A0A078BS59_CAEEL Loading...

CCR4-NOT transcription complex subunit 11

AlphaFold DB , UniProt , Accession A0A078BS59, Species CAEEL (Caenorhabditis elegans), Gene ntl-11, Length 222 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M65.9Low77.9Confident215 Ų21584.8 Ų84.8100%1.05942%0.417SS*.  0-58.90-145.8177.3179.700112.1Q4 F5M1-Q4 PolarHBondContact O-N 3.31Å; M1-F5 PolarHBondContact O-N 3.39Å
2M73.8Confident78Confident97 Ų9787.3 Ų87.348%0.47844%0.441SS..Hα-helixtrans-60.8-44.7-179.7-86.4-86-85.900115.9Q4 F5 V6 F32 F39M2-Q4 VanDerWaalsContact C-N 3.27Å; M2-Q4 PolarHBondContact O-N 2.82Å; M2-F5 WeakPolarHBondContact O-CB 3.5Å; M2-F5 PolarHBondContact O-N 3.47Å; M2-V6 PolarHBondContact O-N 3.44Å; M2-F32 HydrophobicContact CE-CE1 4.15Å; M2-F32 HydrophobicContact CE-CZ 4.21Å; M2-F39 HydrophobicContact CB-CD2 4.15Å; M2-F39 HydrophobicContact CB-CE2 4.03Å; M2-F39 HydrophobicContact CE-CD2 4.43Å; M2-F39 HydrophobicContact CE-CE2 3.6Å; M2-F39 HydrophobicContact CE-CZ 3.79Å; M2-F39 HydrophobicContact SD-CE2 4.14Å
3I78.6Confident78.3Confident54 Ų5486 Ų8628%0.27743%0.432SS..Hα-helixtrans-63.4-37.2177.5-59.5177.1000110.9V6 R7 K38 F39 A42I3-V6 PolarHBondContact O-N 3.06Å; I3-R7 VanDerWaalsContact O-CG 3.3Å; I3-R7 WeakPolarHBondContact O-CG 3.34Å; I3-R7 PolarHBondContact O-N 3.43Å; I3-K38 HydrophobicContact CD1-CB 3.91Å; I3-F39 HydrophobicContact CG1-CB 4.08Å; I3-F39 HydrophobicContact CG1-CD2 4.24Å; I3-A42 HydrophobicContact CG2-CB 4.08Å
4Q81.4Confident78.7Confident109 Ų10985.6 Ų85.651%0.50944%0.439SS..Hα-helixtrans-67.3-44.5178.2-167.965.410.800110.6M1 M2 V6 R7 T8M1-Q4 PolarHBondContact O-N 3.31Å; M2-Q4 VanDerWaalsContact C-N 3.27Å; M2-Q4 PolarHBondContact O-N 2.82Å; Q4-V6 VanDerWaalsContact C-N 3.33Å; Q4-V6 PolarHBondContact O-N 2.9Å; Q4-R7 PolarHBondContact O-N 3.07Å; Q4-T8 HydrophobicContact CG-CG2 4.38Å; Q4-T8 PolarHBondContact O-N 2.84Å; Q4-T8 PolarHBondContact O-OG1 3.45Å
5F82.5Confident78.8Confident49 Ų4987.5 Ų87.522%0.21545%0.445CS..Hα-helixtrans-53.7-50.4172172.6-94000111.3M1 M2 R7 T8 A9 H13 Q15 R46M1-F5 PolarHBondContact O-N 3.39Å; M2-F5 WeakPolarHBondContact O-CB 3.5Å; M2-F5 PolarHBondContact O-N 3.47Å; F5-R7 PolarHBondContact O-N 3.13Å; F5-T8 PolarHBondContact O-N 3.21Å; F5-A9 HydrophobicContact CD1-CB 4.45Å; F5-A9 HydrophobicContact CD2-CB 3.61Å; F5-A9 HydrophobicContact CE1-CB 4.25Å; F5-A9 HydrophobicContact CE2-CB 3.37Å; F5-A9 HydrophobicContact CG-CB 4.14Å; F5-A9 HydrophobicContact CZ-CB 3.69Å; F5-A9 WeakPolarHBondContact O-CB 3.45Å; F5-A9 PolarHBondContact O-N 2.78Å; F5-H13 AromaticContact CE2-CE1 3.88Å; F5-H13 AromaticContact CE2-ND1 3.91Å; F5-H13 AromaticContact CZ-ND1 3.68Å; F5-Q15 HydrophobicContact CE1-CB 4.41Å; F5-Q15 HydrophobicContact CZ-CB 3.8Å; F5-R46 PolarHBondContact O-NH1 3.46Å
6V81.2Confident78.9Confident0 Ų082.1 Ų82.10%042%0.417CS..Hα-helixtrans-61.8-27177.4168.60000112.6M2 I3 Q4 Y16 L19 F39 A42 F43 R46M2-V6 PolarHBondContact O-N 3.44Å; I3-V6 PolarHBondContact O-N 3.06Å; Q4-V6 VanDerWaalsContact C-N 3.33Å; Q4-V6 PolarHBondContact O-N 2.9Å; V6-Y16 HydrophobicContact CG1-CE2 4.49Å; V6-L19 HydrophobicContact CG2-CD2 3.92Å; V6-F39 HydrophobicContact CB-CE2 4.36Å; V6-F39 HydrophobicContact CG2-CD2 4.04Å; V6-F39 HydrophobicContact CG2-CE2 3.29Å; V6-F39 HydrophobicContact CG2-CZ 3.65Å; V6-A42 HydrophobicContact CG1-CB 4.32Å; V6-F43 HydrophobicContact CG1-CB 3.84Å; V6-F43 HydrophobicContact CG1-CD2 4.19Å; V6-R46 VanDerWaalsContact C-NH1 3.28Å; V6-R46 WeakPolarHBondContact O-CD 3.25Å; V6-R46 PolarHBondContact O-NE 3.2Å; V6-R46 PolarHBondContact O-NH1 3.2Å
7R79.7Confident78.9Confident142 Ų14281.4 Ų81.454%0.53642%0.415SS..Hα-helixtrans-84.8-30177.8-74.2174178.2-178.9-1.6114.1I3 Q4 F5 A42 R46I3-R7 VanDerWaalsContact O-CG 3.3Å; I3-R7 WeakPolarHBondContact O-CG 3.34Å; I3-R7 PolarHBondContact O-N 3.43Å; Q4-R7 PolarHBondContact O-N 3.07Å; F5-R7 PolarHBondContact O-N 3.13Å; R7-A42 HydrophobicContact CG-CB 4.33Å; R7-R46 PolarHBondContact O-NE 3.49Å; R7-R46 PolarHBondContact O-NH1 2.85Å; R7-R46 PolarHBondContact O-NH2 3.22Å
8T81.4Confident79Confident87 Ų8786.6 Ų86.653%0.53443%0.428SS..Hα-helixtrans-117.2-25.9-168.263.60000114.9Q4 F5 R46Q4-T8 HydrophobicContact CG-CG2 4.38Å; Q4-T8 PolarHBondContact O-N 2.84Å; Q4-T8 PolarHBondContact O-OG1 3.45Å; F5-T8 PolarHBondContact O-N 3.21Å; T8-R46 VanDerWaalsContact C-NH2 3.28Å; T8-R46 PolarHBondContact O-NH2 3.38Å
9A79.3Confident79Confident13 Ų1383.1 Ų83.111%0.10741%0.411CS..SBendtrans-64.6141.1-177.600000112.2F5 I11 R46F5-A9 HydrophobicContact CD1-CB 4.45Å; F5-A9 HydrophobicContact CD2-CB 3.61Å; F5-A9 HydrophobicContact CE1-CB 4.25Å; F5-A9 HydrophobicContact CE2-CB 3.37Å; F5-A9 HydrophobicContact CG-CB 4.14Å; F5-A9 HydrophobicContact CZ-CB 3.69Å; F5-A9 WeakPolarHBondContact O-CB 3.45Å; F5-A9 PolarHBondContact O-N 2.78Å; A9-I11 PolarHBondContact O-N 3.04Å; A9-R46 VanDerWaalsContact N-NH1 3.13Å; A9-R46 PolarHBondContact O-NH1 3.28Å; A9-R46 PolarHBondContact O-NH2 3.25Å
10L78.2Confident79.1Confident128 Ų12880.8 Ų80.867%0.6740%0.4SS*.  trans-53.7144.8176.3-68.6166.2000111.1T12 H13L10-T12 VanDerWaalsContact C-N 3.29Å; L10-T12 PolarHBondContact O-N 3.12Å; L10-H13 HydrophobicContact CB-CB 4.45Å; L10-H13 WeakPolarHBondContact O-CB 3.35Å; L10-H13 PolarHBondContact O-N 2.97Å
11I74.9Confident79.1Confident39 Ų3983.2 Ų83.220%0.241%0.411CS..THydrogen-bonded Turntrans-69.7-33.9-176-68.8177.7000111.2A9 H13 Y16 R46 S50A9-I11 PolarHBondContact O-N 3.04Å; I11-H13 PolarHBondContact O-N 3.04Å; I11-H13 VanDerWaalsContact O-N 3.12Å; I11-Y16 HydrophobicContact CG1-CE1 4.44Å; I11-Y16 HydrophobicContact CG2-CD1 4.27Å; I11-Y16 HydrophobicContact CG2-CE1 4.08Å; I11-Y16 WeakPolarHBondContact O-CD1 3.23Å; I11-R46 HydrophobicContact CD1-CG 4.33Å; I11-S50 WeakPolarHBondContact CD1-OG 3.47Å
12T79.1Confident79.7Confident115 Ų11574.1 Ų74.171%0.70637%0.37SS*.THydrogen-bonded Turntrans-71.34.6169.955.50000113.6L10L10-T12 VanDerWaalsContact C-N 3.29Å; L10-T12 PolarHBondContact O-N 3.12Å
13H81.4Confident79.8Confident70 Ų7069.8 Ų69.832%0.32435%0.349SS..  trans-69.2129.7179-173-84.2000109.6F5 L10 I11 Q15 Y16 D17F5-H13 AromaticContact CE2-CE1 3.88Å; F5-H13 AromaticContact CE2-ND1 3.91Å; F5-H13 AromaticContact CZ-ND1 3.68Å; L10-H13 HydrophobicContact CB-CB 4.45Å; L10-H13 WeakPolarHBondContact O-CB 3.35Å; L10-H13 PolarHBondContact O-N 2.97Å; I11-H13 PolarHBondContact O-N 3.04Å; I11-H13 VanDerWaalsContact O-N 3.12Å; H13-Q15 PolarHBondContact ND1-N 2.95Å; H13-Q15 PolarHBondContact O-N 3.27Å; H13-Y16 WeakPolarHBondContact O-CA 3.49Å; H13-Y16 VanDerWaalsContact O-CB 3.23Å; H13-Y16 WeakPolarHBondContact O-CB 3.38Å; H13-Y16 PolarHBondContact O-N 3.35Å; H13-D17 PolarHBondContact O-N 3.34Å
14P83.8Confident79.6Confident81 Ų8170.1 Ų70.153%0.52635%0.353SS..Hα-helixtrans-56.9-32.3-173.3-28.233.9000115Y16 R18P14-Y16 VanDerWaalsContact C-N 3.31Å; P14-R18 WeakPolarHBondContact O-CG 3.11Å; P14-R18 PolarHBondContact O-N 2.81Å
15Q81.1Confident79.5Confident114 Ų11472 Ų7253%0.53337%0.366SS..Hα-helixtrans-71.9-25.9175.4-65.2-172-17.100113.3F5 H13 L19F5-Q15 HydrophobicContact CE1-CB 4.41Å; F5-Q15 HydrophobicContact CZ-CB 3.8Å; H13-Q15 PolarHBondContact ND1-N 2.95Å; H13-Q15 PolarHBondContact O-N 3.27Å; Q15-L19 WeakPolarHBondContact O-CB 3.18Å; Q15-L19 PolarHBondContact O-N 3.23Å; Q15-L19 VanDerWaalsContact O-N 3.07Å
16Y80.1Confident79.4Confident1 Ų172.6 Ų72.60%0.00437%0.372CS..Hα-helixtrans-74.1-44.4175.5-165.7-88.2000110.4V6 I11 H13 P14 R18 L19 L20 F43 N47V6-Y16 HydrophobicContact CG1-CE2 4.49Å; I11-Y16 HydrophobicContact CG1-CE1 4.44Å; I11-Y16 HydrophobicContact CG2-CD1 4.27Å; I11-Y16 HydrophobicContact CG2-CE1 4.08Å; I11-Y16 WeakPolarHBondContact O-CD1 3.23Å; H13-Y16 WeakPolarHBondContact O-CA 3.49Å; H13-Y16 VanDerWaalsContact O-CB 3.23Å; H13-Y16 WeakPolarHBondContact O-CB 3.38Å; H13-Y16 PolarHBondContact O-N 3.35Å; P14-Y16 VanDerWaalsContact C-N 3.31Å; Y16-R18 VanDerWaalsContact C-N 3.35Å; Y16-R18 PolarHBondContact O-N 2.86Å; Y16-L19 WeakPolarHBondContact O-CB 3.45Å; Y16-L19 PolarHBondContact O-N 3.39Å; Y16-L19 VanDerWaalsContact O-N 3.13Å; Y16-L20 PolarHBondContact O-N 2.91Å; Y16-F43 HydrophobicContact CE2-CD2 4.35Å; Y16-F43 HydrophobicContact CE2-CE2 4.39Å; Y16-N47 WeakPolarHBondContact CE1-OD1 3.39Å; Y16-N47 PolarHBondContact OH-ND2 2.99Å; Y16-N47 PolarHBondContact OH-OD1 3.07Å
