 4.18Å; A112-I129 HydrophobicContact CB-CG2 4.04Å; L115-I129 HydrophobicContact CD1-CB 4.43Å; L115-I129 HydrophobicContact CD1-CG1 3.81Å; A124-I129 HydrophobicContact CB-CD1 4.01Å; A124-I129 HydrophobicContact CB-CG1 4.11Å; S125-I129 WeakPolarHBondContact O-CG1 3.44Å; S125-I129 PolarHBondContact O-N 2.92Å; S125-I129 VanDerWaalsContact O-N 3.12Å; S126-I129 PolarHBondContact O-N 3.21Å; I129-N131 PolarHBondContact O-N 2.83Å; I129-L132 WeakPolarHBondContact O-CB 3.44Å; I129-L132 PolarHBondContact O-N 3.33Å; I129-L150 HydrophobicContact CG2-CD1 4.09Å; I129-L150 HydrophobicContact CG2-CD2 4.06Å; I129-F166 HydrophobicContact CD1-CB 4.18Å; I129-F166 HydrophobicContact CD1-CD2 3.78Å; I129-F166 HydrophobicContact CD1-CG 4.31Å
130L93.6Very high92.1Very high12 Ų1265.2 Ų65.26%0.06334%0.34CS..Hα-helixtrans-67.9-19.7-177.3-68171.7000113.8S126 T127 L132 V133 K143 A146 E147 L150S126-L130 WeakPolarHBondContact O-CB 3.42Å; S126-L130 WeakPolarHBondContact O-CG 3.46Å; S126-L130 PolarHBondContact O-N 2.97Å; T127-L130 PolarHBondContact O-N 3.47Å; L130-L132 PolarHBondContact O-N 2.86Å; L130-V133 HydrophobicContact CD2-CG2 4.28Å; L130-V133 WeakPolarHBondContact O-CB 3.45Å; L130-V133 VanDerWaalsContact O-CG2 3.24Å; L130-V133 WeakPolarHBondContact O-CG2 3.46Å; L130-V133 PolarHBondContact O-N 2.82Å; L130-K143 HydrophobicContact CB-CD 4.43Å; L130-K143 WeakPolarHBondContact O-CE 3.41Å; L130-A146 HydrophobicContact CD2-CB 3.56Å; L130-E147 HydrophobicContact CD1-CG 3.67Å; L130-E147 HydrophobicContact CD2-CG 3.89Å; L130-E147 HydrophobicContact CG-CG 4.41Å; L130-L150 HydrophobicContact CD2-CD1 4.39Å
131N94.4Very high92Very high88 Ų8860.2 Ų60.247%0.47132%0.317SS..THydrogen-bonded Turntrans-74.3-15.1173.6-71.8-23000113T127 N128 I129 K143T127-N131 PolarHBondContact O-N 2.8Å; T127-N131 VanDerWaalsContact O-N 3.17Å; T127-N131 PolarHBondContact O-ND2 3.04Å; T127-N131 VanDerWaalsContact O-ND2 3.14Å; N128-N131 PolarHBondContact O-N 3.15Å; I129-N131 PolarHBondContact O-N 2.83Å; N131-K143 PolarHBondContact OD1-NZ 3.14Å
132L92.7Very high92.1Very high30 Ų3066.1 Ų66.116%0.15733%0.331CS..THydrogen-bonded Turntrans-88.6-2.8176.1-57.5177.7000113.1K111 L115 I129 L130 D134 Q135K111-L132 HydrophobicContact CB-CB 4.4Å; K111-L132 HydrophobicContact CB-CD1 3.89Å; K111-L132 HydrophobicContact CD-CB 4.43Å; K111-L132 HydrophobicContact CD-CD1 3.99Å; K111-L132 HydrophobicContact CG-CD1 4.49Å; L115-L132 HydrophobicContact CD1-CD1 3.68Å; L115-L132 HydrophobicContact CD2-CD1 4.39Å; L115-L132 HydrophobicContact CG-CD1 4.03Å; I129-L132 WeakPolarHBondContact O-CB 3.44Å; I129-L132 PolarHBondContact O-N 3.33Å; L130-L132 PolarHBondContact O-N 2.86Å; L132-D134 VanDerWaalsContact C-N 3.27Å; L132-D134 PolarHBondContact O-N 2.89Å; L132-Q135 WeakPolarHBondContact O-CB 3.4Å; L132-Q135 PolarHBondContact O-N 2.95Å
133V91.9Very high92Very high5 Ų570.7 Ų70.73%0.0335%0.35CS..G310 helixtrans-60.1-34.8-175.7172.20000112.8L108 L130 Q135 L136 M141 A146L108-V133 HydrophobicContact CD1-CG2 4.45Å; L130-V133 HydrophobicContact CD2-CG2 4.28Å; L130-V133 WeakPolarHBondContact O-CB 3.45Å; L130-V133 VanDerWaalsContact O-CG2 3.24Å; L130-V133 WeakPolarHBondContact O-CG2 3.46Å; L130-V133 PolarHBondContact O-N 2.82Å; V133-Q135 PolarHBondContact O-N 2.85Å; V133-L136 HydrophobicContact CB-CD1 4.35Å; V133-L136 HydrophobicContact CG1-CD1 4.17Å; V133-L136 HydrophobicContact CG2-CD1 4.46Å; V133-L136 VanDerWaalsContact O-CG 3.31Å; V133-L136 WeakPolarHBondContact O-CG 3.44Å; V133-L136 PolarHBondContact O-N 3.13Å; V133-M141 HydrophobicContact CG1-CB 4.31Å; V133-M141 WeakPolarHBondContact CG1-O 3.46Å; V133-A146 HydrophobicContact CG2-CB 3.52Å
134D88.8Confident91.9Very high121 Ų12176.4 Ų76.465%0.64738%0.375SS*.G310 helixtrans-72.7-13.1178.1-67.7-52.5000113.2L132L132-D134 VanDerWaalsContact C-N 3.27Å; L132-D134 PolarHBondContact O-N 2.89Å
135Q89.6Confident91.7Very high124 Ų12479.7 Ų79.758%0.57939%0.389SS*.G310 helixtrans-98.5-1.1179.9-54178.416.400112.9L132 V133L132-Q135 WeakPolarHBondContact O-CB 3.4Å; L132-Q135 PolarHBondContact O-N 2.95Å; V133-Q135 PolarHBondContact O-N 2.85Å
136L89.3Confident91.6Very high23 Ų2378.8 Ų78.812%0.1238%0.383CS..  trans-66.5136.4-176.6-64.1175.1000111.7D107 L108 K111 V133 M141D107-L136 HydrophobicContact CB-CD2 4.16Å; L108-L136 VanDerWaalsContact CA-CD2 3.46Å; L108-L136 HydrophobicContact CB-CD1 4.16Å; L108-L136 HydrophobicContact CB-CD2 3.83Å; L108-L136 HydrophobicContact CD1-CD1 4.32Å; L108-L136 HydrophobicContact CD1-CD2 4.24Å; K111-L136 HydrophobicContact CG-CD2 4.45Å; V133-L136 HydrophobicContact CB-CD1 4.35Å; V133-L136 HydrophobicContact CG1-CD1 4.17Å; V133-L136 HydrophobicContact CG2-CD1 4.46Å; V133-L136 VanDerWaalsContact O-CG 3.31Å; V133-L136 WeakPolarHBondContact O-CG 3.44Å; V133-L136 PolarHBondContact O-N 3.13Å; L136-M141 HydrophobicContact CD1-CB 4.25Å; L136-M141 HydrophobicContact CD1-SD 4.19Å
137K85.2Confident91.7Very high133 Ų13381.7 Ų81.758%0.57839%0.392SS*.SBendtrans-71.3153.5168.6-63.4174.8-176.3175.60110.9N104 D107N104-K137 VanDerWaalsContact CA-O 3.27Å; N104-K137 WeakPolarHBondContact CA-O 3.18Å; N104-K137 WeakPolarHBondContact CB-O 3.33Å; D107-K137 HydrophobicContact CB-CB 4.35Å; D107-K137 WeakPolarHBondContact OD2-CG 3.48Å; D107-K137 PolarHBondContact OD2-N 3.49Å
138G83.5Confident91.7Very high48 Ų4883.5 Ų83.550%0.49540%0.395SS..SBendtrans84.9-146.9178.600000113.8K140G138-K140 PolarHBondContact O-N 3.22Å
139K86.6Confident91.8Very high157 Ų15779.5 Ų79.568%0.68337%0.374SS*.SBendtrans-68.3129.6-176.2-178.5-177.6174.1-169.90111.1N104 M141N104-K139 WeakPolarHBondContact CB-O 3.35Å; N104-K139 PolarHBondContact ND2-O 3.01Å; K139-M141 PolarHBondContact O-N 2.93Å
140K88.9Confident91.8Very high173 Ų17379.6 Ų79.675%0.75237%0.374SS*.  trans-55.1124.8177.1-166.7173.6-172.1173.10111.1G138G138-K140 PolarHBondContact O-N 3.22Å
141M91.2Very high92Very high3 Ų382.5 Ų82.52%0.01539%0.387CS..  trans-111149.3179.7-177.7179.3-67.500109.5N104 E105 L108 V133 L136 K139 E145 A146 V149N104-M141 HydrophobicContact CB-CE 4.34Å; N104-M141 WeakPolarHBondContact ND2-CE 3.38Å; E105-M141 HydrophobicContact CG-CE 4.07Å; L108-M141 HydrophobicContact CD2-SD 4.16Å; V133-M141 HydrophobicContact CG1-CB 4.31Å; V133-M141 WeakPolarHBondContact CG1-O 3.46Å; L136-M141 HydrophobicContact CD1-CB 4.25Å; L136-M141 HydrophobicContact CD1-SD 4.19Å; K139-M141 PolarHBondContact O-N 2.93Å; M141-E145 HydrophobicContact CE-CG 4.47Å; M141-E145 HydrophobicContact CG-CB 3.73Å; M141-E145 HydrophobicContact CG-CG 3.73Å; M141-E145 HydrophobicContact SD-CG 4.33Å; M141-A146 HydrophobicContact CG-CB 4.3Å; M141-A146 WeakPolarHBondContact SD-CA 3.38Å; M141-A146 HydrophobicContact SD-CB 3.65Å; M141-V149 HydrophobicContact CE-CG2 3.93Å; M141-V149 HydrophobicContact SD-CG2 4.27Å
142R93.4Very high92Very high205 Ų20581.5 Ų81.577%0.77438%0.379SS*.  trans-97.9157.4172-64.6-176.4-179.3-170.70.6110.7K144 E145 A146R142-K144 VanDerWaalsContact C-N 3.27Å; R142-K144 PolarHBondContact O-N 3.12Å; R142-E145 WeakPolarHBondContact O-CA 3.14Å; R142-E145 WeakPolarHBondContact O-CB 3.37Å; R142-E145 PolarHBondContact O-N 3.29Å; R142-A146 PolarHBondContact O-N 3.05Å
143K93.9Very high92.1Very high95 Ų9580 Ų8041%0.41337%0.371SS..Hα-helixtrans-51.6-42.8178-65-168.2178.1-167.40113.5L130 N131 E145 A146 E147L130-K143 HydrophobicContact CB-CD 4.43Å; L130-K143 WeakPolarHBondContact O-CE 3.41Å; N131-K143 PolarHBondContact OD1-NZ 3.14Å; K143-E145 VanDerWaalsContact C-N 3.3Å; K143-E145 PolarHBondContact O-N 2.91Å; K143-A146 WeakPolarHBondContact O-CB 3.46Å; K143-A146 PolarHBondContact O-N 3.2Å; K143-A146 VanDerWaalsContact O-N 3.17Å; K143-E147 WeakPolarHBondContact O-CG 3.3Å; K143-E147 PolarHBondContact O-N 3.2Å
144K93.7Very high92.3Very high150 Ų15081.3 Ų81.365%0.65238%0.379SS*.Hα-helixtrans-61.3-34.5175.7-174.2176.4-179.5178.40113.7R142 Q148R142-K144 VanDerWaalsContact C-N 3.27Å; R142-K144 PolarHBondContact O-N 3.12Å; K144-Q148 WeakPolarHBondContact O-CG 3.43Å
145E94.4Very high92.5Very high74 Ų7482.3 Ų82.335%0.34638%0.38SS..Hα-helixtrans-74.7-41.3175.6-175.7-178.7179.600110M141 R142 K143 E147 Q148 V149M141-E145 HydrophobicContact CE-CG 4.47Å; M141-E145 HydrophobicContact CG-CB 3.73Å; M141-E145 HydrophobicContact CG-CG 3.73Å; M141-E145 HydrophobicContact SD-CG 4.33Å; R142-E145 WeakPolarHBondContact O-CA 3.14Å; R142-E145 WeakPolarHBondContact O-CB 3.37Å; R142-E145 PolarHBondContact O-N 3.29Å; K143-E145 VanDerWaalsContact C-N 3.3Å; K143-E145 PolarHBondContact O-N 2.91Å; E145-E147 VanDerWaalsContact C-N 3.34Å; E145-E147 PolarHBondContact O-N 3.47Å; E145-Q148 WeakPolarHBondContact O-CB 3.27Å; E145-Q148 PolarHBondContact O-N 3.15Å; E145-Q148 VanDerWaalsContact O-N 3.08Å; E145-V149 WeakPolarHBondContact O-CG2 3.28Å; E145-V149 PolarHBondContact O-N 2.8Å
146A94.6Very high92.6Very high0 Ų079.3 Ų79.30%037%0.368CS..Hα-helixtrans-60.3-40.1175.300000112.7L108 L130 V133 M141 R142 K143 Q148 V149 L150L108-A146 HydrophobicContact CD2-CB 3.86Å; L130-A146 HydrophobicContact CD2-CB 3.56Å; V133-A146 HydrophobicContact CG2-CB 3.52Å; M141-A146 HydrophobicContact CG-CB 4.3Å; M141-A146 WeakPolarHBondContact SD-CA 3.38Å; M141-A146 HydrophobicContact SD-CB 3.65Å; R142-A146 PolarHBondContact O-N 3.05Å; K143-A146 WeakPolarHBondContact O-CB 3.46Å; K143-A146 PolarHBondContact O-N 3.2Å; K143-A146 VanDerWaalsContact O-N 3.17Å; A146-Q148 VanDerWaalsContact C-N 3.3Å; A146-Q148 PolarHBondContact O-N 3.19Å; A146-V149 PolarHBondContact O-N 3.09Å; A146-V149 VanDerWaalsContact O-N 3.13Å; A146-L150 WeakPolarHBondContact O-CG 3.37Å; A146-L150 PolarHBondContact O-N 2.82Å
147E95.1Very high92.7Very high98 Ų9882.6 Ų82.646%0.45838%0.381SS..Hα-helixtrans-56.5-43.2172.4-74.3167-178.800111.9L130 K143 E145 V149 L150 Q151L130-E147 HydrophobicContact CD1-CG 3.67Å; L130-E147 HydrophobicContact CD2-CG 3.89Å; L130-E147 HydrophobicContact CG-CG 4.41Å; K143-E147 WeakPolarHBondContact O-CG 3.3Å; K143-E147 PolarHBondContact O-N 3.2Å; E145-E147 VanDerWaalsContact C-N 3.34Å; E145-E147 PolarHBondContact O-N 3.47Å; E147-V149 VanDerWaalsContact C-N 3.33Å; E147-V149 PolarHBondContact O-N 3.38Å; E147-L150 PolarHBondContact O-N 2.98Å; E147-Q151 WeakPolarHBondContact O-CG 3.32Å; E147-Q151 PolarHBondContact O-N 3.37Å; E147-Q151 VanDerWaalsContact O-N 3.1Å