17D78.8Confident79.4Confident69 Ų6978.8 Ų78.837%0.36940%0.4SS..Hα-helixtrans-59.5-43.8172.5-76.3-18.4000112.3H13 L19 L20 Q21H13-D17 PolarHBondContact O-N 3.34Å; D17-L19 VanDerWaalsContact C-N 3.31Å; D17-L19 PolarHBondContact O-N 3.07Å; D17-L20 WeakPolarHBondContact O-CB 2.92Å; D17-L20 PolarHBondContact O-N 2.98Å; D17-Q21 WeakPolarHBondContact O-CG 3.37Å; D17-Q21 PolarHBondContact O-N 3.38Å
18R81.6Confident79.3Confident176 Ų17678 Ų7866%0.66441%0.407SS*.Hα-helixtrans-60.9-41.2174.4-76.2-178.1-164.8170.74.5112.1P14 Y16 L20 Q21 A22P14-R18 WeakPolarHBondContact O-CG 3.11Å; P14-R18 PolarHBondContact O-N 2.81Å; Y16-R18 VanDerWaalsContact C-N 3.35Å; Y16-R18 PolarHBondContact O-N 2.86Å; R18-L20 VanDerWaalsContact C-N 3.33Å; R18-Q21 PolarHBondContact O-N 3.09Å; R18-A22 WeakPolarHBondContact O-CB 3.4Å; R18-A22 PolarHBondContact O-N 2.89Å
19L79.1Confident79Confident19 Ų1976 Ų7610%0.09939%0.392CS..Hα-helixtrans-63.8-40.4176.117766.7000111.2V6 Q15 Y16 D17 A22 S23 I29 F39 F43V6-L19 HydrophobicContact CG2-CD2 3.92Å; Q15-L19 WeakPolarHBondContact O-CB 3.18Å; Q15-L19 PolarHBondContact O-N 3.23Å; Q15-L19 VanDerWaalsContact O-N 3.07Å; Y16-L19 WeakPolarHBondContact O-CB 3.45Å; Y16-L19 PolarHBondContact O-N 3.39Å; Y16-L19 VanDerWaalsContact O-N 3.13Å; D17-L19 VanDerWaalsContact C-N 3.31Å; D17-L19 PolarHBondContact O-N 3.07Å; L19-A22 PolarHBondContact O-N 3.2Å; L19-S23 WeakPolarHBondContact O-CB 3.21Å; L19-S23 PolarHBondContact O-N 3.19Å; L19-I29 HydrophobicContact CD1-CG2 4.32Å; L19-F39 HydrophobicContact CD1-CE1 4.22Å; L19-F39 HydrophobicContact CD1-CZ 3.96Å; L19-F39 HydrophobicContact CD2-CE1 4.21Å; L19-F39 HydrophobicContact CD2-CZ 3.56Å; L19-F39 HydrophobicContact CG-CZ 4.38Å; L19-F43 HydrophobicContact CD2-CD2 3.62Å; L19-F43 HydrophobicContact CD2-CE2 3.54Å; L19-F43 HydrophobicContact CG-CD2 4.25Å; L19-F43 HydrophobicContact CG-CE2 3.75Å; L19-F43 HydrophobicContact CG-CZ 4.28Å
20L79.6Confident78.8Confident37 Ų3776.1 Ų76.119%0.19439%0.391CS..Hα-helixtrans-63.1-47.6176.3-172.765.9000111.6Y16 D17 R18 S23 V24 F43 L57Y16-L20 PolarHBondContact O-N 2.91Å; D17-L20 WeakPolarHBondContact O-CB 2.92Å; D17-L20 PolarHBondContact O-N 2.98Å; R18-L20 VanDerWaalsContact C-N 3.33Å; L20-S23 PolarHBondContact O-N 3.27Å; L20-S23 PolarHBondContact O-OG 2.8Å; L20-V24 WeakPolarHBondContact O-CG2 3.3Å; L20-F43 HydrophobicContact CB-CZ 4.31Å; L20-F43 HydrophobicContact CD1-CE1 4.3Å; L20-F43 HydrophobicContact CD1-CZ 3.72Å; L20-L57 HydrophobicContact CD1-CD1 3.89Å; L20-L57 HydrophobicContact CD1-CD2 4.14Å
21Q79.8Confident78.8Confident133 Ų13373 Ų7362%0.62138%0.38SS*.Hα-helixtrans-63.7-43.5175.3-71.1-177.11.300112.2D17 R18 S23 V24 L25D17-Q21 WeakPolarHBondContact O-CG 3.37Å; D17-Q21 PolarHBondContact O-N 3.38Å; R18-Q21 PolarHBondContact O-N 3.09Å; Q21-S23 VanDerWaalsContact C-N 3.28Å; Q21-S23 PolarHBondContact O-N 2.66Å; Q21-V24 WeakPolarHBondContact O-CB 3.15Å; Q21-V24 WeakPolarHBondContact O-CG2 3.42Å; Q21-V24 PolarHBondContact O-N 2.82Å; Q21-L25 PolarHBondContact O-N 2.68Å
22A77.8Confident78.9Confident24 Ų2474.3 Ų74.320%0.19838%0.384CS..Hα-helixtrans-67-30.9-179.800000112.1R18 L19 V24 L25 D26 I29R18-A22 WeakPolarHBondContact O-CB 3.4Å; R18-A22 PolarHBondContact O-N 2.89Å; L19-A22 PolarHBondContact O-N 3.2Å; A22-V24 PolarHBondContact O-N 3.45Å; A22-L25 PolarHBondContact O-N 2.69Å; A22-D26 HydrophobicContact CB-CB 4.16Å; A22-D26 WeakPolarHBondContact O-CB 3.24Å; A22-D26 PolarHBondContact O-N 3.44Å; A22-I29 HydrophobicContact CB-CB 4.26Å; A22-I29 HydrophobicContact CB-CG1 3.86Å; A22-I29 HydrophobicContact CB-CG2 4.25Å
23S76.1Confident78.7Confident5 Ų569.1 Ų69.14%0.03535%0.352CS..Hα-helixtrans-63.1-11.2171.281.10000114.2L19 L20 Q21L19-S23 WeakPolarHBondContact O-CB 3.21Å; L19-S23 PolarHBondContact O-N 3.19Å; L20-S23 PolarHBondContact O-N 3.27Å; L20-S23 PolarHBondContact O-OG 2.8Å; Q21-S23 VanDerWaalsContact C-N 3.28Å; Q21-S23 PolarHBondContact O-N 2.66Å
24V75.4Confident78.2Confident62 Ų6270.5 Ų70.538%0.37635%0.354SS..Hα-helixtrans-94.4-46.9176.6-1710000111.3L20 Q21 A22L20-V24 WeakPolarHBondContact O-CG2 3.3Å; Q21-V24 WeakPolarHBondContact O-CB 3.15Å; Q21-V24 WeakPolarHBondContact O-CG2 3.42Å; Q21-V24 PolarHBondContact O-N 2.82Å; A22-V24 PolarHBondContact O-N 3.45Å
25L78.8Confident77.8Confident149 Ų14971.4 Ų71.478%0.7836%0.358SS*.Hα-helixtrans-111.1-22.6-161.9-63.6173.4000113.7Q21 A22Q21-L25 PolarHBondContact O-N 2.68Å; A22-L25 PolarHBondContact O-N 2.69Å
26D81.1Confident77.5Confident61 Ų6169 Ų6933%0.32635%0.349SS..  trans-101.5109.9-170.6-171.8-29.3000111A22 N28 I29 I30A22-D26 HydrophobicContact CB-CB 4.16Å; A22-D26 WeakPolarHBondContact O-CB 3.24Å; A22-D26 PolarHBondContact O-N 3.44Å; D26-N28 PolarHBondContact O-N 3.49Å; D26-N28 WeakPolarHBondContact OD1-CA 3.43Å; D26-N28 VanDerWaalsContact OD1-CB 3.25Å; D26-N28 WeakPolarHBondContact OD1-CB 3.24Å; D26-N28 PolarHBondContact OD1-N 3.46Å; D26-N28 PolarHBondContact OD1-ND2 3.46Å; D26-I29 HydrophobicContact CB-CB 4.08Å; D26-I29 HydrophobicContact CB-CG1 4.01Å; D26-I29 PolarHBondContact O-N 3.35Å; D26-I29 VanDerWaalsContact O-N 3.09Å; D26-I29 PolarHBondContact OD1-N 2.62Å; D26-I30 VanDerWaalsContact O-CG1 3.3Å; D26-I30 WeakPolarHBondContact O-CG1 3.14Å; D26-I30 PolarHBondContact O-N 3Å
27E79.7Confident76.8Confident129 Ų12970.6 Ų70.660%0.60336%0.359SS*.Hα-helixtrans-58-30.5178.1-74.8-62.4155.100113.3S31E27-S31 WeakPolarHBondContact O-CB 3.43Å; E27-S31 PolarHBondContact O-N 3.38Å
28N78.7Confident76.6Confident127 Ų12775 Ų7568%0.67938%0.375SS*.Hα-helixtrans-71.9-39.2177.2-58-62.2000111D26 F32D26-N28 PolarHBondContact O-N 3.49Å; D26-N28 WeakPolarHBondContact OD1-CA 3.43Å; D26-N28 VanDerWaalsContact OD1-CB 3.25Å; D26-N28 WeakPolarHBondContact OD1-CB 3.24Å; D26-N28 PolarHBondContact OD1-N 3.46Å; D26-N28 PolarHBondContact OD1-ND2 3.46Å; N28-F32 VanDerWaalsContact O-CB 3.24Å; N28-F32 WeakPolarHBondContact O-CB 3.15Å; N28-F32 PolarHBondContact O-N 2.94Å
29I75.4Confident76.5Confident44 Ų4466.8 Ų66.823%0.22634%0.344CS..Hα-helixtrans-71-39.6175.4-63.5-61.2000110.5L19 A22 D26 F32 I33L19-I29 HydrophobicContact CD1-CG2 4.32Å; A22-I29 HydrophobicContact CB-CB 4.26Å; A22-I29 HydrophobicContact CB-CG1 3.86Å; A22-I29 HydrophobicContact CB-CG2 4.25Å; D26-I29 HydrophobicContact CB-CB 4.08Å; D26-I29 HydrophobicContact CB-CG1 4.01Å; D26-I29 PolarHBondContact O-N 3.35Å; D26-I29 VanDerWaalsContact O-N 3.09Å; D26-I29 PolarHBondContact OD1-N 2.62Å; I29-F32 PolarHBondContact O-N 2.91Å; I29-I33 HydrophobicContact CG2-CD1 3.89Å; I29-I33 HydrophobicContact CG2-CG1 4.38Å; I29-I33 WeakPolarHBondContact O-CB 3.15Å; I29-I33 VanDerWaalsContact O-CG1 3.24Å; I29-I33 WeakPolarHBondContact O-CG1 3.4Å; I29-I33 PolarHBondContact O-N 3.32Å
30I74.9Confident76.2Confident16 Ų1665.9 Ų65.98%0.08234%0.339CS..Hα-helixtrans-59.2-48.7172.9-69.8165.9000110.2D26 F32 I33 R34 L64D26-I30 VanDerWaalsContact O-CG1 3.3Å; D26-I30 WeakPolarHBondContact O-CG1 3.14Å; D26-I30 PolarHBondContact O-N 3Å; I30-F32 PolarHBondContact O-N 3Å; I30-I33 PolarHBondContact O-N 3.2Å; I30-R34 WeakPolarHBondContact O-CG 3.45Å; I30-R34 PolarHBondContact O-N 3.41Å; I30-L64 HydrophobicContact CG2-CD2 3.62Å
31S78Confident75.9Confident61 Ų6164.6 Ų64.643%0.42734%0.335SS..Hα-helixtrans-59.7-45.2174.9-1750000111.5E27 I33 R34 T35E27-S31 WeakPolarHBondContact O-CB 3.43Å; E27-S31 PolarHBondContact O-N 3.38Å; S31-I33 PolarHBondContact O-N 2.96Å; S31-R34 WeakPolarHBondContact O-CB 3.3Å; S31-R34 PolarHBondContact O-N 3.3Å; S31-R34 VanDerWaalsContact O-N 3.14Å; S31-T35 WeakPolarHBondContact O-CG2 3.48Å; S31-T35 PolarHBondContact O-N 3.25Å; S31-T35 PolarHBondContact O-OG1 3.5Å