148Q95.6Very high93.2Very high125 Ų12576.2 Ų76.258%0.58435%0.354SS*.Hα-helixtrans-65.6-37.9176.9-66.1174.8-6.200111.8K144 E145 A146 Q151 K152K144-Q148 WeakPolarHBondContact O-CG 3.43Å; E145-Q148 WeakPolarHBondContact O-CB 3.27Å; E145-Q148 PolarHBondContact O-N 3.15Å; E145-Q148 VanDerWaalsContact O-N 3.08Å; A146-Q148 VanDerWaalsContact C-N 3.3Å; A146-Q148 PolarHBondContact O-N 3.19Å; Q148-Q151 PolarHBondContact O-N 3.17Å; Q148-K152 PolarHBondContact O-N 2.92Å
149V95.9Very high93.8Very high6 Ų674 Ų744%0.03633%0.33CS..Hα-helixtrans-67.8-40.2177.1177.10000111.2E105 L108 M141 E145 A146 E147 Q151 K152 F153E105-V149 HydrophobicContact CB-CG1 3.89Å; E105-V149 HydrophobicContact CG-CG1 3.83Å; E105-V149 HydrophobicContact CG-CG2 3.9Å; L108-V149 HydrophobicContact CD2-CB 4Å; L108-V149 HydrophobicContact CD2-CG1 3.88Å; M141-V149 HydrophobicContact CE-CG2 3.93Å; M141-V149 HydrophobicContact SD-CG2 4.27Å; E145-V149 WeakPolarHBondContact O-CG2 3.28Å; E145-V149 PolarHBondContact O-N 2.8Å; A146-V149 PolarHBondContact O-N 3.09Å; A146-V149 VanDerWaalsContact O-N 3.13Å; E147-V149 VanDerWaalsContact C-N 3.33Å; E147-V149 PolarHBondContact O-N 3.38Å; V149-Q151 VanDerWaalsContact C-N 3.32Å; V149-Q151 PolarHBondContact O-N 2.79Å; V149-K152 CarbonylContact O-C 3.59Å; V149-K152 WeakPolarHBondContact O-CA 3.42Å; V149-K152 VanDerWaalsContact O-CB 3.32Å; V149-K152 WeakPolarHBondContact O-CB 3.39Å; V149-K152 PolarHBondContact O-N 3.48Å; V149-K152 VanDerWaalsContact O-N 3.09Å; V149-F153 HydrophobicContact CG1-CD2 4.32Å; V149-F153 HydrophobicContact CG1-CE1 4.29Å; V149-F153 HydrophobicContact CG1-CE2 3.59Å; V149-F153 HydrophobicContact CG1-CZ 3.54Å; V149-F153 WeakPolarHBondContact O-CD2 3.37Å; V149-F153 PolarHBondContact O-N 3.42Å
150L96.1Very high94.3Very high2 Ų268.4 Ų68.41%0.0131%0.307CS..Hα-helixtrans-59.3-44.1173-68.4176.9000111.3L108 I129 L130 A146 E147 K152 F153 V154 L159 F166L108-L150 HydrophobicContact CD2-CD2 4.43Å; I129-L150 HydrophobicContact CG2-CD1 4.09Å; I129-L150 HydrophobicContact CG2-CD2 4.06Å; L130-L150 HydrophobicContact CD2-CD1 4.39Å; A146-L150 WeakPolarHBondContact O-CG 3.37Å; A146-L150 PolarHBondContact O-N 2.82Å; E147-L150 PolarHBondContact O-N 2.98Å; L150-K152 VanDerWaalsContact C-N 3.31Å; L150-K152 PolarHBondContact O-N 3.14Å; L150-F153 HydrophobicContact CD2-CD2 4.17Å; L150-F153 WeakPolarHBondContact O-CB 3.41Å; L150-F153 PolarHBondContact O-N 3.38Å; L150-F153 VanDerWaalsContact O-N 3.14Å; L150-V154 PolarHBondContact O-N 3.36Å; L150-V154 VanDerWaalsContact O-N 3.08Å; L150-L159 HydrophobicContact CD2-CD1 4.14Å; L150-F166 HydrophobicContact CB-CE1 4.21Å; L150-F166 HydrophobicContact CB-CE2 4.5Å; L150-F166 HydrophobicContact CB-CZ 3.99Å; L150-F166 HydrophobicContact CD1-CD2 4.47Å; L150-F166 HydrophobicContact CD1-CE2 3.9Å; L150-F166 HydrophobicContact CD1-CZ 4.19Å
151Q96.4Very high94.6Very high72 Ų7263.8 Ų63.834%0.33629%0.289SS..Hα-helixtrans-63.7-36174.1-66.1-56.8-41.200112.5E147 Q148 V149 F153 V154 Q155 E161E147-Q151 WeakPolarHBondContact O-CG 3.32Å; E147-Q151 PolarHBondContact O-N 3.37Å; E147-Q151 VanDerWaalsContact O-N 3.1Å; Q148-Q151 PolarHBondContact O-N 3.17Å; V149-Q151 VanDerWaalsContact C-N 3.32Å; V149-Q151 PolarHBondContact O-N 2.79Å; Q151-F153 VanDerWaalsContact C-N 3.33Å; Q151-F153 PolarHBondContact O-N 3.43Å; Q151-V154 PolarHBondContact O-N 3.02Å; Q151-Q155 VanDerWaalsContact O-CG 3.31Å; Q151-Q155 WeakPolarHBondContact O-CG 3.34Å; Q151-Q155 PolarHBondContact O-N 3.45Å; Q151-E161 PolarHBondContact NE2-OE2 3.39Å
152K95.3Very high94.7Very high67 Ų6767.4 Ų67.429%0.29130%0.304SS..Hα-helixtrans-62.3-39.6172.8-170.9-177.3167.9-165.70111F101 E105 Q148 V149 L150 Q155 N156F101-K152 HydrophobicContact CD1-CD 4.25Å; F101-K152 HydrophobicContact CE1-CD 3.69Å; F101-K152 VanDerWaalsContact CE1-CE 3.44Å; F101-K152 HydrophobicContact CE1-CG 3.87Å; E105-K152 IonicContact OE1-NZ 2.64Å; E105-K152 PolarHBondContact OE1-NZ 2.89Å; E105-K152 IonicContact OE2-NZ 3.81Å; E105-K152 PolarHBondContact OE2-NZ 2.84Å; Q148-K152 PolarHBondContact O-N 2.92Å; V149-K152 CarbonylContact O-C 3.59Å; V149-K152 WeakPolarHBondContact O-CA 3.42Å; V149-K152 VanDerWaalsContact O-CB 3.32Å; V149-K152 WeakPolarHBondContact O-CB 3.39Å; V149-K152 PolarHBondContact O-N 3.48Å; V149-K152 VanDerWaalsContact O-N 3.09Å; L150-K152 VanDerWaalsContact C-N 3.31Å; L150-K152 PolarHBondContact O-N 3.14Å; K152-Q155 PolarHBondContact O-N 3.09Å; K152-N156 WeakPolarHBondContact O-CB 3.37Å; K152-N156 PolarHBondContact O-N 3.48Å; K152-N156 PolarHBondContact O-ND2 3.39Å
153F95.8Very high94.7Very high0 Ų067.5 Ų67.50%031%0.313CS..Hα-helixtrans-63.9-39.2173.6-64.1-41000112.7M97 F101 E105 F109 V149 L150 Q151 N156 K157 W158 L159M97-F153 HydrophobicContact CE-CD1 3.88Å; M97-F153 HydrophobicContact CE-CE1 3.71Å; F101-F153 HydrophobicContact CD1-CD1 4.26Å; F101-F153 AromaticContact CD1-CE1 3.55Å; F101-F153 HydrophobicContact CD1-CE1 3.55Å; F101-F153 HydrophobicContact CD1-CZ 4.37Å; F101-F153 HydrophobicContact CD2-CE1 4.36Å; F101-F153 AromaticContact CE1-CD1 3.6Å; F101-F153 HydrophobicContact CE1-CD1 3.6Å; F101-F153 AromaticContact CE1-CE1 3.36Å; F101-F153 HydrophobicContact CE1-CE1 3.36Å; F101-F153 HydrophobicContact CE1-CZ 4.44Å; F101-F153 HydrophobicContact CE2-CD1 4.38Å; F101-F153 HydrophobicContact CE2-CE1 4.24Å; F101-F153 HydrophobicContact CG-CE1 4.07Å; F101-F153 AromaticContact CZ-CD1 3.69Å; F101-F153 HydrophobicContact CZ-CD1 3.69Å; F101-F153 AromaticContact CZ-CE1 3.76Å; F101-F153 HydrophobicContact CZ-CE1 3.76Å; E105-F153 HydrophobicContact CB-CZ 4.48Å; E105-F153 WeakPolarHBondContact O-CZ 3.12Å; F109-F153 HydrophobicContact CB-CE1 4.25Å; F109-F153 HydrophobicContact CB-CE2 3.87Å; F109-F153 HydrophobicContact CB-CZ 3.68Å; F109-F153 HydrophobicContact CD2-CD1 4.26Å; F109-F153 HydrophobicContact CD2-CD2 4.07Å; F109-F153 HydrophobicContact CD2-CE1 4.33Å; F109-F153 HydrophobicContact CD2-CE2 4.13Å; F109-F153 HydrophobicContact CD2-CG 4.17Å; F109-F153 HydrophobicContact CD2-CZ 4.29Å; F109-F153 HydrophobicContact CG-CZ 4.42Å; V149-F153 HydrophobicContact CG1-CD2 4.32Å; V149-F153 HydrophobicContact CG1-CE1 4.29Å; V149-F153 HydrophobicContact CG1-CE2 3.59Å; V149-F153 HydrophobicContact CG1-CZ 3.54Å; V149-F153 WeakPolarHBondContact O-CD2 3.37Å; V149-F153 PolarHBondContact O-N 3.42Å; L150-F153 HydrophobicContact CD2-CD2 4.17Å; L150-F153 WeakPolarHBondContact O-CB 3.41Å; L150-F153 PolarHBondContact O-N 3.38Å; L150-F153 VanDerWaalsContact O-N 3.14Å; Q151-F153 VanDerWaalsContact C-N 3.33Å; Q151-F153 PolarHBondContact O-N 3.43Å; F153-N156 PolarHBondContact O-N 3.08Å; F153-K157 PolarHBondContact O-N 3.47Å; F153-K157 VanDerWaalsContact O-N 3.16Å; F153-W158 HydrophobicContact CB-CB 4.19Å; F153-W158 PolarHBondContact O-N 3.32Å; F153-L159 HydrophobicContact CB-CB 4.18Å; F153-L159 HydrophobicContact CB-CD1 3.82Å; F153-L159 HydrophobicContact CB-CG 3.89Å; F153-L159 HydrophobicContact CD2-CD1 3.92Å; F153-L159 HydrophobicContact CG-CD1 4.28Å; F153-L159 PolarHBondContact O-N 2.97Å
154V95.6Very high94.6Very high31 Ų3164 Ų6419%0.18831%0.305CS..Hα-helixtrans-64.1-46.2174.9176.60000111.2L150 Q151 N156 K157 L159 E161 F166L150-V154 PolarHBondContact O-N 3.36Å; L150-V154 VanDerWaalsContact O-N 3.08Å; Q151-V154 PolarHBondContact O-N 3.02Å; V154-N156 VanDerWaalsContact C-N 3.3Å; V154-N156 PolarHBondContact O-N 3.4Å; V154-K157 PolarHBondContact O-N 3.46Å; V154-L159 WeakPolarHBondContact CA-O 3.38Å; V154-L159 HydrophobicContact CG2-CB 4.06Å; V154-E161 HydrophobicContact CG2-CB 4.23Å; V154-F166 HydrophobicContact CG2-CD1 4.03Å; V154-F166 HydrophobicContact CG2-CE1 3.79Å
155Q92.8Very high94.7Very high143 Ų14360.7 Ų60.767%0.66829%0.291SS*.Hα-helixtrans-60.2-40.4177.7-71.9173.219.400112.2Q151 K152 K157Q151-Q155 VanDerWaalsContact O-CG 3.31Å; Q151-Q155 WeakPolarHBondContact O-CG 3.34Å; Q151-Q155 PolarHBondContact O-N 3.45Å; K152-Q155 PolarHBondContact O-N 3.09Å; Q155-K157 PolarHBondContact O-N 2.85Å
156N90.7Very high94.9Very high61 Ų6157.4 Ų57.433%0.32628%0.276SS..THydrogen-bonded Turntrans-83.38.1178.6-72.5-81.4000113.6F101 K152 F153 V154 W158 R171F101-N156 HydrophobicContact CZ-CB 4.4Å; K152-N156 WeakPolarHBondContact O-CB 3.37Å; K152-N156 PolarHBondContact O-N 3.48Å; K152-N156 PolarHBondContact O-ND2 3.39Å; F153-N156 PolarHBondContact O-N 3.08Å; V154-N156 VanDerWaalsContact C-N 3.3Å; V154-N156 PolarHBondContact O-N 3.4Å; N156-W158 VanDerWaalsContact C-N 3.3Å; N156-W158 PolarHBondContact O-N 2.95Å; N156-R171 PolarHBondContact O-NH1 3.11Å
157K92.9Very high95Very high91 Ų9157.4 Ų57.440%0.39628%0.276SS..THydrogen-bonded Turntrans61.235.9176.3-50.1-60.1-177.3178.20113.3V27 F153 V154 Q155 H169 R171V27-K157 HydrophobicContact CG1-CB 3.87Å; V27-K157 HydrophobicContact CG1-CG 4.02Å; F153-K157 PolarHBondContact O-N 3.47Å; F153-K157 VanDerWaalsContact O-N 3.16Å; V154-K157 PolarHBondContact O-N 3.46Å; Q155-K157 PolarHBondContact O-N 2.85Å; K157-H169 WeakPolarHBondContact O-CB 3.42Å; K157-H169 VanDerWaalsContact O-CG 3.22Å; K157-H169 PolarHBondContact O-ND1 2.9Å; K157-R171 WeakPolarHBondContact O-CB 3.35Å
158W94.5Very high95.1Very high0 Ų052.9 Ų52.90%026%0.255CS..SBendtrans-94.5-37.2169.5-66.2111.4000111.6M97 F101 F109 F153 N156 H169 A172 E175 M176M97-W158 HydrophobicContact CE-CB 4.3Å; M97-W158 HydrophobicContact CE-CD2 3.97Å; M97-W158 HydrophobicContact CE-CG 3.82Å; M97-W158 HydrophobicContact CG-CD2 3.83Å; M97-W158 VanDerWaalsContact CG-CE2 3.46Å; M97-W158 HydrophobicContact CG-CE3 4.03Å; M97-W158 HydrophobicContact CG-CH2 3.61Å; M97-W158 HydrophobicContact CG-CZ2 3.35Å; M97-W158 HydrophobicContact CG-CZ3 3.93Å; M97-W158 HydrophobicContact SD-CD2 3.61Å; M97-W158 HydrophobicContact SD-CE3 3.63Å; M97-W158 HydrophobicContact SD-CG 4.09Å; M97-W158 HydrophobicContact SD-CH2 4.28Å; M97-W158 HydrophobicContact SD-CZ2 4.25Å; M97-W158 HydrophobicContact SD-CZ3 3.98Å; F101-W158 AromaticContact CE2-NE1 3.8Å; F109-W158 HydrophobicContact CE2-CB 3.96Å; F153-W158 HydrophobicContact CB-CB 4.19Å; F153-W158 PolarHBondContact O-N 3.32Å; N156-W158 VanDerWaalsContact C-N 3.3Å; N156-W158 PolarHBondContact O-N 2.95Å; W158-H169 WeakPolarHBondContact O-CB 3.47Å; W158-H169 PolarHBondContact O-N 2.96Å; W158-A172 HydrophobicContact CE3-CB 3.81Å; W158-A172 HydrophobicContact CZ3-CB 4.4Å; W158-A172 WeakPolarHBondContact O-CB 3.31Å; W158-E175 HydrophobicContact CH2-CB 4.39Å; W158-E175 HydrophobicContact CH2-CG 4.44Å; W158-E175 HydrophobicContact CZ3-CB 4.19Å; W158-M176 HydrophobicContact CE3-SD 4.49Å; W158-M176 HydrophobicContact CZ3-CG 4.49Å; W158-M176 HydrophobicContact CZ3-SD 4.11Å
159L96.5Very high95.1Very high2 Ų248.2 Ų48.21%0.0123%0.233CC..EExtended strand (participates in β ladder)trans-119.9160.7176-64.7178.7000111.5F109 I116 L150 F153 V154 F166 T167 L168F109-L159 HydrophobicContact CE2-CD2 3.97Å; F109-L159 HydrophobicContact CE2-CG 4.13Å; I116-L159 HydrophobicContact CD1-CD2 3.88Å; L150-L159 HydrophobicContact CD2-CD1 4.14Å; F153-L159 HydrophobicContact CB-CB 4.18Å; F153-L159 HydrophobicContact CB-CD1 3.82Å; F153-L159 HydrophobicContact CB-CG 3.89Å; F153-L159 HydrophobicContact CD2-CD1 3.92Å; F153-L159 HydrophobicContact CG-CD1 4.28Å; F153-L159 PolarHBondContact O-N 2.97Å; V154-L159 WeakPolarHBondContact CA-O 3.38Å; V154-L159 HydrophobicContact CG2-CB 4.06Å; L159-F166 HydrophobicContact CB-CD1 4.36Å; L159-F166 HydrophobicContact CD1-CB 4.42Å; L159-F166 HydrophobicContact CD1-CD1 4.28Å; L159-T167 CarbonylContact C-O 3.55Å; L159-T167 VanDerWaalsContact CA-O 3.3Å; L159-T167 WeakPolarHBondContact CA-O 3.37Å; L159-T167 WeakPolarHBondContact CD2-O 3.44Å; L159-L168 HydrophobicContact CD2-CD2 3.89Å
160I96.3Very high95Very high38 Ų3848.3 Ų48.320%0.19524%0.235CC..EExtended strand (participates in β ladder)trans-120.8133.9167.1-63.2168.8000106.9K162 F166 T167 H169I160-K162 HydrophobicContact CG2-CG 4.19Å; I160-F166 CarbonylContact O-C 3.54Å; I160-F166 VanDerWaalsContact O-CA 3.27Å; I160-F166 WeakPolarHBondContact O-CA 3.3Å; I160-T167 HydrophobicContact CB-CG2 3.84Å; I160-T167 HydrophobicContact CG2-CG2 4.39Å; I160-T167 PolarHBondContact N-O 2.91Å; I160-T167 PolarHBondContact O-N 3.08Å; I160-H169 HydrophobicContact CD1-CB 4.35Å; I160-H169 HydrophobicContact CG1-CB 4.01Å; I160-H169 VanDerWaalsContact CG1-CD2 3.47Å; I160-H169 WeakPolarHBondContact CG1-CD2 3.46Å
161E96.2Very high94.9Very high77 Ų7749 Ų4936%0.3624%0.237SC..EExtended strand (participates in β ladder)trans-102.6130.2172.5-172.5179.9-175.800110.1Q151 V154 E165 F166Q151-E161 PolarHBondContact NE2-OE2 3.39Å; V154-E161 HydrophobicContact CG2-CB 4.23Å; E161-E165 CarbonylContact C-O 3.47Å; E161-E165 VanDerWaalsContact CA-O 3.28Å; E161-E165 WeakPolarHBondContact CA-O 3.1Å; E161-F166 HydrophobicContact CB-CD1 3.88Å; E161-F166 HydrophobicContact CB-CE1 3.64Å; E161-F166 HydrophobicContact CB-CZ 4.37Å; E161-F166 HydrophobicContact CG-CD1 4.18Å; E161-F166 HydrophobicContact CG-CE1 3.74Å; E161-F166 HydrophobicContact CG-CZ 3.96Å
162K94Very high94.7Very high79 Ų7945.6 Ų45.634%0.34322%0.222SC..EExtended strand (participates in β ladder)trans-133.3120.2169.9-65.4-175.9-177.7176.10107.5D78 F123 I160 G164 E165D78-K162 IonicContact OD2-NZ 2.91Å; D78-K162 PolarHBondContact OD2-NZ 2.95Å; F123-K162 HydrophobicContact CE1-CB 4.08Å; F123-K162 HydrophobicContact CE1-CD 4.01Å; F123-K162 HydrophobicContact CE1-CG 4.22Å; F123-K162 HydrophobicContact CZ-CD 4.07Å; I160-K162 HydrophobicContact CG2-CG 4.19Å; K162-G164 PolarHBondContact O-N 2.86Å; K162-G164 VanDerWaalsContact O-N 3.11Å; K162-E165 PolarHBondContact N-O 3.16Å; K162-E165 PolarHBondContact O-N 3.07Å
163E92.8Very high94.6Very high207 Ų20743.4 Ų43.497%0.96721%0.213SC*.THydrogen-bonded Turntrans54.133.1175-55-173.1167.400115.4E165E163-E165 VanDerWaalsContact C-N 3.3Å
164G91.8Very high94.4Very high22 Ų2244.1 Ų44.123%0.22722%0.217CC..THydrogen-bonded Turntrans81.87.1-179.200000114.6S126 K162S126-G164 WeakPolarHBondContact CB-O 3.43Å; S126-G164 PolarHBondContact N-O 3.31Å; S126-G164 PolarHBondContact OG-O 3.35Å; S126-G164 VanDerWaalsContact OG-O 3.13Å; K162-G164 PolarHBondContact O-N 2.86Å; K162-G164 VanDerWaalsContact O-N 3.11Å
165E96.4Very high94.1Very high80 Ų8043 Ų4337%0.37421%0.209SC..EExtended strand (participates in β ladder)trans-108.7151.6168.2-50.4-164.7129.900111.2F123 A124 E161 K162 E163F123-E165 HydrophobicContact CB-CB 4.02Å; F123-E165 WeakPolarHBondContact CB-OE2 3.28Å; F123-E165 HydrophobicContact CD1-CB 4.13Å; A124-E165 CarbonylContact O-C 3.59Å; A124-E165 WeakPolarHBondContact O-CA 3.49Å; E161-E165 CarbonylContact C-O 3.47Å; E161-E165 VanDerWaalsContact CA-O 3.28Å; E161-E165 WeakPolarHBondContact CA-O 3.1Å; K162-E165 PolarHBondContact N-O 3.16Å; K162-E165 PolarHBondContact O-N 3.07Å; E163-E165 VanDerWaalsContact C-N 3.3Å
166F97.8Very high93.9Very high4 Ų436.2 Ų36.22%0.01818%0.178CC..EExtended strand (participates in β ladder)trans-116.8140.4-177.1-63.7-87.6000111.4I116 F123 A124 I129 L150 V154 L159 I160 E161I116-F166 WeakPolarHBondContact CG1-O 3.27Å; F123-F166 CarbonylContact C-O 3.58Å; F123-F166 WeakPolarHBondContact CA-O 3.38Å; A124-F166 PolarHBondContact N-O 3.17Å; A124-F166 PolarHBondContact O-N 3.23Å; I129-F166 HydrophobicContact CD1-CB 4.18Å; I129-F166 HydrophobicContact CD1-CD2 3.78Å; I129-F166 HydrophobicContact CD1-CG 4.31Å; L150-F166 HydrophobicContact CB-CE1 4.21Å; L150-F166 HydrophobicContact CB-CE2 4.5Å; L150-F166 HydrophobicContact CB-CZ 3.99Å; L150-F166 HydrophobicContact CD1-CD2 4.47Å; L150-F166 HydrophobicContact CD1-CE2 3.9Å; L150-F166 HydrophobicContact CD1-CZ 4.19Å; V154-F166 HydrophobicContact CG2-CD1 4.03Å; V154-F166 HydrophobicContact CG2-CE1 3.79Å; L159-F166 HydrophobicContact CB-CD1 4.36Å; L159-F166 HydrophobicContact CD1-CB 4.42Å; L159-F166 HydrophobicContact CD1-CD1 4.28Å; I160-F166 CarbonylContact O-C 3.54Å; I160-F166 VanDerWaalsContact O-CA 3.27Å; I160-F166 WeakPolarHBondContact O-CA 3.3Å; E161-F166 HydrophobicContact CB-CD1 3.88Å; E161-F166 HydrophobicContact CB-CE1 3.64Å; E161-F166 HydrophobicContact CB-CZ 4.37Å; E161-F166 HydrophobicContact CG-CD1 4.18Å; E161-F166 HydrophobicContact CG-CE1 3.74Å; E161-F166 HydrophobicContact CG-CZ 3.96Å
167T97.7Very high93.9Very high0 Ų035 Ų350%017%0.17CC..EExtended strand (participates in β ladder)trans-130.1170.3169.5-169.20000110.2G122 F123 L159 I160 I199G122-T167 WeakPolarHBondContact O-CB 3.46Å; G122-T167 PolarHBondContact O-OG1 3.38Å; F123-T167 HydrophobicContact CD1-CG2 4.08Å; F123-T167 HydrophobicContact CE1-CG2 3.43Å; F123-T167 VanDerWaalsContact CE1-CG2 3.43Å; F123-T167 HydrophobicContact CE2-CG2 4.47Å; F123-T167 HydrophobicContact CZ-CG2 3.67Å; L159-T167 CarbonylContact C-O 3.55Å; L159-T167 VanDerWaalsContact CA-O 3.3Å; L159-T167 WeakPolarHBondContact CA-O 3.37Å; L159-T167 WeakPolarHBondContact CD2-O 3.44Å; I160-T167 HydrophobicContact CB-CG2 3.84Å; I160-T167 HydrophobicContact CG2-CG2 4.39Å; I160-T167 PolarHBondContact N-O 2.91Å; I160-T167 PolarHBondContact O-N 3.08Å; T167-I199 WeakPolarHBondContact OG1-CG2 3.38Å
168L96.7Very high93.7Very high3 Ų334.4 Ų34.42%0.01617%0.169CC..EExtended strand (participates in β ladder)trans-70.8136.7175.5-72.6-172.3000111.3F109 L113 I116 L159 A172 I173 I180 I199F109-L168 HydrophobicContact CE2-CD2 4.43Å; F109-L168 HydrophobicContact CZ-CD2 4.02Å; L113-L168 HydrophobicContact CD1-CD1 3.65Å; L113-L168 HydrophobicContact CD1-CD2 3.99Å; L113-L168 HydrophobicContact CD1-CG 4.17Å; I116-L168 HydrophobicContact CG2-CG 4.25Å; L159-L168 HydrophobicContact CD2-CD2 3.89Å; L168-A172 HydrophobicContact CB-CB 4.45Å; L168-A172 HydrophobicContact CD2-CB 4.12Å; L168-I173 HydrophobicContact CB-CD1 4.39Å; L168-I173 HydrophobicContact CB-CG1 4.12Å; L168-I173 HydrophobicContact CD1-CG1 4.24Å; L168-I180 HydrophobicContact CD1-CD1 3.82Å; L168-I199 HydrophobicContact CB-CG1 4.33Å; L168-I199 HydrophobicContact CD1-CD1 3.79Å; L168-I199 HydrophobicContact CD1-CG1 3.97Å; L168-I199 HydrophobicContact CG-CG1 4.49Å
169H96.1Very high93.4Very high27 Ų2736.2 Ų36.213%0.12518%0.176CC..  trans-72.3148.8168.2-166.4-83.8000110.2K157 W158 I160 R171 A172 I173K157-H169 WeakPolarHBondContact O-CB 3.42Å; K157-H169 VanDerWaalsContact O-CG 3.22Å; K157-H169 PolarHBondContact O-ND1 2.9Å; W158-H169 WeakPolarHBondContact O-CB 3.47Å; W158-H169 PolarHBondContact O-N 2.96Å; I160-H169 HydrophobicContact CD1-CB 4.35Å; I160-H169 HydrophobicContact CG1-CB 4.01Å; I160-H169 VanDerWaalsContact CG1-CD2 3.47Å; I160-H169 WeakPolarHBondContact CG1-CD2 3.46Å; H169-R171 WeakPolarHBondContact ND1-CB 3.3Å; H169-R171 PolarHBondContact ND1-N 2.74Å; H169-R171 VanDerWaalsContact ND1-N 3.15Å; H169-R171 PolarHBondContact O-N 3.1Å; H169-A172 WeakPolarHBondContact O-CA 3.44Å; H169-A172 WeakPolarHBondContact O-CB 3.38Å; H169-A172 PolarHBondContact O-N 3.16Å; H169-I173 PolarHBondContact O-N 2.78Å
170G93.8Very high93.2Very high8 Ų836.2 Ų36.28%0.08218%0.176CC..Hα-helixtrans-56.9-26.2177.700000114.2L174G170-L174 WeakPolarHBondContact O-CB 3.45Å; G170-L174 WeakPolarHBondContact O-CG 3.42Å; G170-L174 PolarHBondContact O-N 3.42Å
171R92.5Very high93Very high17 Ų1737.9 Ų37.96%0.06418%0.18CC..Hα-helixtrans-63.3-46.6170178.1-171.3172.8-172.4-0.5111.7V27 A85 N156 K157 H169 I173 L174 E175V27-R171 HydrophobicContact CB-CB 3.89Å; V27-R171 HydrophobicContact CB-CG 4.12Å; V27-R171 HydrophobicContact CG1-CB 3.92Å; V27-R171 HydrophobicContact CG1-CG 4.41Å; V27-R171 HydrophobicContact CG2-CB 4.24Å; A85-R171 HydrophobicContact CB-CG 4.47Å; N156-R171 PolarHBondContact O-NH1 3.11Å; K157-R171 WeakPolarHBondContact O-CB 3.35Å; H169-R171 WeakPolarHBondContact ND1-CB 3.3Å; H169-R171 PolarHBondContact ND1-N 2.74Å; H169-R171 VanDerWaalsContact ND1-N 3.15Å; H169-R171 PolarHBondContact O-N 3.1Å; R171-I173 VanDerWaalsContact C-N 3.3Å; R171-I173 PolarHBondContact O-N 2.93Å; R171-L174 PolarHBondContact O-N 2.9Å; R171-E175 HydrophobicContact CG-CG 4.35Å; R171-E175 IonicContact CZ-OE1 2.88Å; R171-E175 IonicContact NE-OE1 3.46Å; R171-E175 PolarHBondContact NE-OE1 3.29Å; R171-E175 IonicContact NH2-OE1 3.18Å; R171-E175 PolarHBondContact NH2-OE1 3.49Å; R171-E175 WeakPolarHBondContact O-CB 3.44Å; R171-E175 WeakPolarHBondContact O-CG 3.41Å; R171-E175 PolarHBondContact O-N 3.14Å