32F77.2Confident75.8Confident67 Ų6758.8 Ų58.829%0.29431%0.309SS..Hα-helixtrans-59.7-44176.2176.1-93.1000112.1M2 N28 I29 I30 R34 T35 N36 F39M2-F32 HydrophobicContact CE-CE1 4.15Å; M2-F32 HydrophobicContact CE-CZ 4.21Å; N28-F32 VanDerWaalsContact O-CB 3.24Å; N28-F32 WeakPolarHBondContact O-CB 3.15Å; N28-F32 PolarHBondContact O-N 2.94Å; I29-F32 PolarHBondContact O-N 2.91Å; I30-F32 PolarHBondContact O-N 3Å; F32-R34 VanDerWaalsContact C-N 3.33Å; F32-T35 PolarHBondContact O-N 2.94Å; F32-T35 PolarHBondContact O-OG1 2.91Å; F32-N36 HydrophobicContact CD1-CB 4.34Å; F32-N36 HydrophobicContact CD2-CB 4.5Å; F32-N36 WeakPolarHBondContact CD2-ND2 3.15Å; F32-N36 HydrophobicContact CE1-CB 3.98Å; F32-N36 HydrophobicContact CE2-CB 4.15Å; F32-N36 VanDerWaalsContact CE2-CG 3.48Å; F32-N36 WeakPolarHBondContact CE2-ND2 3.42Å; F32-N36 HydrophobicContact CZ-CB 3.87Å; F32-N36 WeakPolarHBondContact O-CA 3.1Å; F32-N36 WeakPolarHBondContact O-CB 2.77Å; F32-N36 PolarHBondContact O-N 3.38Å; F32-N36 PolarHBondContact O-ND2 2.86Å; F32-F39 HydrophobicContact CD1-CD1 4.38Å; F32-F39 HydrophobicContact CD1-CE1 4.41Å; F32-F39 AromaticContact CE1-CD1 3.76Å; F32-F39 HydrophobicContact CE1-CD1 3.76Å; F32-F39 HydrophobicContact CE1-CD2 4.41Å; F32-F39 AromaticContact CE1-CE1 3.92Å; F32-F39 HydrophobicContact CE1-CE1 3.92Å; F32-F39 HydrophobicContact CE1-CG 4Å; F32-F39 HydrophobicContact CE1-CZ 4.28Å
33I74Confident75.8Confident6 Ų657.9 Ų57.93%0.03130%0.301CS..Hα-helixtrans-63.4-41176.5-71.6170.5000110.1I29 I30 S31 T35 F39 A40 Y61 L64I29-I33 HydrophobicContact CG2-CD1 3.89Å; I29-I33 HydrophobicContact CG2-CG1 4.38Å; I29-I33 WeakPolarHBondContact O-CB 3.15Å; I29-I33 VanDerWaalsContact O-CG1 3.24Å; I29-I33 WeakPolarHBondContact O-CG1 3.4Å; I29-I33 PolarHBondContact O-N 3.32Å; I30-I33 PolarHBondContact O-N 3.2Å; S31-I33 PolarHBondContact O-N 2.96Å; I33-T35 VanDerWaalsContact C-N 3.34Å; I33-T35 PolarHBondContact O-N 3.3Å; I33-F39 HydrophobicContact CG1-CE1 4.46Å; I33-A40 HydrophobicContact CG2-CB 3.57Å; I33-Y61 HydrophobicContact CG2-CD2 4.41Å; I33-Y61 HydrophobicContact CG2-CE2 4.37Å; I33-L64 HydrophobicContact CG2-CD1 3.95Å
34R71.8Confident75.7Confident100 Ų10057.9 Ų57.938%0.37730%0.3SS..Hα-helixtrans-62.2-38.1175.4-73.9176177.4164.94.9112.4I30 S31 F32 V37 L64 V68I30-R34 WeakPolarHBondContact O-CG 3.45Å; I30-R34 PolarHBondContact O-N 3.41Å; S31-R34 WeakPolarHBondContact O-CB 3.3Å; S31-R34 PolarHBondContact O-N 3.3Å; S31-R34 VanDerWaalsContact O-N 3.14Å; F32-R34 VanDerWaalsContact C-N 3.33Å; R34-V37 WeakPolarHBondContact O-CG1 3.34Å; R34-L64 HydrophobicContact CG-CB 4.43Å; R34-L64 HydrophobicContact CG-CD2 4.36Å; R34-V68 HydrophobicContact CB-CG2 4.25Å; R34-V68 HydrophobicContact CG-CG2 4.26Å
35T74Confident75.7Confident99 Ų9955.8 Ų55.861%0.60729%0.288SS*.Hα-helixtrans-89.7-22.7-17961.50000113.5S31 F32 I33S31-T35 WeakPolarHBondContact O-CG2 3.48Å; S31-T35 PolarHBondContact O-N 3.25Å; S31-T35 PolarHBondContact O-OG1 3.5Å; F32-T35 PolarHBondContact O-N 2.94Å; F32-T35 PolarHBondContact O-OG1 2.91Å; I33-T35 VanDerWaalsContact C-N 3.34Å; I33-T35 PolarHBondContact O-N 3.3Å
36N75.1Confident75.5Confident64 Ų6450.9 Ų50.934%0.34226%0.259SS..  trans-111.566.9-177-66.3-89.1000111.2F32 K38 F39 A40F32-N36 HydrophobicContact CD1-CB 4.34Å; F32-N36 HydrophobicContact CD2-CB 4.5Å; F32-N36 WeakPolarHBondContact CD2-ND2 3.15Å; F32-N36 HydrophobicContact CE1-CB 3.98Å; F32-N36 HydrophobicContact CE2-CB 4.15Å; F32-N36 VanDerWaalsContact CE2-CG 3.48Å; F32-N36 WeakPolarHBondContact CE2-ND2 3.42Å; F32-N36 HydrophobicContact CZ-CB 3.87Å; F32-N36 WeakPolarHBondContact O-CA 3.1Å; F32-N36 WeakPolarHBondContact O-CB 2.77Å; F32-N36 PolarHBondContact O-N 3.38Å; F32-N36 PolarHBondContact O-ND2 2.86Å; N36-K38 VanDerWaalsContact C-N 3.34Å; N36-K38 PolarHBondContact O-N 3.14Å; N36-F39 HydrophobicContact CB-CB 4.21Å; N36-F39 VanDerWaalsContact O-CB 3.31Å; N36-F39 WeakPolarHBondContact O-CB 3.39Å; N36-F39 PolarHBondContact O-N 3.47Å; N36-A40 PolarHBondContact O-N 3.3Å
37V66.4Low75.1Confident34 Ų3448.3 Ų48.321%0.20625%0.245CC..Hα-helixtrans-63.1-30.3-169.6-66.50000115.6R34 A40 G41 H73R34-V37 WeakPolarHBondContact O-CG1 3.34Å; V37-A40 PolarHBondContact O-N 2.92Å; V37-G41 PolarHBondContact O-N 3Å; V37-H73 WeakPolarHBondContact CB-CD2 3.44Å; V37-H73 WeakPolarHBondContact CB-NE2 3.41Å; V37-H73 HydrophobicContact CG2-CB 4.5Å; V37-H73 WeakPolarHBondContact CG2-ND1 3.18Å; V37-H73 PolarHBondContact O-NE2 3.37Å
38K74.4Confident74.5Confident161 Ų16142.3 Ų42.370%0.722%0.218SC*.Hα-helixtrans-69.1-36.2173.3-70.4180178.5175.10112.3I3 N36 A42I3-K38 HydrophobicContact CD1-CB 3.91Å; N36-K38 VanDerWaalsContact C-N 3.34Å; N36-K38 PolarHBondContact O-N 3.14Å; K38-A42 PolarHBondContact O-N 3.41Å
39F79.4Confident73.9Confident5 Ų538 Ų382%0.02220%0.195CC..Hα-helixtrans-68.8-46175.1173.7-87.7000109.9M2 I3 V6 L19 F32 I33 N36 G41 A42 F43M2-F39 HydrophobicContact CB-CD2 4.15Å; M2-F39 HydrophobicContact CB-CE2 4.03Å; M2-F39 HydrophobicContact CE-CD2 4.43Å; M2-F39 HydrophobicContact CE-CE2 3.6Å; M2-F39 HydrophobicContact CE-CZ 3.79Å; M2-F39 HydrophobicContact SD-CE2 4.14Å; I3-F39 HydrophobicContact CG1-CB 4.08Å; I3-F39 HydrophobicContact CG1-CD2 4.24Å; V6-F39 HydrophobicContact CB-CE2 4.36Å; V6-F39 HydrophobicContact CG2-CD2 4.04Å; V6-F39 HydrophobicContact CG2-CE2 3.29Å; V6-F39 HydrophobicContact CG2-CZ 3.65Å; L19-F39 HydrophobicContact CD1-CE1 4.22Å; L19-F39 HydrophobicContact CD1-CZ 3.96Å; L19-F39 HydrophobicContact CD2-CE1 4.21Å; L19-F39 HydrophobicContact CD2-CZ 3.56Å; L19-F39 HydrophobicContact CG-CZ 4.38Å; F32-F39 HydrophobicContact CD1-CD1 4.38Å; F32-F39 HydrophobicContact CD1-CE1 4.41Å; F32-F39 AromaticContact CE1-CD1 3.76Å; F32-F39 HydrophobicContact CE1-CD1 3.76Å; F32-F39 HydrophobicContact CE1-CD2 4.41Å; F32-F39 AromaticContact CE1-CE1 3.92Å; F32-F39 HydrophobicContact CE1-CE1 3.92Å; F32-F39 HydrophobicContact CE1-CG 4Å; F32-F39 HydrophobicContact CE1-CZ 4.28Å; I33-F39 HydrophobicContact CG1-CE1 4.46Å; N36-F39 HydrophobicContact CB-CB 4.21Å; N36-F39 VanDerWaalsContact O-CB 3.31Å; N36-F39 WeakPolarHBondContact O-CB 3.39Å; N36-F39 PolarHBondContact O-N 3.47Å; F39-G41 PolarHBondContact O-N 2.74Å; F39-A42 PolarHBondContact O-N 2.96Å; F39-F43 WeakPolarHBondContact O-CB 3.36Å; F39-F43 PolarHBondContact O-N 3.43Å
40A73.1Confident73.5Confident0 Ų038.5 Ų38.50%020%0.202CC..Hα-helixtrans-58.8-48.1179.400000112.7I33 N36 V37 A42 F43 L44 Y61I33-A40 HydrophobicContact CG2-CB 3.57Å; N36-A40 PolarHBondContact O-N 3.3Å; V37-A40 PolarHBondContact O-N 2.92Å; A40-A42 VanDerWaalsContact C-N 3.35Å; A40-A42 PolarHBondContact O-N 2.76Å; A40-F43 WeakPolarHBondContact O-CB 3.47Å; A40-F43 PolarHBondContact O-N 3.07Å; A40-L44 VanDerWaalsContact O-CD1 3.23Å; A40-L44 WeakPolarHBondContact O-CD1 2.82Å; A40-L44 WeakPolarHBondContact O-CG 3.44Å; A40-L44 PolarHBondContact O-N 3.25Å; A40-Y61 HydrophobicContact CB-CD2 4.32Å; A40-Y61 HydrophobicContact CB-CE2 3.42Å; A40-Y61 VanDerWaalsContact CB-CE2 3.42Å
41G72.7Confident72.8Confident9 Ų942.2 Ų42.29%0.09322%0.219CC..Hα-helixtrans-59.7-42.3175.600000113V37 F39 L44 V45V37-G41 PolarHBondContact O-N 3Å; F39-G41 PolarHBondContact O-N 2.74Å; G41-L44 PolarHBondContact O-N 3.04Å; G41-V45 VanDerWaalsContact O-CG2 3.25Å; G41-V45 WeakPolarHBondContact O-CG2 3.5Å; G41-V45 PolarHBondContact O-N 3.4Å
42A77.3Confident71.8Confident11 Ų1149 Ų499%0.09124%0.244CC..Hα-helixtrans-66.6-3917700000112.5I3 V6 R7 K38 F39 A40 R46I3-A42 HydrophobicContact CG2-CB 4.08Å; V6-A42 HydrophobicContact CG1-CB 4.32Å; R7-A42 HydrophobicContact CG-CB 4.33Å; K38-A42 PolarHBondContact O-N 3.41Å; F39-A42 PolarHBondContact O-N 2.96Å; A40-A42 VanDerWaalsContact C-N 3.35Å; A40-A42 PolarHBondContact O-N 2.76Å; A42-R46 WeakPolarHBondContact O-CB 3.22Å; A42-R46 PolarHBondContact O-N 2.91Å