172A92.9Very high92.7Very high1 Ų139.6 Ų39.61%0.00819%0.188CC..Hα-helixtrans-62-41.5179.300000110.8W158 L168 H169 E175 M176W158-A172 HydrophobicContact CE3-CB 3.81Å; W158-A172 HydrophobicContact CZ3-CB 4.4Å; W158-A172 WeakPolarHBondContact O-CB 3.31Å; L168-A172 HydrophobicContact CB-CB 4.45Å; L168-A172 HydrophobicContact CD2-CB 4.12Å; H169-A172 WeakPolarHBondContact O-CA 3.44Å; H169-A172 WeakPolarHBondContact O-CB 3.38Å; H169-A172 PolarHBondContact O-N 3.16Å; A172-E175 PolarHBondContact O-N 2.69Å; A172-M176 WeakPolarHBondContact O-CA 3.41Å; A172-M176 VanDerWaalsContact O-CB 3.26Å; A172-M176 WeakPolarHBondContact O-CB 3.32Å; A172-M176 PolarHBondContact O-N 2.89Å
173I93.8Very high92.6Very high20 Ų2038.7 Ų38.710%0.10319%0.189CC..Hα-helixtrans-61.6-49.9174.3-62.2161.2000110.1E77 L168 H169 R171 E175 M176 E177 L197 I199E77-I173 HydrophobicContact CG-CD1 4.1Å; L168-I173 HydrophobicContact CB-CD1 4.39Å; L168-I173 HydrophobicContact CB-CG1 4.12Å; L168-I173 HydrophobicContact CD1-CG1 4.24Å; H169-I173 PolarHBondContact O-N 2.78Å; R171-I173 VanDerWaalsContact C-N 3.3Å; R171-I173 PolarHBondContact O-N 2.93Å; I173-E175 VanDerWaalsContact C-N 3.31Å; I173-E175 PolarHBondContact O-N 3.43Å; I173-M176 PolarHBondContact O-N 2.81Å; I173-E177 WeakPolarHBondContact O-CA 3.39Å; I173-E177 WeakPolarHBondContact O-CB 3.36Å; I173-E177 PolarHBondContact O-N 3.16Å; I173-L197 HydrophobicContact CG2-CD2 4.47Å; I173-I199 HydrophobicContact CD1-CG1 3.89Å; I173-I199 HydrophobicContact CG1-CG1 4.02Å
174L91.3Very high92.6Very high15 Ų1530.8 Ų30.88%0.07915%0.15CC..Hα-helixtrans-57.7-41.7178.8-81.6174.1000113.3K72 I83 A85 V87 G170 R171K72-L174 HydrophobicContact CB-CD2 4.39Å; K72-L174 HydrophobicContact CD-CD2 3.83Å; K72-L174 HydrophobicContact CG-CD2 3.9Å; I83-L174 HydrophobicContact CD1-CD1 3.89Å; I83-L174 HydrophobicContact CG1-CD1 4.05Å; A85-L174 HydrophobicContact CB-CD1 4.14Å; V87-L174 VanDerWaalsContact CG1-O 3.31Å; V87-L174 WeakPolarHBondContact CG1-O 3.06Å; V87-L174 HydrophobicContact CG2-CB 4.01Å; G170-L174 WeakPolarHBondContact O-CB 3.45Å; G170-L174 WeakPolarHBondContact O-CG 3.42Å; G170-L174 PolarHBondContact O-N 3.42Å; R171-L174 PolarHBondContact O-N 2.9Å
175E89.3Confident92.7Very high7 Ų733.5 Ų33.53%0.03316%0.164CC..Hα-helixtrans-79.4-34.6-178.8-66.7-147.5-138.800112.8V87 S93 K96 W158 R171 A172 I173V87-E175 HydrophobicContact CG2-CG 4.28Å; S93-E175 WeakPolarHBondContact CB-O 3.48Å; S93-E175 PolarHBondContact OG-O 2.96Å; K96-E175 WeakPolarHBondContact CD-OE2 3.47Å; K96-E175 IonicContact NZ-OE1 3.87Å; K96-E175 PolarHBondContact NZ-OE1 3.11Å; K96-E175 IonicContact NZ-OE2 2.67Å; K96-E175 PolarHBondContact NZ-OE2 3.17Å; W158-E175 HydrophobicContact CH2-CB 4.39Å; W158-E175 HydrophobicContact CH2-CG 4.44Å; W158-E175 HydrophobicContact CZ3-CB 4.19Å; R171-E175 HydrophobicContact CG-CG 4.35Å; R171-E175 IonicContact CZ-OE1 2.88Å; R171-E175 IonicContact NE-OE1 3.46Å; R171-E175 PolarHBondContact NE-OE1 3.29Å; R171-E175 IonicContact NH2-OE1 3.18Å; R171-E175 PolarHBondContact NH2-OE1 3.49Å; R171-E175 WeakPolarHBondContact O-CB 3.44Å; R171-E175 WeakPolarHBondContact O-CG 3.41Å; R171-E175 PolarHBondContact O-N 3.14Å; A172-E175 PolarHBondContact O-N 2.69Å; I173-E175 VanDerWaalsContact C-N 3.31Å; I173-E175 PolarHBondContact O-N 3.43Å
176M88.6Confident92.6Very high2 Ų237.6 Ų37.61%0.0119%0.189CC..Hα-helixtrans-118.64.4-166.1-56.3179.465.200115.2S93 I94 M97 F109 W158 A172 I173 Q178 Y179 I180S93-M176 WeakPolarHBondContact OG-CA 3.48Å; I94-M176 HydrophobicContact CG1-CE 4.39Å; M97-M176 HydrophobicContact SD-SD 4.05Å; F109-M176 HydrophobicContact CE1-CE 4.06Å; F109-M176 HydrophobicContact CE1-SD 3.98Å; F109-M176 HydrophobicContact CZ-SD 4.43Å; W158-M176 HydrophobicContact CE3-SD 4.49Å; W158-M176 HydrophobicContact CZ3-CG 4.49Å; W158-M176 HydrophobicContact CZ3-SD 4.11Å; A172-M176 WeakPolarHBondContact O-CA 3.41Å; A172-M176 VanDerWaalsContact O-CB 3.26Å; A172-M176 WeakPolarHBondContact O-CB 3.32Å; A172-M176 PolarHBondContact O-N 2.89Å; I173-M176 PolarHBondContact O-N 2.81Å; M176-Q178 VanDerWaalsContact C-N 3.27Å; M176-Q178 PolarHBondContact O-N 3.35Å; M176-Y179 HydrophobicContact CE-CD1 3.64Å; M176-Y179 HydrophobicContact CE-CE1 3.91Å; M176-Y179 HydrophobicContact CE-CG 4.46Å; M176-Y179 PolarHBondContact O-N 3.49Å; M176-Y179 VanDerWaalsContact O-N 3.11Å; M176-I180 HydrophobicContact CB-CD1 4.08Å; M176-I180 HydrophobicContact CB-CG1 4.3Å; M176-I180 VanDerWaalsContact O-CG1 3.31Å; M176-I180 WeakPolarHBondContact O-CG1 3.46Å; M176-I180 PolarHBondContact O-N 3.42Å
177E90.1Very high92.4Very high35 Ų3538.8 Ų38.816%0.16420%0.2CC..Hα-helixtrans-50.4-46.8-179171.3170.2-163.100112.5I173 I180 R181 L197I173-E177 WeakPolarHBondContact O-CA 3.39Å; I173-E177 WeakPolarHBondContact O-CB 3.36Å; I173-E177 PolarHBondContact O-N 3.16Å; E177-I180 PolarHBondContact O-N 3.09Å; E177-R181 VanDerWaalsContact O-CG 3.31Å; E177-R181 WeakPolarHBondContact O-CG 3.45Å; E177-R181 PolarHBondContact O-N 3.49Å; E177-R181 IonicContact OE1-CZ 3.38Å; E177-R181 IonicContact OE1-NE 3.04Å; E177-R181 PolarHBondContact OE1-NE 3.31Å; E177-R181 IonicContact OE1-NH2 2.81Å; E177-R181 PolarHBondContact OE1-NH2 3.36Å; E177-L197 HydrophobicContact CB-CD2 4.39Å; E177-L197 HydrophobicContact CG-CB 3.83Å; E177-L197 HydrophobicContact CG-CD2 4.32Å; E177-L197 PolarHBondContact OE1-N 3.38Å
178Q88.1Confident92.3Very high79 Ų7940 Ų4037%0.36921%0.207SC..Hα-helixtrans-63.2-49.4179.5-179.4167.710.300111.8M176 I180 R181 E182M176-Q178 VanDerWaalsContact C-N 3.27Å; M176-Q178 PolarHBondContact O-N 3.35Å; Q178-I180 VanDerWaalsContact C-N 3.3Å; Q178-I180 PolarHBondContact O-N 3.1Å; Q178-R181 PolarHBondContact O-N 3.01Å; Q178-E182 HydrophobicContact CG-CG 4.47Å; Q178-E182 VanDerWaalsContact CG-OE1 3.27Å; Q178-E182 WeakPolarHBondContact CG-OE1 3.49Å; Q178-E182 PolarHBondContact NE2-OE1 3.4Å; Q178-E182 WeakPolarHBondContact O-CG 3.34Å; Q178-E182 PolarHBondContact O-N 3.07Å
179Y88.8Confident92.2Very high38 Ų3841 Ų4115%0.14921%0.211CC..Hα-helixtrans-56.4-44.6177.2167.8-95.3000111.7L113 M176 E182 T183L113-Y179 HydrophobicContact CD2-CE1 4.3Å; M176-Y179 HydrophobicContact CE-CD1 3.64Å; M176-Y179 HydrophobicContact CE-CE1 3.91Å; M176-Y179 HydrophobicContact CE-CG 4.46Å; M176-Y179 PolarHBondContact O-N 3.49Å; M176-Y179 VanDerWaalsContact O-N 3.11Å; Y179-E182 PolarHBondContact O-N 3.43Å; Y179-T183 WeakPolarHBondContact CE2-OG1 3.33Å; Y179-T183 VanDerWaalsContact O-CB 3.24Å; Y179-T183 WeakPolarHBondContact O-CB 3.45Å; Y179-T183 PolarHBondContact O-N 2.97Å; Y179-T183 PolarHBondContact O-OG1 2.86Å
180I91.8Very high92.2Very high2 Ų243.5 Ų43.51%0.0122%0.224CC..Hα-helixtrans-62.8-45.6-179.2-69.2166.5000110.6L113 I117 L168 M176 E177 Q178 T183 Y184 V188 L197L113-I180 HydrophobicContact CD1-CD1 4.04Å; L113-I180 HydrophobicContact CD1-CG1 4.26Å; L113-I180 HydrophobicContact CD2-CG1 4.19Å; I117-I180 HydrophobicContact CD1-CG2 3.69Å; I117-I180 HydrophobicContact CG1-CG2 4.44Å; L168-I180 HydrophobicContact CD1-CD1 3.82Å; M176-I180 HydrophobicContact CB-CD1 4.08Å; M176-I180 HydrophobicContact CB-CG1 4.3Å; M176-I180 VanDerWaalsContact O-CG1 3.31Å; M176-I180 WeakPolarHBondContact O-CG1 3.46Å; M176-I180 PolarHBondContact O-N 3.42Å; E177-I180 PolarHBondContact O-N 3.09Å; Q178-I180 VanDerWaalsContact C-N 3.3Å; Q178-I180 PolarHBondContact O-N 3.1Å; I180-T183 PolarHBondContact O-N 2.98Å; I180-Y184 HydrophobicContact CG2-CD2 4.41Å; I180-Y184 PolarHBondContact O-N 3.33Å; I180-V188 HydrophobicContact CG2-CG1 3.66Å; I180-L197 HydrophobicContact CB-CD2 4.01Å; I180-L197 HydrophobicContact CD1-CD2 3.88Å; I180-L197 HydrophobicContact CG2-CD1 4.06Å; I180-L197 HydrophobicContact CG2-CD2 3.75Å
181R92.3Very high92.4Very high72 Ų7243.1 Ų43.127%0.27222%0.22SC..Hα-helixtrans-64-40.4178.9-72.8171.5175.5-101.316.5113E177 Q178 P185 H195E177-R181 VanDerWaalsContact O-CG 3.31Å; E177-R181 WeakPolarHBondContact O-CG 3.45Å; E177-R181 PolarHBondContact O-N 3.49Å; E177-R181 IonicContact OE1-CZ 3.38Å; E177-R181 IonicContact OE1-NE 3.04Å; E177-R181 PolarHBondContact OE1-NE 3.31Å; E177-R181 IonicContact OE1-NH2 2.81Å; E177-R181 PolarHBondContact OE1-NH2 3.36Å; Q178-R181 PolarHBondContact O-N 3.01Å; R181-P185 WeakPolarHBondContact O-CA 3.31Å; R181-H195 PolarHBondContact NH2-O 3.15Å
182E91.5Very high92.6Very high113 Ų11344.8 Ų44.853%0.52823%0.231SC..Hα-helixtrans-74-32.9179.7-70.8175.3-169.900112.2Q178 Y179Q178-E182 HydrophobicContact CG-CG 4.47Å; Q178-E182 VanDerWaalsContact CG-OE1 3.27Å; Q178-E182 WeakPolarHBondContact CG-OE1 3.49Å; Q178-E182 PolarHBondContact NE2-OE1 3.4Å; Q178-E182 WeakPolarHBondContact O-CG 3.34Å; Q178-E182 PolarHBondContact O-N 3.07Å; Y179-E182 PolarHBondContact O-N 3.43Å
183T91.3Very high92.8Very high61 Ų6147.5 Ų47.537%0.37424%0.244SC..Hα-helixtrans-84-33.8-176.8-520000112.7Y179 I180Y179-T183 WeakPolarHBondContact CE2-OG1 3.33Å; Y179-T183 VanDerWaalsContact O-CB 3.24Å; Y179-T183 WeakPolarHBondContact O-CB 3.45Å; Y179-T183 PolarHBondContact O-N 2.97Å; Y179-T183 PolarHBondContact O-OG1 2.86Å; I180-T183 PolarHBondContact O-N 2.98Å
184Y92.6Very high92.9Very high40 Ų4048.8 Ų48.816%0.15726%0.255CS..  trans-127.550.8-173.9-51.6-74.2000113L113 E114 I117 I180 D186 A187 V188L113-Y184 HydrophobicContact CD2-CE2 3.94Å; L113-Y184 HydrophobicContact CG-CE2 4.33Å; E114-Y184 HydrophobicContact CG-CE1 3.78Å; I117-Y184 HydrophobicContact CD1-CD2 3.5Å; I117-Y184 VanDerWaalsContact CD1-CD2 3.5Å; I117-Y184 HydrophobicContact CD1-CE2 3.94Å; I117-Y184 HydrophobicContact CD1-CG 4Å; I180-Y184 HydrophobicContact CG2-CD2 4.41Å; I180-Y184 PolarHBondContact O-N 3.33Å; Y184-D186 PolarHBondContact O-N 3.35Å; Y184-D186 VanDerWaalsContact O-N 3.11Å; Y184-A187 PolarHBondContact O-N 3.47Å; Y184-A187 VanDerWaalsContact O-N 3.13Å; Y184-V188 WeakPolarHBondContact O-CG1 3.15Å; Y184-V188 WeakPolarHBondContact O-CG2 3.42Å; Y184-V188 PolarHBondContact O-N 2.93Å; Y184-V188 VanDerWaalsContact O-N 3.08Å
185P93.8Very high93.1Very high80 Ų8054.3 Ų54.352%0.51928%0.28SS..THydrogen-bonded Turntrans-58.9-31.1-170.425.3-35.8000114R181 V188R181-P185 WeakPolarHBondContact O-CA 3.31Å; P185-V188 WeakPolarHBondContact O-CG2 3.47Å
186D93.8Very high93.4Very high165 Ų16556 Ų5688%0.88229%0.293SS*.THydrogen-bonded Turntrans-85.6-18.8-176.9-58-43.5000113.6Y184Y184-D186 PolarHBondContact O-N 3.35Å; Y184-D186 VanDerWaalsContact O-N 3.11Å
187A93.7Very high93.7Very high30 Ų3056.1 Ų56.125%0.24829%0.293CS..THydrogen-bonded Turntrans-104.7-22-175.900000113.1I117 D118 Y184I117-A187 HydrophobicContact CG2-CB 3.72Å; I117-A187 WeakPolarHBondContact CG2-O 3.28Å; D118-A187 WeakPolarHBondContact OD1-CB 3.4Å; Y184-A187 PolarHBondContact O-N 3.47Å; Y184-A187 VanDerWaalsContact O-N 3.13Å
188V94.9Very high94.1Very high25 Ų2554.6 Ų54.615%0.15229%0.287CS..  trans-64.4137.9179.7-71.40000112I117 I180 Y184 P185 L197I117-V188 HydrophobicContact CG2-CG1 4.5Å; I180-V188 HydrophobicContact CG2-CG1 3.66Å; Y184-V188 WeakPolarHBondContact O-CG1 3.15Å; Y184-V188 WeakPolarHBondContact O-CG2 3.42Å; Y184-V188 PolarHBondContact O-N 2.93Å; Y184-V188 VanDerWaalsContact O-N 3.08Å; P185-V188 WeakPolarHBondContact O-CG2 3.47Å; V188-L197 HydrophobicContact CB-CD1 3.87Å; V188-L197 HydrophobicContact CG1-CD1 3.74Å
189K95.6Very high94.5Very high23 Ų2351.1 Ų51.110%0.127%0.27CS..EExtended strand (participates in β ladder)trans-99.5144.2173.7-58.6157.7-169.9167.90108.5I117 S119 L198I117-K189 PolarHBondContact O-NZ 3Å; S119-K189 VanDerWaalsContact C-NZ 3.35Å; S119-K189 PolarHBondContact O-NZ 3.34Å; K189-L198 HydrophobicContact CB-CB 4.33Å; K189-L198 HydrophobicContact CB-CD2 4.16Å; K189-L198 WeakPolarHBondContact CB-O 3.43Å; K189-L198 PolarHBondContact O-N 3.43Å
190I96.7Very high94.8Very high80 Ų8050.1 Ų50.141%0.4127%0.267SS..EExtended strand (participates in β ladder)trans-124.4136.1-178.1-60176.6000108.5H195I190-H195 HydrophobicContact CG2-CB 4.48Å; I190-H195 WeakPolarHBondContact CG2-O 3.31Å
191C97.4Very high94.9Very high0 Ų051.7 Ų51.70%028%0.283CS..BIsolated β-bridgetrans-71.1132.2175.1175.50000111.4I193 C194 H195 S196 L198 R210 H212C191-I193 PolarHBondContact O-N 3.48Å; C191-I193 PolarHBondContact SG-N 3.24Å; C191-C194 WeakPolarHBondContact CB-SG 3.39Å; C191-C194 VanDerWaalsContact SG-SG 3.68Å; C191-H195 WeakPolarHBondContact O-CA 3.36Å; C191-H195 PolarHBondContact O-N 2.88Å; C191-S196 PolarHBondContact N-O 3.07Å; C191-S196 VanDerWaalsContact N-O 3.1Å; C191-L198 HydrophobicContact CB-CD1 3.99Å; C191-R210 CarbonylContact C-O 3.6Å; C191-R210 WeakPolarHBondContact CA-O 3.36Å; C191-H212 VanDerWaalsContact CB-ND1 3.31Å; C191-H212 WeakPolarHBondContact CB-ND1 3.39Å
192N97.1Very high95.1Very high53 Ų5349.5 Ų49.528%0.28328%0.276SS..THydrogen-bonded Turntrans-67.2-13.1178-167.583.8000114.6I209 R210 M211N192-I209 HydrophobicContact CB-CB 4.35Å; N192-I209 HydrophobicContact CB-CD1 4.07Å; N192-R210 PolarHBondContact N-O 2.67Å; N192-M211 HydrophobicContact CB-CG 4.1Å
193I96.3Very high95.3Very high57 Ų5745.9 Ų45.929%0.29226%0.263SS..THydrogen-bonded Turntrans-101.6-56.1-177.7-57.3-55.2000111.4C191 H195 M211 C215 Y219 P229C191-I193 PolarHBondContact O-N 3.48Å; C191-I193 PolarHBondContact SG-N 3.24Å; I193-H195 PolarHBondContact O-ND1 3.28Å; I193-M211 HydrophobicContact CD1-CE 3.73Å; I193-M211 HydrophobicContact CD1-SD 4.14Å; I193-M211 HydrophobicContact CG1-CE 3.25Å; I193-M211 HydrophobicContact CG1-CG 4.14Å; I193-M211 HydrophobicContact CG1-SD 3.93Å; I193-C215 HydrophobicContact CB-CB 4.03Å; I193-C215 HydrophobicContact CG1-CB 4.23Å; I193-C215 HydrophobicContact CG2-CB 4.39Å; I193-Y219 HydrophobicContact CD1-CD2 3.79Å; I193-Y219 HydrophobicContact CD1-CE2 4.14Å; I193-Y219 HydrophobicContact CD1-CG 4.1Å; I193-P229 HydrophobicContact CD1-CG 4.32Å
194C95.9Very high95.6Very high48 Ų4843.1 Ų43.132%0.32425%0.246SC..THydrogen-bonded Turntrans-92.5-7.8-176.2710000113.4C191 S196 H212C191-C194 WeakPolarHBondContact CB-SG 3.39Å; C191-C194 VanDerWaalsContact SG-SG 3.68Å; C194-S196 PolarHBondContact O-N 3.37Å; C194-S196 PolarHBondContact O-OG 3.46Å; C194-S196 VanDerWaalsContact SG-CB 3.5Å; C194-S196 PolarHBondContact SG-N 3.39Å; C194-S196 VanDerWaalsContact SG-N 3.45Å; C194-H212 VanDerWaalsContact SG-CE1 3.54Å; C194-H212 PolarHBondContact SG-ND1 2.72Å
195H95.7Very high95.7Very high130 Ų13048.4 Ų48.460%0.60227%0.273SS*.  trans55.117-176.4-51.498.7000114.4R181 I190 C191 I193R181-H195 PolarHBondContact NH2-O 3.15Å; I190-H195 HydrophobicContact CG2-CB 4.48Å; I190-H195 WeakPolarHBondContact CG2-O 3.31Å; C191-H195 WeakPolarHBondContact O-CA 3.36Å; C191-H195 PolarHBondContact O-N 2.88Å; I193-H195 PolarHBondContact O-ND1 3.28Å
196S94.9Very high95.8Very high44 Ų4448.8 Ų48.831%0.30827%0.274SS..SBendtrans-90163178.3-54.40000111C191 C194 L198C191-S196 PolarHBondContact N-O 3.07Å; C191-S196 VanDerWaalsContact N-O 3.1Å; C194-S196 PolarHBondContact O-N 3.37Å; C194-S196 PolarHBondContact O-OG 3.46Å; C194-S196 VanDerWaalsContact SG-CB 3.5Å; C194-S196 PolarHBondContact SG-N 3.39Å; C194-S196 VanDerWaalsContact SG-N 3.45Å; S196-L198 PolarHBondContact O-N 3.37Å
197L95.9Very high95.9Very high3 Ų343.1 Ų43.12%0.01625%0.246CC..EExtended strand (participates in β ladder)trans-56.5135.5175.7175.767.5000109.3I173 E177 I180 V188 I199 H212I173-L197 HydrophobicContact CG2-CD2 4.47Å; E177-L197 HydrophobicContact CB-CD2 4.39Å; E177-L197 HydrophobicContact CG-CB 3.83Å; E177-L197 HydrophobicContact CG-CD2 4.32Å; E177-L197 PolarHBondContact OE1-N 3.38Å; I180-L197 HydrophobicContact CB-CD2 4.01Å; I180-L197 HydrophobicContact CD1-CD2 3.88Å; I180-L197 HydrophobicContact CG2-CD1 4.06Å; I180-L197 HydrophobicContact CG2-CD2 3.75Å; V188-L197 HydrophobicContact CB-CD1 3.87Å; V188-L197 HydrophobicContact CG1-CD1 3.74Å; L197-I199 HydrophobicContact CD1-CD1 4.47Å; L197-I199 HydrophobicContact CD2-CD1 4.23Å; L197-I199 HydrophobicContact CG-CD1 4.24Å; L197-H212 PolarHBondContact O-CE1 2.99Å; L197-H212 VanDerWaalsContact O-CE1 3.22Å; L197-H212 PolarHBondContact O-NE2 3.36Å
198L97.1Very high95.9Very high4 Ų443.7 Ų43.72%0.02126%0.255CS..EExtended strand (participates in β ladder)trans-120118.1179.6-176.3158000109.1E77 K189 C191 S196 R210 M211 H212E77-L198 WeakPolarHBondContact OE1-CA 3.47Å; K189-L198 HydrophobicContact CB-CB 4.33Å; K189-L198 HydrophobicContact CB-CD2 4.16Å; K189-L198 WeakPolarHBondContact CB-O 3.43Å; K189-L198 PolarHBondContact O-N 3.43Å; C191-L198 HydrophobicContact CB-CD1 3.99Å; S196-L198 PolarHBondContact O-N 3.37Å; L198-R210 HydrophobicContact CD1-CB 3.84Å; L198-R210 HydrophobicContact CD2-CB 4.35Å; L198-M211 VanDerWaalsContact CD1-C 3.44Å; L198-H212 WeakPolarHBondContact CA-NE2 3.27Å
199I96.8Very high96Very high5 Ų543.6 Ų43.63%0.02625%0.253CS..SBendtrans-93.3-53.3172.1-55.8-61.3000109.6E77 I116 G122 T167 L168 I173 L197E77-I199 PolarHBondContact OE1-N 3.22Å; E77-I199 WeakPolarHBondContact OE2-CA 3.3Å; E77-I199 VanDerWaalsContact OE2-CB 3.24Å; E77-I199 WeakPolarHBondContact OE2-CB 3.43Å; E77-I199 PolarHBondContact OE2-N 3.48Å; E77-I199 VanDerWaalsContact OE2-N 3.12Å; I116-I199 HydrophobicContact CG2-CG2 3.51Å; G122-I199 WeakPolarHBondContact CA-O 3.43Å; T167-I199 WeakPolarHBondContact OG1-CG2 3.38Å; L168-I199 HydrophobicContact CB-CG1 4.33Å; L168-I199 HydrophobicContact CD1-CD1 3.79Å; L168-I199 HydrophobicContact CD1-CG1 3.97Å; L168-I199 HydrophobicContact CG-CG1 4.49Å; I173-I199 HydrophobicContact CD1-CG1 3.89Å; I173-I199 HydrophobicContact CG1-CG1 4.02Å; L197-I199 HydrophobicContact CD1-CD1 4.47Å; L197-I199 HydrophobicContact CD2-CD1 4.23Å; L197-I199 HydrophobicContact CG-CD1 4.24Å
200Q94.9Very high96Very high18 Ų1845.7 Ų45.78%0.08426%0.261CS..SBendtrans-121.3146.5175.773.7-163.4-89.700111.6E77 T121 F123E77-Q200 HydrophobicContact CB-CG 3.71Å; E77-Q200 PolarHBondContact OE2-N 2.92Å; T121-Q200 WeakPolarHBondContact O-CB 3.44Å; F123-Q200 HydrophobicContact CE2-CB 4.31Å
201G95.2Very high96Very high34 Ų3441.9 Ų41.935%0.35124%0.241SC..  trans-179.1-175.3-174.400000113.1M211G201-M211 CarbonylContact C-O 3.57Å; G201-M211 VanDerWaalsContact CA-O 3.23Å; G201-M211 WeakPolarHBondContact CA-O 3.35Å
202Q96.1Very high96.1Very high27 Ų2742.7 Ų42.713%0.12625%0.245CC..EExtended strand (participates in β ladder)trans-104.7145.1170.7-69.1179.1-3.600109.9R210 M211 L213 V216 W235 H237 E238Q202-R210 CarbonylContact O-C 3.57Å; Q202-R210 WeakPolarHBondContact O-CA 3.39Å; Q202-M211 PolarHBondContact N-O 2.87Å; Q202-M211 PolarHBondContact O-N 3.36Å; Q202-L213 HydrophobicContact CG-CD1 4.26Å; Q202-V216 HydrophobicContact CB-CG2 4.34Å; Q202-W235 HydrophobicContact CB-CZ2 3.72Å; Q202-H237 VanDerWaalsContact CD-CB 3.46Å; Q202-H237 HydrophobicContact CG-CB 4.13Å; Q202-E238 PolarHBondContact NE2-O 3.38Å
203S96.4Very high96Very high36 Ų3642.3 Ų42.325%0.25224%0.243SC..EExtended strand (participates in β ladder)trans-116.9142.3179.459.20000112I209 H237S203-I209 CarbonylContact C-O 3.53Å; S203-I209 VanDerWaalsContact CA-O 3.25Å; S203-I209 WeakPolarHBondContact CA-O 3.47Å; S203-H237 PolarHBondContact O-CD2 2.91Å; S203-H237 PolarHBondContact O-NE2 2.92Å
204C96.4Very high96Very high3 Ų341 Ų412%0.0224%0.238CC..  trans-73.6128.4169178.90000110T206 G208 I209 C228 C231 W235C204-T206 VanDerWaalsContact C-N 3.29Å; C204-T206 PolarHBondContact O-N 2.98Å; C204-G208 VanDerWaalsContact O-CA 3.24Å; C204-G208 WeakPolarHBondContact O-CA 3.4Å; C204-G208 PolarHBondContact O-N 2.67Å; C204-I209 HydrophobicContact CB-CG1 3.77Å; C204-I209 PolarHBondContact N-O 2.77Å; C204-C228 VanDerWaalsContact SG-SG 3.62Å; C204-C231 VanDerWaalsContact SG-SG 3.64Å; C204-W235 HydrophobicContact CB-CZ3 3.91Å