43F78Confident71.2Confident5 Ų551.1 Ų51.12%0.02226%0.258CS..Hα-helixtrans-62.6-43.5176179.1-106.7000111.3V6 Y16 L19 L20 F39 A40 N47 L57V6-F43 HydrophobicContact CG1-CB 3.84Å; V6-F43 HydrophobicContact CG1-CD2 4.19Å; Y16-F43 HydrophobicContact CE2-CD2 4.35Å; Y16-F43 HydrophobicContact CE2-CE2 4.39Å; L19-F43 HydrophobicContact CD2-CD2 3.62Å; L19-F43 HydrophobicContact CD2-CE2 3.54Å; L19-F43 HydrophobicContact CG-CD2 4.25Å; L19-F43 HydrophobicContact CG-CE2 3.75Å; L19-F43 HydrophobicContact CG-CZ 4.28Å; L20-F43 HydrophobicContact CB-CZ 4.31Å; L20-F43 HydrophobicContact CD1-CE1 4.3Å; L20-F43 HydrophobicContact CD1-CZ 3.72Å; F39-F43 WeakPolarHBondContact O-CB 3.36Å; F39-F43 PolarHBondContact O-N 3.43Å; A40-F43 WeakPolarHBondContact O-CB 3.47Å; A40-F43 PolarHBondContact O-N 3.07Å; F43-N47 WeakPolarHBondContact CD2-ND2 3.33Å; F43-N47 WeakPolarHBondContact CE2-ND2 3.36Å; F43-N47 WeakPolarHBondContact CZ-ND2 3.31Å; F43-N47 PolarHBondContact O-N 3.29Å; F43-N47 PolarHBondContact O-ND2 3.42Å; F43-L57 HydrophobicContact CE1-CD1 4.46Å; F43-L57 HydrophobicContact CE1-CD2 4.28Å
44L75Confident70.9Confident5 Ų551.7 Ų51.73%0.02626%0.262CS..Hα-helixtrans-73.2-46-178.8-73.9150.9000113.8A40 G41 R46 N47 A48 L57 Y61 L81A40-L44 VanDerWaalsContact O-CD1 3.23Å; A40-L44 WeakPolarHBondContact O-CD1 2.82Å; A40-L44 WeakPolarHBondContact O-CG 3.44Å; A40-L44 PolarHBondContact O-N 3.25Å; G41-L44 PolarHBondContact O-N 3.04Å; L44-R46 PolarHBondContact O-N 3.02Å; L44-N47 PolarHBondContact O-N 2.64Å; L44-A48 WeakPolarHBondContact O-CB 3.26Å; L44-A48 PolarHBondContact O-N 3.36Å; L44-L57 HydrophobicContact CD2-CD2 3.99Å; L44-L57 HydrophobicContact CD2-CG 3.74Å; L44-Y61 HydrophobicContact CD1-CD1 3.14Å; L44-Y61 HydrophobicContact CD1-CD2 3.23Å; L44-Y61 HydrophobicContact CD1-CE1 3.49Å; L44-Y61 VanDerWaalsContact CD1-CE1 3.49Å; L44-Y61 HydrophobicContact CD1-CE2 3.58Å; L44-Y61 HydrophobicContact CD1-CG 2.93Å; L44-Y61 HydrophobicContact CD2-CG 4.14Å; L44-Y61 HydrophobicContact CG-CD1 4.45Å; L44-Y61 HydrophobicContact CG-CD2 4.41Å; L44-Y61 HydrophobicContact CG-CG 4.08Å; L44-L81 HydrophobicContact CB-CD1 4.16Å; L44-L81 HydrophobicContact CB-CD2 3.84Å; L44-L81 HydrophobicContact CD1-CD1 4.27Å
45V74.3Confident70.8Confident18 Ų1847.4 Ų47.411%0.10925%0.247CC..Hα-helixtrans-53.6-45.8176.9169.50000108.6G41 L49 L81 E84G41-V45 VanDerWaalsContact O-CG2 3.25Å; G41-V45 WeakPolarHBondContact O-CG2 3.5Å; G41-V45 PolarHBondContact O-N 3.4Å; V45-L49 HydrophobicContact CG1-CD1 3.85Å; V45-L49 WeakPolarHBondContact O-CB 3.48Å; V45-L49 WeakPolarHBondContact O-CG 3.36Å; V45-L49 PolarHBondContact O-N 3.42Å; V45-L49 VanDerWaalsContact O-N 3.07Å; V45-L81 HydrophobicContact CB-CD2 4.29Å; V45-L81 HydrophobicContact CG2-CD2 3.51Å; V45-L81 HydrophobicContact CG2-CG 4.35Å; V45-E84 HydrophobicContact CG1-CB 4.36Å; V45-E84 HydrophobicContact CG1-CG 4.02Å; V45-E84 WeakPolarHBondContact CG1-OE2 3.5Å; V45-E84 HydrophobicContact CG2-CG 4.1Å
46R75.5Confident70.9Confident46 Ų4647.2 Ų47.217%0.17424%0.242CC..Hα-helixtrans-66.8-47.5-178.6-166.1169.7-162.4-161.80.7113.9F5 V6 R7 T8 A9 I11 A42 L44 L49 S50F5-R46 PolarHBondContact O-NH1 3.46Å; V6-R46 VanDerWaalsContact C-NH1 3.28Å; V6-R46 WeakPolarHBondContact O-CD 3.25Å; V6-R46 PolarHBondContact O-NE 3.2Å; V6-R46 PolarHBondContact O-NH1 3.2Å; R7-R46 PolarHBondContact O-NE 3.49Å; R7-R46 PolarHBondContact O-NH1 2.85Å; R7-R46 PolarHBondContact O-NH2 3.22Å; T8-R46 VanDerWaalsContact C-NH2 3.28Å; T8-R46 PolarHBondContact O-NH2 3.38Å; A9-R46 VanDerWaalsContact N-NH1 3.13Å; A9-R46 PolarHBondContact O-NH1 3.28Å; A9-R46 PolarHBondContact O-NH2 3.25Å; I11-R46 HydrophobicContact CD1-CG 4.33Å; A42-R46 WeakPolarHBondContact O-CB 3.22Å; A42-R46 PolarHBondContact O-N 2.91Å; L44-R46 PolarHBondContact O-N 3.02Å; R46-L49 PolarHBondContact O-N 3.21Å; R46-S50 WeakPolarHBondContact O-CB 3.5Å; R46-S50 PolarHBondContact O-N 3.44Å; R46-S50 PolarHBondContact O-OG 3.23Å
47N72.5Confident70.8Confident7 Ų745 Ų454%0.03723%0.23CC..Hα-helixtrans-65.3-42.1178.6-78.3-62.7000112.2Y16 F43 L44 L49 S50 E51 L57Y16-N47 WeakPolarHBondContact CE1-OD1 3.39Å; Y16-N47 PolarHBondContact OH-ND2 2.99Å; Y16-N47 PolarHBondContact OH-OD1 3.07Å; F43-N47 WeakPolarHBondContact CD2-ND2 3.33Å; F43-N47 WeakPolarHBondContact CE2-ND2 3.36Å; F43-N47 WeakPolarHBondContact CZ-ND2 3.31Å; F43-N47 PolarHBondContact O-N 3.29Å; F43-N47 PolarHBondContact O-ND2 3.42Å; L44-N47 PolarHBondContact O-N 2.64Å; N47-L49 PolarHBondContact O-N 2.81Å; N47-S50 PolarHBondContact O-N 3.48Å; N47-E51 PolarHBondContact O-N 3.02Å; N47-L57 HydrophobicContact CB-CD2 3.14Å
48A66.1Low71.2Confident4 Ų443.5 Ų43.53%0.03322%0.221CC..Hα-helixtrans-62.5-28.6177.900000113.1L44 S50 T54 F85L44-A48 WeakPolarHBondContact O-CB 3.26Å; L44-A48 PolarHBondContact O-N 3.36Å; A48-S50 VanDerWaalsContact C-N 3.31Å; A48-T54 HydrophobicContact CB-CG2 3.76Å; A48-T54 WeakPolarHBondContact O-CG2 3.23Å; A48-T54 PolarHBondContact O-OG1 3.11Å; A48-F85 HydrophobicContact CB-CD2 4.44Å; A48-F85 HydrophobicContact CB-CE2 3.39Å; A48-F85 HydrophobicContact CB-CZ 3.54Å
49L66.8Low71.4Confident36 Ų3640 Ų4019%0.18821%0.206CC..THydrogen-bonded Turntrans-84.6-5.4176.5-66.6177.4000113.3V45 R46 N47 H88 K90V45-L49 HydrophobicContact CG1-CD1 3.85Å; V45-L49 WeakPolarHBondContact O-CB 3.48Å; V45-L49 WeakPolarHBondContact O-CG 3.36Å; V45-L49 PolarHBondContact O-N 3.42Å; V45-L49 VanDerWaalsContact O-N 3.07Å; R46-L49 PolarHBondContact O-N 3.21Å; N47-L49 PolarHBondContact O-N 2.81Å; L49-H88 WeakPolarHBondContact CD1-NE2 3.41Å; L49-H88 HydrophobicContact CD2-CB 3.55Å; L49-H88 WeakPolarHBondContact CD2-CD2 3.37Å; L49-K90 VanDerWaalsContact C-NZ 3.29Å; L49-K90 HydrophobicContact CD2-CD 4.32Å; L49-K90 PolarHBondContact O-NZ 3.13Å
50S66.5Low71.2Confident54 Ų5442.9 Ų42.938%0.37822%0.217SC..THydrogen-bonded Turntrans-119.4-19.2-164.4-56.10000116.9I11 R46 N47 A48I11-S50 WeakPolarHBondContact CD1-OG 3.47Å; R46-S50 WeakPolarHBondContact O-CB 3.5Å; R46-S50 PolarHBondContact O-N 3.44Å; R46-S50 PolarHBondContact O-OG 3.23Å; N47-S50 PolarHBondContact O-N 3.48Å; A48-S50 VanDerWaalsContact C-N 3.31Å
51E61.8Low71.3Confident95 Ų9543.4 Ų43.444%0.44422%0.218SC..  trans-131.8164.8-173.4-74.2-158.9167.500115.9N47 D53 T54N47-E51 PolarHBondContact O-N 3.02Å; E51-D53 VanDerWaalsContact C-N 3.3Å; E51-D53 PolarHBondContact O-N 3.42Å; E51-T54 PolarHBondContact O-OG1 3.35Å
52Q56.9Low71.6Confident203 Ų20343.1 Ų43.195%0.94922%0.215SC*.THydrogen-bonded Turntrans-64.4-23175.7-87.4178.7-23.300114
53D63.6Low71.6Confident111 Ų11150 Ų5059%0.59424%0.238SC*.THydrogen-bonded Turntrans-105.333.1-177.2-76-32.1000114.2E51 C55 L56E51-D53 VanDerWaalsContact C-N 3.3Å; E51-D53 PolarHBondContact O-N 3.42Å; D53-C55 PolarHBondContact O-N 2.97Å; D53-C55 VanDerWaalsContact O-N 3.08Å; D53-L56 HydrophobicContact CB-CB 4.44Å; D53-L56 PolarHBondContact O-N 3.08Å
54T67.9Low71.3Confident19 Ų1950.7 Ų50.712%0.11724%0.242CC..Hα-helixtrans-48.4-38.6-178.5-71.70000113.9A48 E51 F58 F85A48-T54 HydrophobicContact CB-CG2 3.76Å; A48-T54 WeakPolarHBondContact O-CG2 3.23Å; A48-T54 PolarHBondContact O-OG1 3.11Å; E51-T54 PolarHBondContact O-OG1 3.35Å; T54-F58 WeakPolarHBondContact O-CB 3.26Å; T54-F58 PolarHBondContact O-N 3.3Å; T54-F85 HydrophobicContact CG2-CD1 4.32Å; T54-F85 HydrophobicContact CG2-CE1 3.16Å; T54-F85 HydrophobicContact CG2-CE2 4.24Å; T54-F85 HydrophobicContact CG2-CZ 3.13Å
55C70.6Confident71.2Confident9 Ų950.7 Ų50.76%0.06124%0.242CC..Hα-helixtrans-75.7-31.7-177-157.10000113.3D53 L57 F58 K59 E94D53-C55 PolarHBondContact O-N 2.97Å; D53-C55 VanDerWaalsContact O-N 3.08Å; C55-L57 PolarHBondContact O-N 3.47Å; C55-F58 PolarHBondContact O-N 3.3Å; C55-K59 VanDerWaalsContact O-CB 3.3Å; C55-K59 WeakPolarHBondContact O-CB 3.36Å; C55-K59 PolarHBondContact O-N 3.33Å; C55-E94 HydrophobicContact CB-CB 4.43Å; C55-E94 VanDerWaalsContact CB-CD 3.49Å; C55-E94 HydrophobicContact CB-CG 4.19Å; C55-E94 VanDerWaalsContact CB-OE2 3.26Å; C55-E94 WeakPolarHBondContact CB-OE2 3.3Å; C55-E94 WeakPolarHBondContact SG-CG 3.41Å
56L75.4Confident71.1Confident96 Ų9653.6 Ų53.650%0.50326%0.255SS..Hα-helixtrans-64.2-45.4-179.3-172.5152.1000111D53 K59 R60D53-L56 HydrophobicContact CB-CB 4.44Å; D53-L56 PolarHBondContact O-N 3.08Å; L56-K59 PolarHBondContact O-N 2.99Å; L56-R60 PolarHBondContact O-N 3.3Å
57L72.3Confident70.6Confident17 Ų1753.8 Ų53.89%0.08927%0.271CS..Hα-helixtrans-69.6-38.4178-166.670.9000111.7L20 F43 L44 N47 C55 R60 Y61L20-L57 HydrophobicContact CD1-CD1 3.89Å; L20-L57 HydrophobicContact CD1-CD2 4.14Å; F43-L57 HydrophobicContact CE1-CD1 4.46Å; F43-L57 HydrophobicContact CE1-CD2 4.28Å; L44-L57 HydrophobicContact CD2-CD2 3.99Å; L44-L57 HydrophobicContact CD2-CG 3.74Å; N47-L57 HydrophobicContact CB-CD2 3.14Å; C55-L57 PolarHBondContact O-N 3.47Å; L57-R60 PolarHBondContact O-N 3.08Å; L57-Y61 PolarHBondContact O-N 3.42Å
58F75.9Confident70.1Confident2 Ų254.9 Ų54.91%0.00928%0.278CS..Hα-helixtrans-57.6-52.9172.9-178-111.3000111.1T54 C55 R60 Y61 M62 L81 H95 V98 V99T54-F58 WeakPolarHBondContact O-CB 3.26Å; T54-F58 PolarHBondContact O-N 3.3Å; C55-F58 PolarHBondContact O-N 3.3Å; F58-R60 VanDerWaalsContact C-N 3.28Å; F58-R60 PolarHBondContact O-N 2.7Å; F58-Y61 PolarHBondContact O-N 3.27Å; F58-Y61 VanDerWaalsContact O-N 3.08Å; F58-M62 HydrophobicContact CD1-CG 4.19Å; F58-M62 HydrophobicContact CE1-CG 3.87Å; F58-M62 HydrophobicContact CE1-SD 4.39Å; F58-M62 HydrophobicContact CE2-CG 4.2Å; F58-M62 HydrophobicContact CE2-SD 3.91Å; F58-M62 HydrophobicContact CG-CG 4.49Å; F58-M62 HydrophobicContact CZ-CG 3.86Å; F58-M62 HydrophobicContact CZ-SD 3.77Å; F58-M62 VanDerWaalsContact O-CG 3.31Å; F58-M62 WeakPolarHBondContact O-CG 3.46Å; F58-M62 PolarHBondContact O-N 2.79Å; F58-L81 HydrophobicContact CD2-CB 4.34Å; F58-L81 HydrophobicContact CD2-CD1 3.82Å; F58-L81 HydrophobicContact CE2-CB 3.8Å; F58-L81 HydrophobicContact CE2-CD1 3.65Å; F58-L81 HydrophobicContact CE2-CG 4.32Å; F58-H95 AromaticContact CD1-CE1 3.76Å; F58-H95 AromaticContact CD1-ND1 3.51Å; F58-H95 AromaticContact CD2-CE1 3.84Å; F58-H95 AromaticContact CE1-CE1 3.44Å; F58-H95 VanDerWaalsContact CE1-CE1 3.44Å; F58-H95 WeakPolarHBondContact CE1-CE1 3.4Å; F58-H95 AromaticContact CE1-ND1 3.55Å; F58-H95 AromaticContact CE1-NE2 3.91Å; F58-H95 AromaticContact CE2-CE1 3.53Å; F58-H95 AromaticContact CG-CE1 3.96Å; F58-H95 AromaticContact CG-ND1 3.85Å; F58-H95 AromaticContact CZ-CE1 3.33Å; F58-H95 WeakPolarHBondContact CZ-CE1 3.06Å; F58-H95 AromaticContact CZ-ND1 3.93Å; F58-H95 AromaticContact CZ-NE2 3.74Å; F58-V98 HydrophobicContact CD1-CB 3.89Å; F58-V98 HydrophobicContact CD1-CG1 3.46Å; F58-V98 VanDerWaalsContact CD1-CG1 3.46Å; F58-V98 HydrophobicContact CE1-CB 3.8Å; F58-V98 HydrophobicContact CE1-CG1 3.39Å; F58-V98 HydrophobicContact CZ-CG1 4.49Å; F58-V99 HydrophobicContact CE1-CG2 3.79Å; F58-V99 HydrophobicContact CZ-CG2 3.7Å
59K77.8Confident69.8Low89 Ų8963 Ų6339%0.38732%0.321SS..Hα-helixtrans-56.2-40.7176.5-172.9175.8-172.5169.60112.6C55 L56 M62 R63 V98C55-K59 VanDerWaalsContact O-CB 3.3Å; C55-K59 WeakPolarHBondContact O-CB 3.36Å; C55-K59 PolarHBondContact O-N 3.33Å; L56-K59 PolarHBondContact O-N 2.99Å; K59-M62 PolarHBondContact O-N 3.3Å; K59-R63 WeakPolarHBondContact O-CG 3.41Å; K59-R63 PolarHBondContact O-N 3.49Å; K59-R63 VanDerWaalsContact O-N 3.16Å; K59-V98 HydrophobicContact CB-CG1 4.32Å; K59-V98 HydrophobicContact CB-CG2 4.11Å; K59-V98 HydrophobicContact CD-CG2 4.39Å; K59-V98 HydrophobicContact CG-CG2 4.22Å
60R75.9Confident70.1Confident65 Ų6563.8 Ų63.825%0.24533%0.33CS..Hα-helixtrans-61.8-47.8175.5-175-178.9-67.21580.6111.1L56 L57 F58 M62 R63 L64L56-R60 PolarHBondContact O-N 3.3Å; L57-R60 PolarHBondContact O-N 3.08Å; F58-R60 VanDerWaalsContact C-N 3.28Å; F58-R60 PolarHBondContact O-N 2.7Å; R60-M62 VanDerWaalsContact C-N 3.33Å; R60-M62 PolarHBondContact O-N 2.84Å; R60-R63 WeakPolarHBondContact O-CB 3.45Å; R60-R63 PolarHBondContact O-N 3.41Å; R60-L64 WeakPolarHBondContact O-CG 3.26Å; R60-L64 PolarHBondContact O-N 3.02Å; R60-L64 VanDerWaalsContact O-N 3.11Å
61Y75Confident70.6Confident10 Ų1063.8 Ų63.84%0.03933%0.327CS..Hα-helixtrans-66.1-36.7178.6179.9-111.1000113.2I33 A40 L44 L57 F58 R63 L64 C65 T77 L81I33-Y61 HydrophobicContact CG2-CD2 4.41Å; I33-Y61 HydrophobicContact CG2-CE2 4.37Å; A40-Y61 HydrophobicContact CB-CD2 4.32Å; A40-Y61 HydrophobicContact CB-CE2 3.42Å; A40-Y61 VanDerWaalsContact CB-CE2 3.42Å; L44-Y61 HydrophobicContact CD1-CD1 3.14Å; L44-Y61 HydrophobicContact CD1-CD2 3.23Å; L44-Y61 HydrophobicContact CD1-CE1 3.49Å; L44-Y61 VanDerWaalsContact CD1-CE1 3.49Å; L44-Y61 HydrophobicContact CD1-CE2 3.58Å; L44-Y61 HydrophobicContact CD1-CG 2.93Å; L44-Y61 HydrophobicContact CD2-CG 4.14Å; L44-Y61 HydrophobicContact CG-CD1 4.45Å; L44-Y61 HydrophobicContact CG-CD2 4.41Å; L44-Y61 HydrophobicContact CG-CG 4.08Å; L57-Y61 PolarHBondContact O-N 3.42Å; F58-Y61 PolarHBondContact O-N 3.27Å; F58-Y61 VanDerWaalsContact O-N 3.08Å; Y61-R63 VanDerWaalsContact C-N 3.28Å; Y61-R63 PolarHBondContact O-N 3.07Å; Y61-L64 HydrophobicContact CD2-CB 4.4Å; Y61-L64 HydrophobicContact CD2-CD1 4.47Å; Y61-L64 CarbonylContact O-C 3.55Å; Y61-L64 WeakPolarHBondContact O-CA 3.46Å; Y61-L64 WeakPolarHBondContact O-CB 3.36Å; Y61-L64 PolarHBondContact O-N 3.26Å; Y61-C65 WeakPolarHBondContact CE1-SG 3.36Å; Y61-C65 WeakPolarHBondContact O-CB 3.36Å; Y61-C65 PolarHBondContact O-N 3.27Å; Y61-T77 HydrophobicContact CD1-CG2 4.38Å; Y61-T77 HydrophobicContact CE1-CG2 3.34Å; Y61-T77 PolarHBondContact OH-OG1 3.34Å; Y61-L81 HydrophobicContact CD1-CD1 4.26Å; Y61-L81 HydrophobicContact CE1-CD1 4.38Å
62M77.6Confident71.5Confident4 Ų461 Ų612%0.0232%0.317CS..Hα-helixtrans-56-44.3174.3-70.9-41.7-64.200111.9F58 K59 R60 L64 C65 E66 V78 V98 F102F58-M62 HydrophobicContact CD1-CG 4.19Å; F58-M62 HydrophobicContact CE1-CG 3.87Å; F58-M62 HydrophobicContact CE1-SD 4.39Å; F58-M62 HydrophobicContact CE2-CG 4.2Å; F58-M62 HydrophobicContact CE2-SD 3.91Å; F58-M62 HydrophobicContact CG-CG 4.49Å; F58-M62 HydrophobicContact CZ-CG 3.86Å; F58-M62 HydrophobicContact CZ-SD 3.77Å; F58-M62 VanDerWaalsContact O-CG 3.31Å; F58-M62 WeakPolarHBondContact O-CG 3.46Å; F58-M62 PolarHBondContact O-N 2.79Å; K59-M62 PolarHBondContact O-N 3.3Å; R60-M62 VanDerWaalsContact C-N 3.33Å; R60-M62 PolarHBondContact O-N 2.84Å; M62-L64 VanDerWaalsContact C-N 3.32Å; M62-L64 PolarHBondContact O-N 2.71Å; M62-C65 WeakPolarHBondContact O-CB 3.25Å; M62-C65 PolarHBondContact O-N 3.04Å; M62-E66 WeakPolarHBondContact O-CG 3.41Å; M62-E66 PolarHBondContact O-N 3.02Å; M62-V78 HydrophobicContact CE-CB 4.46Å; M62-V78 HydrophobicContact CE-CG2 3.11Å; M62-V78 HydrophobicContact SD-CG2 3.5Å; M62-V78 WeakPolarHBondContact SD-CG2 3.16Å; M62-V98 HydrophobicContact CB-CG1 4.04Å; M62-V98 HydrophobicContact CG-CG1 3.56Å; M62-F102 HydrophobicContact CE-CB 3.29Å; M62-F102 HydrophobicContact CE-CD1 3.55Å; M62-F102 HydrophobicContact CE-CD2 3.1Å; M62-F102 HydrophobicContact CE-CE1 4.1Å; M62-F102 HydrophobicContact CE-CE2 3.7Å; M62-F102 HydrophobicContact CE-CG 2.99Å; M62-F102 HydrophobicContact CE-CZ 4.16Å
63R77.9Confident72.4Confident155 Ų15552.9 Ų52.959%0.58528%0.279SS*.Hα-helixtrans-62.7-36.1172.5-67.3173.7-178.8162.1-4.3113.1K59 R60 Y61K59-R63 WeakPolarHBondContact O-CG 3.41Å; K59-R63 PolarHBondContact O-N 3.49Å; K59-R63 VanDerWaalsContact O-N 3.16Å; R60-R63 WeakPolarHBondContact O-CB 3.45Å; R60-R63 PolarHBondContact O-N 3.41Å; Y61-R63 VanDerWaalsContact C-N 3.28Å; Y61-R63 PolarHBondContact O-N 3.07Å
64L72.5Confident73.1Confident19 Ų1947.8 Ų47.810%0.09925%0.252CS..Hα-helixtrans-65.4-44.6174.5-65.3178000110.8I30 I33 R34 R60 Y61 M62 E66 G67 V68I30-L64 HydrophobicContact CG2-CD2 3.62Å; I33-L64 HydrophobicContact CG2-CD1 3.95Å; R34-L64 HydrophobicContact CG-CB 4.43Å; R34-L64 HydrophobicContact CG-CD2 4.36Å; R60-L64 WeakPolarHBondContact O-CG 3.26Å; R60-L64 PolarHBondContact O-N 3.02Å; R60-L64 VanDerWaalsContact O-N 3.11Å; Y61-L64 HydrophobicContact CD2-CB 4.4Å; Y61-L64 HydrophobicContact CD2-CD1 4.47Å; Y61-L64 CarbonylContact O-C 3.55Å; Y61-L64 WeakPolarHBondContact O-CA 3.46Å; Y61-L64 WeakPolarHBondContact O-CB 3.36Å; Y61-L64 PolarHBondContact O-N 3.26Å; M62-L64 VanDerWaalsContact C-N 3.32Å; M62-L64 PolarHBondContact O-N 2.71Å; L64-E66 VanDerWaalsContact C-N 3.33Å; L64-E66 PolarHBondContact O-N 3.43Å; L64-G67 WeakPolarHBondContact O-CA 3.4Å; L64-G67 PolarHBondContact O-N 2.8Å; L64-V68 VanDerWaalsContact O-CG2 3.26Å; L64-V68 WeakPolarHBondContact O-CG2 3.3Å; L64-V68 PolarHBondContact O-N 3.42Å