205E95.1Very high96Very high152 Ų15239.8 Ų39.871%0.7123%0.23SC*.THydrogen-bonded Turntrans-67.2-29.2178.7-70.2176.7-171.400112.9P236E205-P236 HydrophobicContact CG-CG 3.92Å
206T95.6Very high96.1Very high88 Ų8833.6 Ų33.654%0.5420%0.201SC..THydrogen-bonded Turntrans-83.1-42.4-174.3-44.60000113.2C204 D233C204-T206 VanDerWaalsContact C-N 3.29Å; C204-T206 PolarHBondContact O-N 2.98Å; T206-D233 WeakPolarHBondContact CB-OD2 3.41Å; T206-D233 WeakPolarHBondContact CG2-OD2 3.18Å; T206-D233 PolarHBondContact OG1-OD2 3.33Å
207C95.6Very high96.1Very high46 Ų4631.6 Ų31.631%0.31119%0.187SC..THydrogen-bonded Turntrans-121.4-4.3-174.565.50000114.7I209 C228 C231C207-I209 VanDerWaalsContact C-N 3.25Å; C207-I209 PolarHBondContact O-N 3.09Å; C207-C228 VanDerWaalsContact SG-SG 3.6Å; C207-C231 HydrophobicContact CB-CB 4.04Å
208G94.3Very high96Very high42 Ų4238.8 Ų38.843%0.43322%0.219SC..  trans74.14.6174.900000115.8C204C204-G208 VanDerWaalsContact O-CA 3.24Å; C204-G208 WeakPolarHBondContact O-CA 3.4Å; C204-G208 PolarHBondContact O-N 2.67Å
209I96.1Very high95.9Very high22 Ų2244.1 Ų44.111%0.11324%0.239CC..  trans-60147.1173.369160.5000110N192 S203 C204 C207 M211 C228 P229 H230 W235N192-I209 HydrophobicContact CB-CB 4.35Å; N192-I209 HydrophobicContact CB-CD1 4.07Å; S203-I209 CarbonylContact C-O 3.53Å; S203-I209 VanDerWaalsContact CA-O 3.25Å; S203-I209 WeakPolarHBondContact CA-O 3.47Å; C204-I209 HydrophobicContact CB-CG1 3.77Å; C204-I209 PolarHBondContact N-O 2.77Å; C207-I209 VanDerWaalsContact C-N 3.25Å; C207-I209 PolarHBondContact O-N 3.09Å; I209-M211 HydrophobicContact CD1-SD 4.36Å; I209-C228 WeakPolarHBondContact CD1-SG 3.28Å; I209-P229 HydrophobicContact CD1-CG 3.66Å; I209-H230 HydrophobicContact CD1-CB 3.95Å; I209-H230 HydrophobicContact CG2-CB 3.78Å; I209-W235 HydrophobicContact CD1-CZ3 4.43Å
210R96.8Very high95.8Very high67 Ų6744 Ų4425%0.25324%0.239SC..EExtended strand (participates in β ladder)trans-119.1145.8178.5-61.3-165.9178.487.2-3.1111.4E120 C191 N192 L198 Q202E120-R210 IonicContact OE1-CZ 3.24Å; E120-R210 VanDerWaalsContact OE1-CZ 3.24Å; E120-R210 IonicContact OE1-NE 2.94Å; E120-R210 PolarHBondContact OE1-NE 2.8Å; E120-R210 IonicContact OE1-NH2 2.73Å; E120-R210 PolarHBondContact OE1-NH2 2.88Å; E120-R210 IonicContact OE2-CZ 3.81Å; E120-R210 IonicContact OE2-NH2 2.78Å; E120-R210 PolarHBondContact OE2-NH2 2.91Å; C191-R210 CarbonylContact C-O 3.6Å; C191-R210 WeakPolarHBondContact CA-O 3.36Å; N192-R210 PolarHBondContact N-O 2.67Å; L198-R210 HydrophobicContact CD1-CB 3.84Å; L198-R210 HydrophobicContact CD2-CB 4.35Å; Q202-R210 CarbonylContact O-C 3.57Å; Q202-R210 WeakPolarHBondContact O-CA 3.39Å
211M97.4Very high95.7Very high0 Ų048.6 Ų48.60%026%0.26CS..EExtended strand (participates in β ladder)trans-138137.7179.2-68.517551.400110.7N192 I193 L198 G201 Q202 I209 V216 Y219 F220 P229 W235N192-M211 HydrophobicContact CB-CG 4.1Å; I193-M211 HydrophobicContact CD1-CE 3.73Å; I193-M211 HydrophobicContact CD1-SD 4.14Å; I193-M211 HydrophobicContact CG1-CE 3.25Å; I193-M211 HydrophobicContact CG1-CG 4.14Å; I193-M211 HydrophobicContact CG1-SD 3.93Å; L198-M211 VanDerWaalsContact CD1-C 3.44Å; G201-M211 CarbonylContact C-O 3.57Å; G201-M211 VanDerWaalsContact CA-O 3.23Å; G201-M211 WeakPolarHBondContact CA-O 3.35Å; Q202-M211 PolarHBondContact N-O 2.87Å; Q202-M211 PolarHBondContact O-N 3.36Å; I209-M211 HydrophobicContact CD1-SD 4.36Å; M211-V216 HydrophobicContact CB-CG2 3.53Å; M211-V216 HydrophobicContact CE-CG2 3.98Å; M211-Y219 HydrophobicContact CE-CD1 4.2Å; M211-Y219 HydrophobicContact CE-CG 4.21Å; M211-F220 HydrophobicContact CE-CE2 4.3Å; M211-P229 HydrophobicContact SD-CG 3.87Å; M211-W235 HydrophobicContact CB-CH2 4.43Å; M211-W235 HydrophobicContact CG-CH2 4.32Å; M211-W235 HydrophobicContact SD-CH2 3.91Å; M211-W235 HydrophobicContact SD-CZ3 4.25Å
212H97.7Very high95.3Very high17 Ų1753 Ų538%0.07929%0.285CS..  trans-60.3147.2171.2-63119.4000110.2E77 C191 C194 L197 L198 C215 V216E77-H212 IonicContact OE1-CD2 3.54Å; E77-H212 PolarHBondContact OE1-CD2 3.44Å; E77-H212 IonicContact OE1-NE2 3.29Å; E77-H212 PolarHBondContact OE1-NE2 3.21Å; C191-H212 VanDerWaalsContact CB-ND1 3.31Å; C191-H212 WeakPolarHBondContact CB-ND1 3.39Å; C194-H212 VanDerWaalsContact SG-CE1 3.54Å; C194-H212 PolarHBondContact SG-ND1 2.72Å; L197-H212 PolarHBondContact O-CE1 2.99Å; L197-H212 VanDerWaalsContact O-CE1 3.22Å; L197-H212 PolarHBondContact O-NE2 3.36Å; L198-H212 WeakPolarHBondContact CA-NE2 3.27Å; H212-C215 HydrophobicContact CB-CB 4.12Å; H212-C215 WeakPolarHBondContact O-CA 3.36Å; H212-C215 WeakPolarHBondContact O-CB 3.2Å; H212-C215 PolarHBondContact O-N 3.33Å; H212-V216 WeakPolarHBondContact O-CG2 3.47Å; H212-V216 PolarHBondContact O-N 2.78Å
213L96.1Very high94.9Very high45 Ų4555.4 Ų55.424%0.23630%0.299CS..Hα-helixtrans-53.6-45.9177.3-85.263.4000112.3D78 Q202 C215 V216 A217 P240D78-L213 WeakPolarHBondContact O-CD2 3.4Å; Q202-L213 HydrophobicContact CG-CD1 4.26Å; L213-C215 VanDerWaalsContact C-N 3.28Å; L213-C215 PolarHBondContact O-N 2.95Å; L213-V216 WeakPolarHBondContact O-CB 3.36Å; L213-V216 PolarHBondContact O-N 3.49Å; L213-A217 WeakPolarHBondContact O-CB 3.41Å; L213-A217 PolarHBondContact O-N 3.46Å; L213-P240 HydrophobicContact CB-CG 4.12Å; L213-P240 HydrophobicContact CG-CG 4.14Å
214P96Very high94.5Very high30 Ų3058.9 Ų58.920%0.19533%0.33CS..Hα-helixtrans-64.2-29.9175.5-24.634.4000114.2T76 E77 K218T76-P214 WeakPolarHBondContact O-CG 3.41Å; E77-P214 WeakPolarHBondContact O-CD 3.49Å; P214-K218 WeakPolarHBondContact O-CB 3.45Å; P214-K218 PolarHBondContact O-N 2.88Å; P214-K218 VanDerWaalsContact O-N 3.12Å
215C96.5Very high94.3Very high23 Ų2363.5 Ų63.516%0.15535%0.351CS..Hα-helixtrans-72.1-42176.1-720000110.9I193 H212 L213 K218 Y219I193-C215 HydrophobicContact CB-CB 4.03Å; I193-C215 HydrophobicContact CG1-CB 4.23Å; I193-C215 HydrophobicContact CG2-CB 4.39Å; H212-C215 HydrophobicContact CB-CB 4.12Å; H212-C215 WeakPolarHBondContact O-CA 3.36Å; H212-C215 WeakPolarHBondContact O-CB 3.2Å; H212-C215 PolarHBondContact O-N 3.33Å; L213-C215 VanDerWaalsContact C-N 3.28Å; L213-C215 PolarHBondContact O-N 2.95Å; C215-K218 PolarHBondContact O-N 3.37Å; C215-Y219 WeakPolarHBondContact O-CB 3.46Å; C215-Y219 PolarHBondContact O-N 2.78Å
216V96.2Very high94.3Very high0 Ų056.8 Ų56.80%032%0.321CS..Hα-helixtrans-58.1-51.6171.9174.50000110Q202 M211 H212 L213 K218 Y219 F220 W235 I239Q202-V216 HydrophobicContact CB-CG2 4.34Å; M211-V216 HydrophobicContact CB-CG2 3.53Å; M211-V216 HydrophobicContact CE-CG2 3.98Å; H212-V216 WeakPolarHBondContact O-CG2 3.47Å; H212-V216 PolarHBondContact O-N 2.78Å; L213-V216 WeakPolarHBondContact O-CB 3.36Å; L213-V216 PolarHBondContact O-N 3.49Å; V216-K218 VanDerWaalsContact C-N 3.3Å; V216-K218 PolarHBondContact O-N 2.98Å; V216-Y219 PolarHBondContact O-N 3.28Å; V216-F220 HydrophobicContact CB-CD2 4.43Å; V216-F220 HydrophobicContact CG1-CD2 3.64Å; V216-F220 HydrophobicContact CG1-CE2 4.11Å; V216-F220 WeakPolarHBondContact O-CD2 3.44Å; V216-F220 PolarHBondContact O-N 2.9Å; V216-W235 HydrophobicContact CG2-CZ2 3.94Å; V216-I239 HydrophobicContact CG1-CD1 3.78Å; V216-I239 HydrophobicContact CG1-CG2 4.44Å
217A95.1Very high94.3Very high2 Ų257 Ų572%0.01731%0.312CS..Hα-helixtrans-53.3-46.6-179.600000112.3L213 Q221 P240 V242L213-A217 WeakPolarHBondContact O-CB 3.41Å; L213-A217 PolarHBondContact O-N 3.46Å; A217-Q221 WeakPolarHBondContact O-CA 3.26Å; A217-Q221 WeakPolarHBondContact O-CB 3.35Å; A217-Q221 PolarHBondContact O-N 3.28Å; A217-P240 VanDerWaalsContact CA-O 3.3Å; A217-P240 WeakPolarHBondContact CA-O 3.3Å; A217-P240 HydrophobicContact CB-CB 4.13Å; A217-P240 WeakPolarHBondContact CB-O 3.32Å; A217-V242 HydrophobicContact CB-CG2 3.97Å; A217-V242 WeakPolarHBondContact O-CG2 3.37Å
218K94.8Very high94.3Very high154 Ų15454.9 Ų54.967%0.6730%0.297SS*.Hα-helixtrans-75.1-39.4-179.6-173.1175.9179.51800112.8P214 C215 V216 Q221 V242P214-K218 WeakPolarHBondContact O-CB 3.45Å; P214-K218 PolarHBondContact O-N 2.88Å; P214-K218 VanDerWaalsContact O-N 3.12Å; C215-K218 PolarHBondContact O-N 3.37Å; V216-K218 VanDerWaalsContact C-N 3.3Å; V216-K218 PolarHBondContact O-N 2.98Å; K218-Q221 WeakPolarHBondContact O-CB 3.41Å; K218-Q221 PolarHBondContact O-N 3.18Å; K218-V242 HydrophobicContact CB-CG2 4.43Å
219Y95.1Very high94.4Very high115 Ų11555 Ų5545%0.45129%0.291SS..Hα-helixtrans-70.8-40.7-176.4-176.9-98.6000112I193 M211 C215 V216 Q221 P229I193-Y219 HydrophobicContact CD1-CD2 3.79Å; I193-Y219 HydrophobicContact CD1-CE2 4.14Å; I193-Y219 HydrophobicContact CD1-CG 4.1Å; M211-Y219 HydrophobicContact CE-CD1 4.2Å; M211-Y219 HydrophobicContact CE-CG 4.21Å; C215-Y219 WeakPolarHBondContact O-CB 3.46Å; C215-Y219 PolarHBondContact O-N 2.78Å; V216-Y219 PolarHBondContact O-N 3.28Å; Y219-Q221 VanDerWaalsContact C-N 3.32Å; Y219-P229 HydrophobicContact CE1-CB 4.1Å; Y219-P229 HydrophobicContact CE1-CG 4.31Å
220F94.9Very high94.4Very high4 Ų460.1 Ų60.12%0.01831%0.314CS..THydrogen-bonded Turntrans-93.310.8177.4-62.4-59000113.4M211 V216 S222 N223 P226 R227 W235 I239M211-F220 HydrophobicContact CE-CE2 4.3Å; V216-F220 HydrophobicContact CB-CD2 4.43Å; V216-F220 HydrophobicContact CG1-CD2 3.64Å; V216-F220 HydrophobicContact CG1-CE2 4.11Å; V216-F220 WeakPolarHBondContact O-CD2 3.44Å; V216-F220 PolarHBondContact O-N 2.9Å; F220-S222 PolarHBondContact O-N 3.49Å; F220-N223 PolarHBondContact O-N 3.49Å; F220-P226 HydrophobicContact CB-CB 4.28Å; F220-P226 HydrophobicContact CB-CG 4.43Å; F220-P226 HydrophobicContact CD1-CB 3.63Å; F220-P226 HydrophobicContact CD2-CB 4.38Å; F220-P226 HydrophobicContact CE1-CB 3.98Å; F220-P226 HydrophobicContact CG-CB 3.85Å; F220-P226 HydrophobicContact CZ-CB 4.46Å; F220-R227 WeakPolarHBondContact CE1-O 3.45Å; F220-R227 WeakPolarHBondContact CZ-O 3.39Å; F220-W235 HydrophobicContact CE2-CB 4.43Å; F220-W235 AromaticContact CE2-CD2 3.77Å; F220-W235 HydrophobicContact CE2-CD2 3.77Å; F220-W235 HydrophobicContact CE2-CE3 4.11Å; F220-W235 AromaticContact CE2-CG 3.91Å; F220-W235 HydrophobicContact CE2-CG 3.91Å; F220-W235 HydrophobicContact CZ-CB 4.33Å; F220-W235 HydrophobicContact CZ-CD2 4.08Å; F220-W235 HydrophobicContact CZ-CE3 4.06Å; F220-W235 HydrophobicContact CZ-CG 4.21Å; F220-I239 HydrophobicContact CB-CD1 4.01Å; F220-I239 HydrophobicContact CB-CG1 4.15Å; F220-I239 HydrophobicContact CB-CG2 3.75Å; F220-I239 HydrophobicContact CD2-CD1 3.63Å; F220-I239 HydrophobicContact CE2-CD1 4.34Å; F220-I239 HydrophobicContact CG-CD1 4Å