65C71.4Confident74Confident5 Ų547.3 Ų47.33%0.03425%0.248CC..Hα-helixtrans-61-35.1178.2-92.20000113.9Y61 M62 G67 V68 S74 F102Y61-C65 WeakPolarHBondContact CE1-SG 3.36Å; Y61-C65 WeakPolarHBondContact O-CB 3.36Å; Y61-C65 PolarHBondContact O-N 3.27Å; M62-C65 WeakPolarHBondContact O-CB 3.25Å; M62-C65 PolarHBondContact O-N 3.04Å; C65-G67 PolarHBondContact O-N 3.16Å; C65-V68 PolarHBondContact O-N 3.39Å; C65-S74 WeakPolarHBondContact CB-OG 3.36Å; C65-S74 PolarHBondContact O-OG 3.05Å; C65-S74 PolarHBondContact SG-OG 2.85Å; C65-F102 HydrophobicContact CB-CE2 4.32Å
66E72.5Confident74.6Confident79 Ų7952.3 Ų52.337%0.36927%0.271SS..Hα-helixtrans-61.7-29.2172.1-71.5170.5-17900112M62 L64 F102M62-E66 WeakPolarHBondContact O-CG 3.41Å; M62-E66 PolarHBondContact O-N 3.02Å; L64-E66 VanDerWaalsContact C-N 3.33Å; L64-E66 PolarHBondContact O-N 3.43Å; E66-F102 HydrophobicContact CG-CD2 3.92Å; E66-F102 HydrophobicContact CG-CE2 4.24Å
67G65.9Low74.7Confident50 Ų5048 Ų4852%0.51525%0.249SC..THydrogen-bonded Turntrans-94.23.8179.100000115.7L64 C65L64-G67 WeakPolarHBondContact O-CA 3.4Å; L64-G67 PolarHBondContact O-N 2.8Å; C65-G67 PolarHBondContact O-N 3.16Å
68V62.3Low75.3Confident30 Ų3047.2 Ų47.218%0.18225%0.245CC..  trans-92.7136.3-179.4-1700000110.7R34 L64 C65 S70R34-V68 HydrophobicContact CB-CG2 4.25Å; R34-V68 HydrophobicContact CG-CG2 4.26Å; L64-V68 VanDerWaalsContact O-CG2 3.26Å; L64-V68 WeakPolarHBondContact O-CG2 3.3Å; L64-V68 PolarHBondContact O-N 3.42Å; C65-V68 PolarHBondContact O-N 3.39Å; V68-S70 PolarHBondContact O-N 3.02Å
69N59.8Low75.8Confident174 Ų17448.3 Ų48.393%0.9325%0.251SS*.SBendtrans-65-1.3175.3-69.4-18000114.9
70S73.1Confident76Confident54 Ų5448.8 Ų48.838%0.37825%0.253SS..  trans-114.180.8-177.2-171.80000111.1V68 V72 H73 S74V68-S70 PolarHBondContact O-N 3.02Å; S70-V72 VanDerWaalsContact C-N 3.27Å; S70-V72 PolarHBondContact O-N 2.96Å; S70-H73 PolarHBondContact O-N 2.87Å; S70-S74 PolarHBondContact O-N 2.82Å
71T76.9Confident76.2Confident53 Ų5345.7 Ų45.733%0.32524%0.241SC..Hα-helixtrans-53.1-45.1179.1-47.50000111.7H73 S74 L75 T106 T115T71-H73 VanDerWaalsContact C-N 3.29Å; T71-H73 PolarHBondContact O-N 3.28Å; T71-S74 PolarHBondContact O-N 3.13Å; T71-S74 VanDerWaalsContact O-N 3.13Å; T71-L75 HydrophobicContact CG2-CD1 4.16Å; T71-L75 HydrophobicContact CG2-CD2 4.36Å; T71-L75 HydrophobicContact CG2-CG 4.19Å; T71-L75 VanDerWaalsContact O-CG 3.3Å; T71-L75 WeakPolarHBondContact O-CG 3.34Å; T71-L75 PolarHBondContact O-N 3.21Å; T71-T106 HydrophobicContact CG2-CG2 4.45Å; T71-T115 HydrophobicContact CG2-CG2 3.85Å
72V80.3Confident76.8Confident37 Ų3745.3 Ų45.322%0.22424%0.239CC..Hα-helixtrans-48.7-50.1179.9179.30000111.8S70 L75 E76 L118S70-V72 VanDerWaalsContact C-N 3.27Å; S70-V72 PolarHBondContact O-N 2.96Å; V72-L75 PolarHBondContact O-N 3.44Å; V72-E76 WeakPolarHBondContact O-CG 3.5Å; V72-E76 PolarHBondContact O-N 2.83Å; V72-L118 HydrophobicContact CB-CD1 4.49Å; V72-L118 HydrophobicContact CG2-CD1 3.53Å
73H75.4Confident77.2Confident32 Ų3248 Ų4815%0.14825%0.251CS..Hα-helixtrans-70.7-39.1-175.2-170.491.3000111.9V37 S70 T71 L75 E76 T77V37-H73 WeakPolarHBondContact CB-CD2 3.44Å; V37-H73 WeakPolarHBondContact CB-NE2 3.41Å; V37-H73 HydrophobicContact CG2-CB 4.5Å; V37-H73 WeakPolarHBondContact CG2-ND1 3.18Å; V37-H73 PolarHBondContact O-NE2 3.37Å; S70-H73 PolarHBondContact O-N 2.87Å; T71-H73 VanDerWaalsContact C-N 3.29Å; T71-H73 PolarHBondContact O-N 3.28Å; H73-L75 VanDerWaalsContact C-N 3.3Å; H73-L75 PolarHBondContact O-N 3.28Å; H73-E76 PolarHBondContact O-N 3.33Å; H73-T77 PolarHBondContact CD2-OG1 3.44Å; H73-T77 PolarHBondContact NE2-OG1 3.11Å; H73-T77 WeakPolarHBondContact O-CB 3.31Å; H73-T77 PolarHBondContact O-N 3.21Å; H73-T77 PolarHBondContact O-OG1 2.98Å
74S79.1Confident77.4Confident4 Ų442.4 Ų42.43%0.02823%0.232CC..Hα-helixtrans-57.6-45.9174.3-64.20000110.4C65 S70 T71 T77 V78C65-S74 WeakPolarHBondContact CB-OG 3.36Å; C65-S74 PolarHBondContact O-OG 3.05Å; C65-S74 PolarHBondContact SG-OG 2.85Å; S70-S74 PolarHBondContact O-N 2.82Å; T71-S74 PolarHBondContact O-N 3.13Å; T71-S74 VanDerWaalsContact O-N 3.13Å; S74-T77 PolarHBondContact O-N 3.28Å; S74-V78 VanDerWaalsContact O-CG2 3.29Å; S74-V78 WeakPolarHBondContact O-CG2 3.29Å; S74-V78 PolarHBondContact O-N 2.86Å; S74-V78 VanDerWaalsContact O-N 3.11Å
75L85.9Confident77.9Confident9 Ų941.6 Ų41.65%0.04723%0.227CC..Hα-helixtrans-63.3-44.5176.6-53.5179.9000112.2T71 V72 H73 T77 L79 F102 T106 L118 V119 L122T71-L75 HydrophobicContact CG2-CD1 4.16Å; T71-L75 HydrophobicContact CG2-CD2 4.36Å; T71-L75 HydrophobicContact CG2-CG 4.19Å; T71-L75 VanDerWaalsContact O-CG 3.3Å; T71-L75 WeakPolarHBondContact O-CG 3.34Å; T71-L75 PolarHBondContact O-N 3.21Å; V72-L75 PolarHBondContact O-N 3.44Å; H73-L75 VanDerWaalsContact C-N 3.3Å; H73-L75 PolarHBondContact O-N 3.28Å; L75-T77 VanDerWaalsContact C-N 3.34Å; L75-T77 PolarHBondContact O-N 2.88Å; L75-L79 WeakPolarHBondContact O-CB 3.44Å; L75-L79 PolarHBondContact O-N 3.4Å; L75-L79 VanDerWaalsContact O-N 3.14Å; L75-F102 HydrophobicContact CD2-CE1 3.85Å; L75-F102 HydrophobicContact CD2-CZ 4.03Å; L75-T106 HydrophobicContact CD2-CG2 3.92Å; L75-L118 HydrophobicContact CD1-CB 3.61Å; L75-V119 HydrophobicContact CD1-CG2 4.43Å; L75-L122 HydrophobicContact CB-CD1 4.39Å; L75-L122 HydrophobicContact CB-CD2 3.96Å; L75-L122 HydrophobicContact CD2-CD2 3.37Å; L75-L122 HydrophobicContact CG-CD2 4.1Å
76E82.9Confident78.7Confident114 Ų11444.3 Ų44.353%0.53324%0.241SC..Hα-helixtrans-62.9-39.4177.9-76-178.9174.500112.5V72 H73 L79 K80V72-E76 WeakPolarHBondContact O-CG 3.5Å; V72-E76 PolarHBondContact O-N 2.83Å; H73-E76 PolarHBondContact O-N 3.33Å; E76-L79 PolarHBondContact O-N 3.47Å; E76-K80 WeakPolarHBondContact O-CB 3.33Å; E76-K80 PolarHBondContact O-N 3.44Å
77T78.2Confident79.3Confident7 Ų747.1 Ų47.14%0.04325%0.254CS..Hα-helixtrans-71.2-41.4-178.1-50.70000111.6Y61 H73 S74 L75 L79 K80 L81Y61-T77 HydrophobicContact CD1-CG2 4.38Å; Y61-T77 HydrophobicContact CE1-CG2 3.34Å; Y61-T77 PolarHBondContact OH-OG1 3.34Å; H73-T77 PolarHBondContact CD2-OG1 3.44Å; H73-T77 PolarHBondContact NE2-OG1 3.11Å; H73-T77 WeakPolarHBondContact O-CB 3.31Å; H73-T77 PolarHBondContact O-N 3.21Å; H73-T77 PolarHBondContact O-OG1 2.98Å; S74-T77 PolarHBondContact O-N 3.28Å; L75-T77 VanDerWaalsContact C-N 3.34Å; L75-T77 PolarHBondContact O-N 2.88Å; T77-L79 VanDerWaalsContact C-N 3.29Å; T77-L79 PolarHBondContact O-N 3.22Å; T77-K80 PolarHBondContact O-N 3Å; T77-L81 HydrophobicContact CG2-CD1 3.69Å; T77-L81 HydrophobicContact CG2-CG 4.16Å; T77-L81 WeakPolarHBondContact O-CB 3.49Å; T77-L81 WeakPolarHBondContact O-CG 3.39Å; T77-L81 PolarHBondContact O-N 2.94Å
78V84.8Confident80.1Confident0 Ų049.5 Ų49.50%025%0.251CS..Hα-helixtrans-55.3-50.8173.2172.10000110.1M62 S74 K80 L81 S82 V99 F102 L126M62-V78 HydrophobicContact CE-CB 4.46Å; M62-V78 HydrophobicContact CE-CG2 3.11Å; M62-V78 HydrophobicContact SD-CG2 3.5Å; M62-V78 WeakPolarHBondContact SD-CG2 3.16Å; S74-V78 VanDerWaalsContact O-CG2 3.29Å; S74-V78 WeakPolarHBondContact O-CG2 3.29Å; S74-V78 PolarHBondContact O-N 2.86Å; S74-V78 VanDerWaalsContact O-N 3.11Å; V78-K80 VanDerWaalsContact C-N 3.35Å; V78-K80 PolarHBondContact O-N 3.33Å; V78-L81 PolarHBondContact O-N 3.47Å; V78-S82 WeakPolarHBondContact O-CB 3.45Å; V78-S82 PolarHBondContact O-N 3.06Å; V78-S82 PolarHBondContact O-OG 3.39Å; V78-S82 VanDerWaalsContact O-OG 3.05Å; V78-V99 HydrophobicContact CG1-CG1 3.97Å; V78-V99 HydrophobicContact CG1-CG2 4.33Å; V78-F102 HydrophobicContact CB-CE1 4.42Å; V78-F102 HydrophobicContact CG1-CD1 4.46Å; V78-F102 HydrophobicContact CG2-CD1 3.81Å; V78-F102 HydrophobicContact CG2-CE1 3.65Å; V78-F102 HydrophobicContact CG2-CG 4.39Å; V78-F102 HydrophobicContact CG2-CZ 4.08Å; V78-L126 HydrophobicContact CG1-CD1 4.49Å