221Q91.7Very high94.3Very high113 Ų11359.2 Ų59.253%0.52832%0.317SS..THydrogen-bonded Turntrans-56.2125.9179-169.5173.719.200110A217 K218 Y219 N223 V242A217-Q221 WeakPolarHBondContact O-CA 3.26Å; A217-Q221 WeakPolarHBondContact O-CB 3.35Å; A217-Q221 PolarHBondContact O-N 3.28Å; K218-Q221 WeakPolarHBondContact O-CB 3.41Å; K218-Q221 PolarHBondContact O-N 3.18Å; Y219-Q221 VanDerWaalsContact C-N 3.32Å; Q221-N223 PolarHBondContact O-N 3.2Å; Q221-N223 VanDerWaalsContact O-N 3.14Å; Q221-V242 HydrophobicContact CB-CG2 4.41Å; Q221-V242 HydrophobicContact CG-CG2 4.21Å
222S86.6Confident94.2Very high127 Ų12764.4 Ų64.489%0.88835%0.345SS*.THydrogen-bonded Turntrans62.115.4179.4-530000115.2F220F220-S222 PolarHBondContact O-N 3.49Å
223N88.3Confident94.2Very high78 Ų7866.9 Ų66.942%0.41736%0.359SS..  trans-94118.3171.6-170.4-8000110.2F220 Q221 E225F220-N223 PolarHBondContact O-N 3.49Å; Q221-N223 PolarHBondContact O-N 3.2Å; Q221-N223 VanDerWaalsContact O-N 3.14Å; N223-E225 VanDerWaalsContact C-N 3.28Å; N223-E225 PolarHBondContact ND2-O 3.2Å; N223-E225 PolarHBondContact O-N 2.84Å; N223-E225 PolarHBondContact OD1-N 3.16Å; N223-E225 PolarHBondContact OD1-O 2.76Å
224A87.4Confident94.2Very high108 Ų10871.2 Ų71.289%0.89337%0.373SS*.SBendtrans-72.9-20.7178.400000113.3
225E92.8Very high94.2Very high100 Ų10069.8 Ų69.847%0.46736%0.364SS..SBendtrans-130.281178.4-163.9179.6101.400110.3N223 R227 Y234N223-E225 VanDerWaalsContact C-N 3.28Å; N223-E225 PolarHBondContact ND2-O 3.2Å; N223-E225 PolarHBondContact O-N 2.84Å; N223-E225 PolarHBondContact OD1-N 3.16Å; N223-E225 PolarHBondContact OD1-O 2.76Å; E225-R227 PolarHBondContact O-N 3.21Å; E225-R227 IonicContact OE1-CZ 3.13Å; E225-R227 IonicContact OE1-NE 2.83Å; E225-R227 PolarHBondContact OE1-NE 2.92Å; E225-R227 IonicContact OE1-NH2 2.65Å; E225-R227 PolarHBondContact OE1-NH2 3.19Å; E225-Y234 HydrophobicContact CG-CD2 4.5Å
226P94.8Very high94Very high11 Ų1171 Ų717%0.07137%0.371CS..  trans-59.7124.4179.4-26.137.2000112.2F220 W235 I239F220-P226 HydrophobicContact CB-CB 4.28Å; F220-P226 HydrophobicContact CB-CG 4.43Å; F220-P226 HydrophobicContact CD1-CB 3.63Å; F220-P226 HydrophobicContact CD2-CB 4.38Å; F220-P226 HydrophobicContact CE1-CB 3.98Å; F220-P226 HydrophobicContact CG-CB 3.85Å; F220-P226 HydrophobicContact CZ-CB 4.46Å; P226-W235 HydrophobicContact CB-CB 3.77Å; P226-W235 PolarHBondContact O-N 3.38Å; P226-I239 HydrophobicContact CB-CD1 3.87Å; P226-I239 HydrophobicContact CB-CG1 4.12Å; P226-I239 HydrophobicContact CG-CD1 3.95Å; P226-I239 HydrophobicContact CG-CG1 3.61Å
227R95.8Very high93.9Very high93 Ų9374 Ų7435%0.35139%0.385SS..BIsolated β-bridgetrans-126.2135.3179.2-71.5-179.3174.8-81.2-3.3112.5F220 E225 N232 D233F220-R227 WeakPolarHBondContact CE1-O 3.45Å; F220-R227 WeakPolarHBondContact CZ-O 3.39Å; E225-R227 PolarHBondContact O-N 3.21Å; E225-R227 IonicContact OE1-CZ 3.13Å; E225-R227 IonicContact OE1-NE 2.83Å; E225-R227 PolarHBondContact OE1-NE 2.92Å; E225-R227 IonicContact OE1-NH2 2.65Å; E225-R227 PolarHBondContact OE1-NH2 3.19Å; R227-N232 WeakPolarHBondContact CD-OD1 3.5Å; R227-N232 PolarHBondContact NH1-O 3.05Å; R227-D233 CarbonylContact C-O 3.48Å; R227-D233 VanDerWaalsContact CA-O 3.26Å; R227-D233 WeakPolarHBondContact CA-O 3.33Å
228C96.7Very high93.8Very high1 Ų182.1 Ų82.11%0.00742%0.423CS..  trans-53126.1179.4176.10000111.4C204 C207 I209 H230 C231 N232 D233 W235C204-C228 VanDerWaalsContact SG-SG 3.62Å; C207-C228 VanDerWaalsContact SG-SG 3.6Å; I209-C228 WeakPolarHBondContact CD1-SG 3.28Å; C228-H230 PolarHBondContact O-N 3.45Å; C228-H230 VanDerWaalsContact O-N 3.09Å; C228-C231 VanDerWaalsContact CB-SG 3.59Å; C228-C231 PolarHBondContact SG-SG 3.07Å; C228-N232 WeakPolarHBondContact O-CA 3.34Å; C228-N232 PolarHBondContact O-N 3.41Å; C228-D233 PolarHBondContact N-O 3.39Å; C228-W235 HydrophobicContact CB-CE3 4.12Å; C228-W235 HydrophobicContact CB-CZ3 4.32Å
229P95.7Very high93.7Very high46 Ų4677 Ų7730%0.29940%0.402SS..THydrogen-bonded Turntrans-63-17.7-178.623.2-34.4000114.4I193 I209 M211 Y219I193-P229 HydrophobicContact CD1-CG 4.32Å; I209-P229 HydrophobicContact CD1-CG 3.66Å; M211-P229 HydrophobicContact SD-CG 3.87Å; Y219-P229 HydrophobicContact CE1-CB 4.1Å; Y219-P229 HydrophobicContact CE1-CG 4.31Å
230H95.7Very high93.6Very high129 Ų12973.2 Ų73.260%0.59739%0.392SS*.THydrogen-bonded Turntrans-99.5-49.9-176.4-176.6-92.1000113.2I209 C228I209-H230 HydrophobicContact CD1-CB 3.95Å; I209-H230 HydrophobicContact CG2-CB 3.78Å; C228-H230 PolarHBondContact O-N 3.45Å; C228-H230 VanDerWaalsContact O-N 3.09Å
231C96.4Very high93.3Very high48 Ų4880 Ų8032%0.32442%0.424SS..THydrogen-bonded Turntrans-105.1-3.7-177.665.20000114.5C204 C207 C228 D233C204-C231 VanDerWaalsContact SG-SG 3.64Å; C207-C231 HydrophobicContact CB-CB 4.04Å; C228-C231 VanDerWaalsContact CB-SG 3.59Å; C228-C231 PolarHBondContact SG-SG 3.07Å; C231-D233 PolarHBondContact O-N 2.89Å; C231-D233 VanDerWaalsContact O-N 3.11Å; C231-D233 VanDerWaalsContact SG-CB 3.56Å
232N95.1Very high93.2Very high108 Ų10877.2 Ų77.258%0.57841%0.414SS*.  trans60.613.1-177.8-160.638.6000115.6R227 C228R227-N232 WeakPolarHBondContact CD-OD1 3.5Å; R227-N232 PolarHBondContact NH1-O 3.05Å; C228-N232 WeakPolarHBondContact O-CA 3.34Å; C228-N232 PolarHBondContact O-N 3.41Å
233D96.4Very high93.3Very high69 Ų6973.8 Ų73.837%0.36938%0.383SS..  trans-75.9162.1174.6-152.4-10.3000111.7T206 R227 C228 C231T206-D233 WeakPolarHBondContact CB-OD2 3.41Å; T206-D233 WeakPolarHBondContact CG2-OD2 3.18Å; T206-D233 PolarHBondContact OG1-OD2 3.33Å; R227-D233 CarbonylContact C-O 3.48Å; R227-D233 VanDerWaalsContact CA-O 3.26Å; R227-D233 WeakPolarHBondContact CA-O 3.33Å; C228-D233 PolarHBondContact N-O 3.39Å; C231-D233 PolarHBondContact O-N 2.89Å; C231-D233 VanDerWaalsContact O-N 3.11Å; C231-D233 VanDerWaalsContact SG-CB 3.56Å
234Y95.6Very high93.2Very high136 Ų13672.9 Ų72.953%0.53338%0.378SS..BIsolated β-bridgetrans-61.4137.4178.5-177.9-97.9000111E225 P236E225-Y234 HydrophobicContact CG-CD2 4.5Å; Y234-P236 WeakPolarHBondContact O-CD 3.46Å
235W96.4Very high92.7Very high1 Ų171 Ų710%0.00436%0.357CS..  trans-78.8115.1177-164.8-100.7000110.1Q202 C204 I209 M211 V216 F220 P226 C228 H237 I239Q202-W235 HydrophobicContact CB-CZ2 3.72Å; C204-W235 HydrophobicContact CB-CZ3 3.91Å; I209-W235 HydrophobicContact CD1-CZ3 4.43Å; M211-W235 HydrophobicContact CB-CH2 4.43Å; M211-W235 HydrophobicContact CG-CH2 4.32Å; M211-W235 HydrophobicContact SD-CH2 3.91Å; M211-W235 HydrophobicContact SD-CZ3 4.25Å; V216-W235 HydrophobicContact CG2-CZ2 3.94Å; F220-W235 HydrophobicContact CE2-CB 4.43Å; F220-W235 AromaticContact CE2-CD2 3.77Å; F220-W235 HydrophobicContact CE2-CD2 3.77Å; F220-W235 HydrophobicContact CE2-CE3 4.11Å; F220-W235 AromaticContact CE2-CG 3.91Å; F220-W235 HydrophobicContact CE2-CG 3.91Å; F220-W235 HydrophobicContact CZ-CB 4.33Å; F220-W235 HydrophobicContact CZ-CD2 4.08Å; F220-W235 HydrophobicContact CZ-CE3 4.06Å; F220-W235 HydrophobicContact CZ-CG 4.21Å; P226-W235 HydrophobicContact CB-CB 3.77Å; P226-W235 PolarHBondContact O-N 3.38Å; C228-W235 HydrophobicContact CB-CE3 4.12Å; C228-W235 HydrophobicContact CB-CZ3 4.32Å; W235-H237 VanDerWaalsContact C-N 3.28Å; W235-H237 AromaticContact NE1-CD2 3.97Å; W235-H237 PolarHBondContact O-N 3.12Å; W235-I239 VanDerWaalsContact CD1-CD1 3.47Å; W235-I239 HydrophobicContact CG-CD1 4.24Å
236P92.4Very high91.7Very high49 Ų4972.7 Ų72.732%0.31837%0.365SS..  trans-76.9-14.9-167.929.5-33.8000113.7E205 Y234E205-P236 HydrophobicContact CG-CG 3.92Å; Y234-P236 WeakPolarHBondContact O-CD 3.46Å
237H94Very high90.5Very high62 Ų6277.4 Ų77.429%0.28738%0.384SS..SBendtrans-98.1157.3-173-54.8-66000112.9Q202 S203 W235 I239Q202-H237 VanDerWaalsContact CD-CB 3.46Å; Q202-H237 HydrophobicContact CG-CB 4.13Å; S203-H237 PolarHBondContact O-CD2 2.91Å; S203-H237 PolarHBondContact O-NE2 2.92Å; W235-H237 VanDerWaalsContact C-N 3.28Å; W235-H237 AromaticContact NE1-CD2 3.97Å; W235-H237 PolarHBondContact O-N 3.12Å; H237-I239 PolarHBondContact O-N 3.36Å
238E92.8Very high89.1Confident172 Ų17276.2 Ų76.280%0.80438%0.383SS*.PPolyproline II helixtrans-61.6133.8170.5-173.8178-179.500110.8Q202 P240Q202-E238 PolarHBondContact NE2-O 3.38Å; E238-P240 WeakPolarHBondContact O-CD 3.37Å
239I93.6Very high87.3Confident46 Ų4683.6 Ų83.624%0.23641%0.411CS..PPolyproline II helixtrans-82.7117178.2-54.2-51.8000108.9V216 F220 P226 W235 H237V216-I239 HydrophobicContact CG1-CD1 3.78Å; V216-I239 HydrophobicContact CG1-CG2 4.44Å; F220-I239 HydrophobicContact CB-CD1 4.01Å; F220-I239 HydrophobicContact CB-CG1 4.15Å; F220-I239 HydrophobicContact CB-CG2 3.75Å; F220-I239 HydrophobicContact CD2-CD1 3.63Å; F220-I239 HydrophobicContact CE2-CD1 4.34Å; F220-I239 HydrophobicContact CG-CD1 4Å; P226-I239 HydrophobicContact CB-CD1 3.87Å; P226-I239 HydrophobicContact CB-CG1 4.12Å; P226-I239 HydrophobicContact CG-CD1 3.95Å; P226-I239 HydrophobicContact CG-CG1 3.61Å; W235-I239 VanDerWaalsContact CD1-CD1 3.47Å; W235-I239 HydrophobicContact CG-CD1 4.24Å; H237-I239 PolarHBondContact O-N 3.36Å
240P92.4Very high85.4Confident37 Ų3788.3 Ų88.324%0.2443%0.429CS..PPolyproline II helixtrans-67154178.5-14.829000111.5L213 A217 E238L213-P240 HydrophobicContact CB-CG 4.12Å; L213-P240 HydrophobicContact CG-CG 4.14Å; A217-P240 VanDerWaalsContact CA-O 3.3Å; A217-P240 WeakPolarHBondContact CA-O 3.3Å; A217-P240 HydrophobicContact CB-CB 4.13Å; A217-P240 WeakPolarHBondContact CB-O 3.32Å; E238-P240 WeakPolarHBondContact O-CD 3.37Å