79L86.4Confident81.1Confident25 Ų2555.4 Ų55.413%0.13128%0.282CS..Hα-helixtrans-61.3-43.8-179.6177.867.9000112.2L75 E76 T77 K83 L122 K125 L126L75-L79 WeakPolarHBondContact O-CB 3.44Å; L75-L79 PolarHBondContact O-N 3.4Å; L75-L79 VanDerWaalsContact O-N 3.14Å; E76-L79 PolarHBondContact O-N 3.47Å; T77-L79 VanDerWaalsContact C-N 3.29Å; T77-L79 PolarHBondContact O-N 3.22Å; L79-K83 WeakPolarHBondContact O-CG 3.23Å; L79-K83 PolarHBondContact O-N 3.49Å; L79-K83 VanDerWaalsContact O-N 3.08Å; L79-L122 HydrophobicContact CB-CD1 4.04Å; L79-K125 HydrophobicContact CD1-CB 4.24Å; L79-K125 HydrophobicContact CD1-CD 3.76Å; L79-K125 HydrophobicContact CD1-CG 3.72Å; L79-K125 HydrophobicContact CD2-CD 3.54Å; L79-K125 HydrophobicContact CD2-CG 4.43Å; L79-K125 HydrophobicContact CG-CD 4.26Å; L79-L126 HydrophobicContact CD1-CD2 4.2Å
80K82.9Confident82.2Confident99 Ų9950.9 Ų50.943%0.4325%0.254SS..Hα-helixtrans-63.9-47.7177.8-176.8176.1178.6179.30111.1E76 T77 V78 K83 E84E76-K80 WeakPolarHBondContact O-CB 3.33Å; E76-K80 PolarHBondContact O-N 3.44Å; T77-K80 PolarHBondContact O-N 3Å; V78-K80 VanDerWaalsContact C-N 3.35Å; V78-K80 PolarHBondContact O-N 3.33Å; K80-K83 WeakPolarHBondContact O-CB 3.49Å; K80-K83 PolarHBondContact O-N 3.2Å; K80-E84 WeakPolarHBondContact CE-OE1 3.37Å; K80-E84 HydrophobicContact CG-CG 4.3Å; K80-E84 IonicContact NZ-OE1 3.88Å; K80-E84 WeakPolarHBondContact O-CG 3.11Å; K80-E84 PolarHBondContact O-N 3.15Å
81L80.2Confident82.8Confident0 Ų050 Ų500%025%0.245CC..Hα-helixtrans-60.8-47.8178.8-76.4166.3000110.7L44 V45 F58 Y61 T77 V78 K83 E84 F85L44-L81 HydrophobicContact CB-CD1 4.16Å; L44-L81 HydrophobicContact CB-CD2 3.84Å; L44-L81 HydrophobicContact CD1-CD1 4.27Å; V45-L81 HydrophobicContact CB-CD2 4.29Å; V45-L81 HydrophobicContact CG2-CD2 3.51Å; V45-L81 HydrophobicContact CG2-CG 4.35Å; F58-L81 HydrophobicContact CD2-CB 4.34Å; F58-L81 HydrophobicContact CD2-CD1 3.82Å; F58-L81 HydrophobicContact CE2-CB 3.8Å; F58-L81 HydrophobicContact CE2-CD1 3.65Å; F58-L81 HydrophobicContact CE2-CG 4.32Å; Y61-L81 HydrophobicContact CD1-CD1 4.26Å; Y61-L81 HydrophobicContact CE1-CD1 4.38Å; T77-L81 HydrophobicContact CG2-CD1 3.69Å; T77-L81 HydrophobicContact CG2-CG 4.16Å; T77-L81 WeakPolarHBondContact O-CB 3.49Å; T77-L81 WeakPolarHBondContact O-CG 3.39Å; T77-L81 PolarHBondContact O-N 2.94Å; V78-L81 PolarHBondContact O-N 3.47Å; L81-K83 VanDerWaalsContact C-N 3.25Å; L81-K83 PolarHBondContact O-N 3.27Å; L81-E84 PolarHBondContact O-N 2.91Å; L81-E84 VanDerWaalsContact O-N 3.15Å; L81-F85 WeakPolarHBondContact O-CD2 3.4Å; L81-F85 PolarHBondContact O-N 3.33Å
82S86.6Confident83.2Confident1 Ų150.7 Ų50.71%0.00725%0.249CC..Hα-helixtrans-60-35.8177.8-590000112.7V78 I86 H95V78-S82 WeakPolarHBondContact O-CB 3.45Å; V78-S82 PolarHBondContact O-N 3.06Å; V78-S82 PolarHBondContact O-OG 3.39Å; V78-S82 VanDerWaalsContact O-OG 3.05Å; S82-I86 WeakPolarHBondContact O-CD1 3.43Å; S82-I86 VanDerWaalsContact O-CG1 3.26Å; S82-I86 WeakPolarHBondContact O-CG1 3.18Å; S82-I86 PolarHBondContact O-N 3.1Å; S82-I86 VanDerWaalsContact O-N 3.08Å; S82-H95 PolarHBondContact OG-NE2 3.44Å
83K86.1Confident83.6Confident61 Ų6154.2 Ų54.227%0.26526%0.263SS..Hα-helixtrans-64-48.3172.8-78.8172.8169.6-77.10112.7L79 K80 L81 F85 I86 E87 E129L79-K83 WeakPolarHBondContact O-CG 3.23Å; L79-K83 PolarHBondContact O-N 3.49Å; L79-K83 VanDerWaalsContact O-N 3.08Å; K80-K83 WeakPolarHBondContact O-CB 3.49Å; K80-K83 PolarHBondContact O-N 3.2Å; L81-K83 VanDerWaalsContact C-N 3.25Å; L81-K83 PolarHBondContact O-N 3.27Å; K83-F85 PolarHBondContact O-N 3.42Å; K83-I86 WeakPolarHBondContact O-CB 3.44Å; K83-I86 PolarHBondContact O-N 3.38Å; K83-E87 WeakPolarHBondContact O-CG 3.33Å; K83-E87 PolarHBondContact O-N 3.22Å; K83-E129 WeakPolarHBondContact CE-OE1 3.13Å; K83-E129 IonicContact NZ-OE1 2.68Å; K83-E129 PolarHBondContact NZ-OE1 3.27Å
84E83Confident84.1Confident38 Ų3857.4 Ų57.418%0.17828%0.278CS..Hα-helixtrans-61.1-38.2179.5-59.9-96.2-177.800110.4V45 K80 L81 I86 E87 H88V45-E84 HydrophobicContact CG1-CB 4.36Å; V45-E84 HydrophobicContact CG1-CG 4.02Å; V45-E84 WeakPolarHBondContact CG1-OE2 3.5Å; V45-E84 HydrophobicContact CG2-CG 4.1Å; K80-E84 WeakPolarHBondContact CE-OE1 3.37Å; K80-E84 HydrophobicContact CG-CG 4.3Å; K80-E84 IonicContact NZ-OE1 3.88Å; K80-E84 WeakPolarHBondContact O-CG 3.11Å; K80-E84 PolarHBondContact O-N 3.15Å; L81-E84 PolarHBondContact O-N 2.91Å; L81-E84 VanDerWaalsContact O-N 3.15Å; E84-I86 PolarHBondContact O-N 3.07Å; E84-E87 PolarHBondContact O-N 3.39Å; E84-H88 WeakPolarHBondContact O-CB 3.47Å; E84-H88 PolarHBondContact O-CD2 3.45Å; E84-H88 PolarHBondContact O-N 2.9Å
85F83Confident84.4Confident2 Ų257.2 Ų57.21%0.00928%0.277CS..Hα-helixtrans-65-36.5174.1-86.1-116.5000113.2A48 T54 L81 K83 D89 K90 L91 H95A48-F85 HydrophobicContact CB-CD2 4.44Å; A48-F85 HydrophobicContact CB-CE2 3.39Å; A48-F85 HydrophobicContact CB-CZ 3.54Å; T54-F85 HydrophobicContact CG2-CD1 4.32Å; T54-F85 HydrophobicContact CG2-CE1 3.16Å; T54-F85 HydrophobicContact CG2-CE2 4.24Å; T54-F85 HydrophobicContact CG2-CZ 3.13Å; L81-F85 WeakPolarHBondContact O-CD2 3.4Å; L81-F85 PolarHBondContact O-N 3.33Å; K83-F85 PolarHBondContact O-N 3.42Å; F85-D89 PolarHBondContact O-N 3.37Å; F85-K90 HydrophobicContact CD1-CB 4.19Å; F85-K90 WeakPolarHBondContact CD1-O 3.5Å; F85-K90 PolarHBondContact O-N 2.78Å; F85-L91 HydrophobicContact CB-CB 4.45Å; F85-L91 HydrophobicContact CB-CD1 4.13Å; F85-L91 PolarHBondContact O-N 3.46Å; F85-H95 HydrophobicContact CD1-CB 4.47Å; F85-H95 AromaticContact CD1-CE1 3.86Å; F85-H95 AromaticContact CD1-CG 3.97Å; F85-H95 AromaticContact CD1-ND1 3.49Å; F85-H95 WeakPolarHBondContact CD1-ND1 3.43Å; F85-H95 AromaticContact CD2-CE1 3.82Å; F85-H95 HydrophobicContact CE1-CB 4.39Å; F85-H95 AromaticContact CE1-CE1 3.84Å; F85-H95 AromaticContact CE1-CG 3.99Å; F85-H95 AromaticContact CE1-ND1 3.23Å; F85-H95 WeakPolarHBondContact CE1-ND1 3.41Å; F85-H95 AromaticContact CE2-CE1 3.77Å; F85-H95 AromaticContact CE2-ND1 3.94Å; F85-H95 AromaticContact CG-CE1 3.81Å; F85-H95 AromaticContact CG-ND1 3.93Å; F85-H95 AromaticContact CZ-CE1 3.76Å; F85-H95 AromaticContact CZ-ND1 3.44Å; F85-H95 WeakPolarHBondContact CZ-ND1 3.41Å
86I86.4Confident84.7Confident61 Ų6159.5 Ų59.531%0.31329%0.285SS..Hα-helixtrans-66.6-50.4173.6-69.9162.7000110.1S82 K83 E84 H88 D89 L91 E129 V131S82-I86 WeakPolarHBondContact O-CD1 3.43Å; S82-I86 VanDerWaalsContact O-CG1 3.26Å; S82-I86 WeakPolarHBondContact O-CG1 3.18Å; S82-I86 PolarHBondContact O-N 3.1Å; S82-I86 VanDerWaalsContact O-N 3.08Å; K83-I86 WeakPolarHBondContact O-CB 3.44Å; K83-I86 PolarHBondContact O-N 3.38Å; E84-I86 PolarHBondContact O-N 3.07Å; I86-H88 PolarHBondContact O-N 3Å; I86-D89 PolarHBondContact O-N 3.04Å; I86-L91 HydrophobicContact CD1-CD2 4.26Å; I86-L91 HydrophobicContact CG1-CB 4.4Å; I86-L91 HydrophobicContact CG1-CD2 3.65Å; I86-L91 HydrophobicContact CG1-CG 4.43Å; I86-E129 HydrophobicContact CD1-CB 4.2Å; I86-E129 WeakPolarHBondContact CD1-O 3.35Å; I86-V131 HydrophobicContact CD1-CG2 3.75Å
87E86.2Confident85.1Confident139 Ų13959.2 Ų59.265%0.6528%0.284SS*.Hα-helixtrans-60.3-29.7-176.6-73.3173.5-170.500112.5K83 E84K83-E87 WeakPolarHBondContact O-CG 3.33Å; K83-E87 PolarHBondContact O-N 3.22Å; E84-E87 PolarHBondContact O-N 3.39Å
88H82.7Confident85.6Confident99 Ų9959.6 Ų59.646%0.45829%0.286SS..THydrogen-bonded Turntrans-98.37.9177.8-73.6-83.7000114.6L49 E84 I86 K90L49-H88 WeakPolarHBondContact CD1-NE2 3.41Å; L49-H88 HydrophobicContact CD2-CB 3.55Å; L49-H88 WeakPolarHBondContact CD2-CD2 3.37Å; E84-H88 WeakPolarHBondContact O-CB 3.47Å; E84-H88 PolarHBondContact O-CD2 3.45Å; E84-H88 PolarHBondContact O-N 2.9Å; I86-H88 PolarHBondContact O-N 3Å; H88-K90 HydrophobicContact CB-CD 4.5Å; H88-K90 HydrophobicContact CB-CG 4.41Å; H88-K90 PolarHBondContact O-N 2.89Å