241E89.5Confident83.5Confident147 Ų14784 Ų8469%0.68741%0.413SS*.PPolyproline II helixtrans-70.6144168.9-69.9-166.8-165.500110.9F243 K247E241-F243 PolarHBondContact O-N 3.21Å; E241-K247 IonicContact OE2-NZ 3.19Å; E241-K247 PolarHBondContact OE2-NZ 3.29Å
242V89.8Confident81.4Confident53 Ų5383.1 Ų83.132%0.32141%0.412SS..PPolyproline II helixtrans-66.3135.2172.8179.60000109.1A217 K218 Q221 D244A217-V242 HydrophobicContact CB-CG2 3.97Å; A217-V242 WeakPolarHBondContact O-CG2 3.37Å; K218-V242 HydrophobicContact CB-CG2 4.43Å; Q221-V242 HydrophobicContact CB-CG2 4.41Å; Q221-V242 HydrophobicContact CG-CG2 4.21Å; V242-D244 PolarHBondContact O-N 3.33Å
243F88.8Confident79.2Confident55 Ų5583 Ų8324%0.24141%0.411CS..PPolyproline II helixtrans-53.7121.7175.1-178.2-101.3000111.4D79 R81 P82 E241 P245 E248D79-F243 WeakPolarHBondContact O-CB 3.3Å; R81-F243 HydrophobicContact CB-CE2 4.36Å; R81-F243 HydrophobicContact CG-CD2 3.87Å; R81-F243 HydrophobicContact CG-CE2 3.35Å; R81-F243 HydrophobicContact CG-CZ 3.79Å; P82-F243 VanDerWaalsContact CD-CE1 3.46Å; P82-F243 HydrophobicContact CG-CE1 4.3Å; E241-F243 PolarHBondContact O-N 3.21Å; F243-P245 HydrophobicContact CE1-CB 4Å; F243-P245 HydrophobicContact CE1-CG 4.48Å; F243-P245 HydrophobicContact CZ-CB 4.44Å; F243-E248 HydrophobicContact CE2-CG 3.94Å; F243-E248 HydrophobicContact CZ-CG 4.47Å
244D85.3Confident76.7Confident59 Ų5982.8 Ų82.832%0.31641%0.414SS..  trans-120.3111.7175.7-174.4-13.8000110.1V242 E246 K247 E248V242-D244 PolarHBondContact O-N 3.33Å; D244-E246 PolarHBondContact O-N 2.81Å; D244-E246 WeakPolarHBondContact OD1-CB 3.47Å; D244-E246 PolarHBondContact OD1-N 3.05Å; D244-K247 HydrophobicContact CB-CB 4.21Å; D244-K247 HydrophobicContact CB-CD 4.12Å; D244-K247 HydrophobicContact CB-CG 4.13Å; D244-K247 PolarHBondContact O-N 3.4Å; D244-E248 PolarHBondContact O-N 3.01Å
245P76.1Confident74.3Confident69 Ų6983.3 Ų83.345%0.44842%0.419SS..Hα-helixtrans-65.8-17-179.826.8-33.2000113.8F243 R249F243-P245 HydrophobicContact CE1-CB 4Å; F243-P245 HydrophobicContact CE1-CG 4.48Å; F243-P245 HydrophobicContact CZ-CB 4.44Å; P245-R249 WeakPolarHBondContact O-CG 3.37Å
246E73.3Confident71.7Confident135 Ų13586.8 Ų86.863%0.63144%0.443SS*.Hα-helixtrans-81.3-45.7177.6-61.6-168.6159.800111.6D244 E248 R249 E250D244-E246 PolarHBondContact O-N 2.81Å; D244-E246 WeakPolarHBondContact OD1-CB 3.47Å; D244-E246 PolarHBondContact OD1-N 3.05Å; E246-E248 VanDerWaalsContact C-N 3.28Å; E246-E248 PolarHBondContact O-N 3.24Å; E246-R249 WeakPolarHBondContact O-CB 3.42Å; E246-R249 PolarHBondContact O-N 2.92Å; E246-E250 PolarHBondContact O-N 3.11Å
247K69.5Low69.3Low110 Ų11089 Ų8948%0.47845%0.453SS..Hα-helixtrans-58.6-38.4174.3-71.8-175.9-179-179.70112.7E241 D244 R249 E250 S251E241-K247 IonicContact OE2-NZ 3.19Å; E241-K247 PolarHBondContact OE2-NZ 3.29Å; D244-K247 HydrophobicContact CB-CB 4.21Å; D244-K247 HydrophobicContact CB-CD 4.12Å; D244-K247 HydrophobicContact CB-CG 4.13Å; D244-K247 PolarHBondContact O-N 3.4Å; K247-R249 VanDerWaalsContact C-N 3.32Å; K247-R249 PolarHBondContact O-N 2.96Å; K247-E250 PolarHBondContact O-N 3.38Å; K247-S251 PolarHBondContact O-N 3.08Å; K247-S251 VanDerWaalsContact O-N 3.12Å
248E65.2Low66.9Low69 Ų6993.7 Ų93.732%0.32247%0.472SS..Hα-helixtrans-65.7-30.8176.1-92.7-87.5135.900113.2R81 F243 D244 E246 S251 G252R81-E248 IonicContact CZ-OE1 3.36Å; R81-E248 IonicContact CZ-OE2 2.82Å; R81-E248 IonicContact NH1-OE2 3.21Å; R81-E248 PolarHBondContact NH1-OE2 3.04Å; R81-E248 IonicContact NH2-OE1 2.95Å; R81-E248 PolarHBondContact NH2-OE1 3.14Å; R81-E248 IonicContact NH2-OE2 3.24Å; R81-E248 PolarHBondContact NH2-OE2 3.12Å; F243-E248 HydrophobicContact CE2-CG 3.94Å; F243-E248 HydrophobicContact CZ-CG 4.47Å; D244-E248 PolarHBondContact O-N 3.01Å; E246-E248 VanDerWaalsContact C-N 3.28Å; E246-E248 PolarHBondContact O-N 3.24Å; E248-S251 WeakPolarHBondContact CA-OG 3.4Å; E248-S251 PolarHBondContact O-OG 2.93Å; E248-S251 VanDerWaalsContact O-OG 3.05Å; E248-G252 PolarHBondContact O-N 3.07Å
249R59.5Low64.4Low156 Ų15693.2 Ų93.259%0.58947%0.468SS*.Hα-helixtrans-67.4-41175.7-72.8170.2-174.1-179.26.5111.2P245 E246 K247 G252 I253P245-R249 WeakPolarHBondContact O-CG 3.37Å; E246-R249 WeakPolarHBondContact O-CB 3.42Å; E246-R249 PolarHBondContact O-N 2.92Å; K247-R249 VanDerWaalsContact C-N 3.32Å; K247-R249 PolarHBondContact O-N 2.96Å; R249-G252 PolarHBondContact O-N 3.46Å; R249-I253 WeakPolarHBondContact O-CB 3.37Å; R249-I253 WeakPolarHBondContact O-CD1 3.45Å; R249-I253 WeakPolarHBondContact O-CG1 3.18Å; R249-I253 PolarHBondContact O-N 2.91Å
250E56Low61.9Low145 Ų14594.3 Ų94.368%0.67848%0.479SS*.Hα-helixtrans-67.8-39.4178.3-62.6-175.6163.900111.7E246 K247 S254E246-E250 PolarHBondContact O-N 3.11Å; K247-E250 PolarHBondContact O-N 3.38Å; E250-S254 WeakPolarHBondContact O-CB 3.35Å; E250-S254 PolarHBondContact O-N 2.67Å; E250-S254 VanDerWaalsContact O-N 3.09Å; E250-S254 PolarHBondContact O-OG 2.97Å
251S55.7Low59.5Low38 Ų3899 Ų9927%0.26650%0.502SS..Hα-helixtrans-70-34.4175.579.40000112.6K247 E248 S254 K255K247-S251 PolarHBondContact O-N 3.08Å; K247-S251 VanDerWaalsContact O-N 3.12Å; E248-S251 WeakPolarHBondContact CA-OG 3.4Å; E248-S251 PolarHBondContact O-OG 2.93Å; E248-S251 VanDerWaalsContact O-OG 3.05Å; S251-S254 WeakPolarHBondContact CA-OG 3.35Å; S251-S254 PolarHBondContact O-OG 2.95Å; S251-K255 WeakPolarHBondContact O-CG 3.09Å; S251-K255 PolarHBondContact O-N 3.28Å; S251-K255 VanDerWaalsContact O-N 3.12Å
252G51.5Low57.4Low30 Ų30102.7 Ų102.731%0.30951%0.509SS..Hα-helixtrans-69.7-41.9174.100000113.7E248 R249 K255 S256E248-G252 PolarHBondContact O-N 3.07Å; R249-G252 PolarHBondContact O-N 3.46Å; G252-K255 PolarHBondContact O-N 3.43Å; G252-S256 WeakPolarHBondContact O-CB 3.44Å; G252-S256 PolarHBondContact O-N 3.12Å; G252-S256 PolarHBondContact O-OG 3.09Å
253I49.2Very low55.2Low106 Ų106104.9 Ų104.954%0.54453%0.527SS..Hα-helixtrans-66.3-40.7176.6-68.5163.4000110.8R249 S256 N257R249-I253 WeakPolarHBondContact O-CB 3.37Å; R249-I253 WeakPolarHBondContact O-CD1 3.45Å; R249-I253 WeakPolarHBondContact O-CG1 3.18Å; R249-I253 PolarHBondContact O-N 2.91Å; I253-S256 PolarHBondContact O-N 2.91Å; I253-N257 PolarHBondContact O-N 3.33Å
254S44.8Very low53.1Low63 Ų63113.3 Ų113.344%0.44156%0.557SS.*Hα-helixtrans-67.7-36.617755.60000113.2E250 S251 K258E250-S254 WeakPolarHBondContact O-CB 3.35Å; E250-S254 PolarHBondContact O-N 2.67Å; E250-S254 VanDerWaalsContact O-N 3.09Å; E250-S254 PolarHBondContact O-OG 2.97Å; S251-S254 WeakPolarHBondContact CA-OG 3.35Å; S251-S254 PolarHBondContact O-OG 2.95Å; S254-K258 PolarHBondContact O-N 3.24Å
255K44.5Very low51Low148 Ų148118.6 Ų118.664%0.64358%0.58SS**Hα-helixtrans-68.1-35.3171-74.3176.5-176.9173.50112.7S251 G252 K258 K259S251-K255 WeakPolarHBondContact O-CG 3.09Å; S251-K255 PolarHBondContact O-N 3.28Å; S251-K255 VanDerWaalsContact O-N 3.12Å; G252-K255 PolarHBondContact O-N 3.43Å; K255-K258 PolarHBondContact O-N 3.24Å; K255-K259 PolarHBondContact O-N 3.5Å
256S42.7Very low49.2Very low73 Ų73128 Ų12851%0.5162%0.617SS.*Hα-helixtrans-68.9-40.8177.5-55.90000112.3G252 I253 K258 K259 S260G252-S256 WeakPolarHBondContact O-CB 3.44Å; G252-S256 PolarHBondContact O-N 3.12Å; G252-S256 PolarHBondContact O-OG 3.09Å; I253-S256 PolarHBondContact O-N 2.91Å; S256-K258 PolarHBondContact O-N 2.86Å; S256-K259 PolarHBondContact O-N 3.44Å; S256-S260 PolarHBondContact O-N 3.23Å; S256-S260 VanDerWaalsContact O-N 3.12Å
257N41.1Very low48Very low96 Ų96127.7 Ų127.751%0.51362%0.617SS.*Hα-helixtrans-66.6-33.4174.4-82.7-16000112.7I253 S260 L261I253-N257 PolarHBondContact O-N 3.33Å; N257-S260 PolarHBondContact O-N 3.49Å; N257-S260 PolarHBondContact O-OG 3.16Å; N257-L261 WeakPolarHBondContact O-CD1 3.46Å; N257-L261 PolarHBondContact O-N 3.12Å
258K43.4Very low46.8Very low160 Ų160128.6 Ų128.670%0.69662%0.624SS**Hα-helixtrans-68.4-30.9172.9-78.3-178.4177.6177.40113.2S254 K255 S256S254-K258 PolarHBondContact O-N 3.24Å; K255-K258 PolarHBondContact O-N 3.24Å; S256-K258 PolarHBondContact O-N 2.86Å
259K39.8Very low45.8Very low163 Ų163131.9 Ų131.971%0.70964%0.641SS**Hα-helixtrans-74.5-35174.3-85.9-176.4174.71800112.8K255 S256 L261 R262 S263K255-K259 PolarHBondContact O-N 3.5Å; S256-K259 PolarHBondContact O-N 3.44Å; K259-L261 VanDerWaalsContact C-N 3.35Å; K259-R262 PolarHBondContact O-N 3.47Å; K259-S263 PolarHBondContact O-OG 3.42Å
260S41.9Very low45Very low68 Ų68130.5 Ų130.548%0.47664%0.644SS.*Hα-helixtrans-69.3-32.7178.1800000112.6S256 N257 S263S256-S260 PolarHBondContact O-N 3.23Å; S256-S260 VanDerWaalsContact O-N 3.12Å; N257-S260 PolarHBondContact O-N 3.49Å; N257-S260 PolarHBondContact O-OG 3.16Å; S260-S263 PolarHBondContact O-N 3.31Å
261L42.3Very low44.3Very low137 Ų137129.6 Ų129.672%0.71764%0.642SS**Hα-helixtrans-71-30.1175.4-80.4155000114.1N257 K259 S263N257-L261 WeakPolarHBondContact O-CD1 3.46Å; N257-L261 PolarHBondContact O-N 3.12Å; K259-L261 VanDerWaalsContact C-N 3.35Å; L261-S263 VanDerWaalsContact C-N 3.34Å
262R45.1Very low43.6Very low224 Ų224135.7 Ų135.785%0.84567%0.667SS**Hα-helixtrans-79.8-12177-82.6-174.7172.1-177.3-2.3114.4K259K259-R262 PolarHBondContact O-N 3.47Å
263S43.2Very low43Very low99 Ų99143.3 Ų143.369%0.69269%0.692SS**THydrogen-bonded Turntrans-94.37.7-174.5-49.80000113.8K259 S260 L261K259-S263 PolarHBondContact O-OG 3.42Å; S260-S263 PolarHBondContact O-N 3.31Å; L261-S263 VanDerWaalsContact C-N 3.34Å
264R44.2Very low42.5Very low232 Ų232146.2 Ų146.288%0.87570%0.704SS**THydrogen-bonded Turntrans-112.611.1-178.7-84.1-171.8172.2-173.6-1.6114.8
265Q41.6Very low42.3Very low169 Ų169153.1 Ų153.179%0.7973%0.726SS**  trans-118.786.5167.9-74.8-177.2-4.600108.4
266H38.3Very low42.1Very low268 Ų268153.5 Ų153.5100%1.24173%0.733SS**  trans-170.70143.6-93.2-57.5000108.5

Retrieved 266 of 266 residues in 91.4 ms (Link to these results)

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