89D82.7Confident85.9Confident155 Ų15559.6 Ų59.683%0.82929%0.286SS*.THydrogen-bonded Turntrans53.837.6-178.3-160.433000113.9F85 I86F85-D89 PolarHBondContact O-N 3.37Å; I86-D89 PolarHBondContact O-N 3.04Å
90K82.8Confident86.2Confident78 Ų7859.4 Ų59.434%0.33929%0.285SS..  trans-110.28.5-179.6-72.1-173.7173.7-165.20113.1L49 F85 H88 T92L49-K90 VanDerWaalsContact C-NZ 3.29Å; L49-K90 HydrophobicContact CD2-CD 4.32Å; L49-K90 PolarHBondContact O-NZ 3.13Å; F85-K90 HydrophobicContact CD1-CB 4.19Å; F85-K90 WeakPolarHBondContact CD1-O 3.5Å; F85-K90 PolarHBondContact O-N 2.78Å; H88-K90 HydrophobicContact CB-CD 4.5Å; H88-K90 HydrophobicContact CB-CG 4.41Å; H88-K90 PolarHBondContact O-N 2.89Å; K90-T92 PolarHBondContact O-N 3.31Å
91L85.3Confident86.6Confident35 Ų3557.1 Ų57.118%0.18329%0.285CS..  trans-72.889.5-176.6-170.469.9000111.4F85 I86 H95 R96F85-L91 HydrophobicContact CB-CB 4.45Å; F85-L91 HydrophobicContact CB-CD1 4.13Å; F85-L91 PolarHBondContact O-N 3.46Å; I86-L91 HydrophobicContact CD1-CD2 4.26Å; I86-L91 HydrophobicContact CG1-CB 4.4Å; I86-L91 HydrophobicContact CG1-CD2 3.65Å; I86-L91 HydrophobicContact CG1-CG 4.43Å; L91-H95 HydrophobicContact CD1-CB 4.44Å; L91-H95 WeakPolarHBondContact CD1-CD2 3.44Å; L91-R96 HydrophobicContact CG-CG 4.47Å
92T86.8Confident87.2Confident69 Ų6957.3 Ų57.342%0.42329%0.286SS..  trans-82.7163.1179.464.20000113K90 E94 H95 R96K90-T92 PolarHBondContact O-N 3.31Å; T92-E94 VanDerWaalsContact C-N 3.29Å; T92-E94 PolarHBondContact O-N 3.22Å; T92-H95 WeakPolarHBondContact O-CB 3.46Å; T92-H95 PolarHBondContact O-N 2.91Å; T92-H95 PolarHBondContact OG1-N 2.91Å; T92-R96 WeakPolarHBondContact O-CG 3.38Å; T92-R96 PolarHBondContact O-N 3.02Å
93Q88Confident87.5Confident111 Ų11157.3 Ų57.352%0.51929%0.286SS..Hα-helixtrans-58.5-40.9172.3-176.260.717.500112.1H95 R96 E97Q93-H95 VanDerWaalsContact C-N 3.31Å; Q93-H95 PolarHBondContact O-N 2.97Å; Q93-R96 WeakPolarHBondContact O-CB 3.49Å; Q93-R96 PolarHBondContact O-N 3.33Å; Q93-R96 VanDerWaalsContact O-N 3.1Å; Q93-E97 PolarHBondContact O-N 3.44Å
94E86Confident87.9Confident98 Ų9858.5 Ų58.546%0.45829%0.288SS..Hα-helixtrans-61.5-39.7178-160.6-166.8167.900111.7C55 T92 R96 E97 V98C55-E94 HydrophobicContact CB-CB 4.43Å; C55-E94 VanDerWaalsContact CB-CD 3.49Å; C55-E94 HydrophobicContact CB-CG 4.19Å; C55-E94 VanDerWaalsContact CB-OE2 3.26Å; C55-E94 WeakPolarHBondContact CB-OE2 3.3Å; C55-E94 WeakPolarHBondContact SG-CG 3.41Å; T92-E94 VanDerWaalsContact C-N 3.29Å; T92-E94 PolarHBondContact O-N 3.22Å; E94-R96 VanDerWaalsContact C-N 3.33Å; E94-R96 PolarHBondContact O-N 3.24Å; E94-E97 PolarHBondContact O-N 3.26Å; E94-V98 WeakPolarHBondContact O-CG2 3.47Å; E94-V98 PolarHBondContact O-N 2.86Å
95H86.3Confident88.3Confident0 Ų059.4 Ų59.40%029%0.293CS..Hα-helixtrans-61-43.7174.4-176.396.9000111.3F58 S82 F85 L91 T92 Q93 E97 V98 V99F58-H95 AromaticContact CD1-CE1 3.76Å; F58-H95 AromaticContact CD1-ND1 3.51Å; F58-H95 AromaticContact CD2-CE1 3.84Å; F58-H95 AromaticContact CE1-CE1 3.44Å; F58-H95 VanDerWaalsContact CE1-CE1 3.44Å; F58-H95 WeakPolarHBondContact CE1-CE1 3.4Å; F58-H95 AromaticContact CE1-ND1 3.55Å; F58-H95 AromaticContact CE1-NE2 3.91Å; F58-H95 AromaticContact CE2-CE1 3.53Å; F58-H95 AromaticContact CG-CE1 3.96Å; F58-H95 AromaticContact CG-ND1 3.85Å; F58-H95 AromaticContact CZ-CE1 3.33Å; F58-H95 WeakPolarHBondContact CZ-CE1 3.06Å; F58-H95 AromaticContact CZ-ND1 3.93Å; F58-H95 AromaticContact CZ-NE2 3.74Å; S82-H95 PolarHBondContact OG-NE2 3.44Å; F85-H95 HydrophobicContact CD1-CB 4.47Å; F85-H95 AromaticContact CD1-CE1 3.86Å; F85-H95 AromaticContact CD1-CG 3.97Å; F85-H95 AromaticContact CD1-ND1 3.49Å; F85-H95 WeakPolarHBondContact CD1-ND1 3.43Å; F85-H95 AromaticContact CD2-CE1 3.82Å; F85-H95 HydrophobicContact CE1-CB 4.39Å; F85-H95 AromaticContact CE1-CE1 3.84Å; F85-H95 AromaticContact CE1-CG 3.99Å; F85-H95 AromaticContact CE1-ND1 3.23Å; F85-H95 WeakPolarHBondContact CE1-ND1 3.41Å; F85-H95 AromaticContact CE2-CE1 3.77Å; F85-H95 AromaticContact CE2-ND1 3.94Å; F85-H95 AromaticContact CG-CE1 3.81Å; F85-H95 AromaticContact CG-ND1 3.93Å; F85-H95 AromaticContact CZ-CE1 3.76Å; F85-H95 AromaticContact CZ-ND1 3.44Å; F85-H95 WeakPolarHBondContact CZ-ND1 3.41Å; L91-H95 HydrophobicContact CD1-CB 4.44Å; L91-H95 WeakPolarHBondContact CD1-CD2 3.44Å; T92-H95 WeakPolarHBondContact O-CB 3.46Å; T92-H95 PolarHBondContact O-N 2.91Å; T92-H95 PolarHBondContact OG1-N 2.91Å; Q93-H95 VanDerWaalsContact C-N 3.31Å; Q93-H95 PolarHBondContact O-N 2.97Å; H95-E97 VanDerWaalsContact C-N 3.33Å; H95-E97 PolarHBondContact O-N 3.34Å; H95-V98 PolarHBondContact O-N 3.42Å; H95-V99 WeakPolarHBondContact O-CG2 3.35Å; H95-V99 PolarHBondContact O-N 3.31Å
96R90.9Very high88.6Confident57 Ų5759.8 Ų59.822%0.21530%0.295CS..Hα-helixtrans-60.8-42.5178.5-62.6169.6176-81.73.1111.5L91 T92 Q93 E94 V98 V99 L100 R130 V131L91-R96 HydrophobicContact CG-CG 4.47Å; T92-R96 WeakPolarHBondContact O-CG 3.38Å; T92-R96 PolarHBondContact O-N 3.02Å; Q93-R96 WeakPolarHBondContact O-CB 3.49Å; Q93-R96 PolarHBondContact O-N 3.33Å; Q93-R96 VanDerWaalsContact O-N 3.1Å; E94-R96 VanDerWaalsContact C-N 3.33Å; E94-R96 PolarHBondContact O-N 3.24Å; R96-V98 VanDerWaalsContact C-N 3.35Å; R96-V98 PolarHBondContact O-N 3.33Å; R96-V99 PolarHBondContact O-N 2.83Å; R96-L100 VanDerWaalsContact O-CB 3.25Å; R96-L100 WeakPolarHBondContact O-CB 3.26Å; R96-L100 PolarHBondContact O-N 3.27Å; R96-R130 PolarHBondContact NH1-O 3.43Å; R96-R130 PolarHBondContact NH2-O 3.39Å; R96-R130 VanDerWaalsContact NH2-O 3.15Å; R96-V131 WeakPolarHBondContact CG-O 3.4Å; R96-V131 VanDerWaalsContact NH1-C 3.33Å; R96-V131 PolarHBondContact NH1-O 3.39Å
97E91.4Very high89Confident108 Ų10857.7 Ų57.751%0.50528%0.284SS..Hα-helixtrans-62.5-40.9176.3-71.9175.4-170.600112.3Q93 E94 H95 L100 A101Q93-E97 PolarHBondContact O-N 3.44Å; E94-E97 PolarHBondContact O-N 3.26Å; H95-E97 VanDerWaalsContact C-N 3.33Å; H95-E97 PolarHBondContact O-N 3.34Å; E97-L100 PolarHBondContact O-N 3.19Å; E97-A101 WeakPolarHBondContact O-CB 3.42Å; E97-A101 PolarHBondContact O-N 3.05Å
98V89.3Confident89.2Confident16 Ų1659.8 Ų59.810%0.09729%0.286CS..Hα-helixtrans-64.9-44176.4174.50000111.1F58 K59 M62 E94 H95 R96 A101 F102F58-V98 HydrophobicContact CD1-CB 3.89Å; F58-V98 HydrophobicContact CD1-CG1 3.46Å; F58-V98 VanDerWaalsContact CD1-CG1 3.46Å; F58-V98 HydrophobicContact CE1-CB 3.8Å; F58-V98 HydrophobicContact CE1-CG1 3.39Å; F58-V98 HydrophobicContact CZ-CG1 4.49Å; K59-V98 HydrophobicContact CB-CG1 4.32Å; K59-V98 HydrophobicContact CB-CG2 4.11Å; K59-V98 HydrophobicContact CD-CG2 4.39Å; K59-V98 HydrophobicContact CG-CG2 4.22Å; M62-V98 HydrophobicContact CB-CG1 4.04Å; M62-V98 HydrophobicContact CG-CG1 3.56Å; E94-V98 WeakPolarHBondContact O-CG2 3.47Å; E94-V98 PolarHBondContact O-N 2.86Å; H95-V98 PolarHBondContact O-N 3.42Å; R96-V98 VanDerWaalsContact C-N 3.35Å; R96-V98 PolarHBondContact O-N 3.33Å; V98-A101 PolarHBondContact O-N 2.98Å; V98-F102 PolarHBondContact O-N 3.08Å; V98-F102 VanDerWaalsContact O-N 3.13Å
99V91.3Very high89.5Confident0 Ų058.8 Ų58.80%029%0.287CS..Hα-helixtrans-63.4-43.4175.4176.70000111F58 V78 H95 R96 A101 F102 V103 L126 V131 L132F58-V99 HydrophobicContact CE1-CG2 3.79Å; F58-V99 HydrophobicContact CZ-CG2 3.7Å; V78-V99 HydrophobicContact CG1-CG1 3.97Å; V78-V99 HydrophobicContact CG1-CG2 4.33Å; H95-V99 WeakPolarHBondContact O-CG2 3.35Å; H95-V99 PolarHBondContact O-N 3.31Å; R96-V99 PolarHBondContact O-N 2.83Å; V99-A101 PolarHBondContact O-N 3.14Å; V99-F102 PolarHBondContact O-N 2.86Å; V99-V103 HydrophobicContact CG1-CG2 4.45Å; V99-V103 WeakPolarHBondContact O-CG2 3.44Å; V99-V103 PolarHBondContact O-N 3.19Å; V99-L126 HydrophobicContact CG1-CD1 3.74Å; V99-L126 HydrophobicContact CG1-CD2 4.33Å; V99-V131 HydrophobicContact CB-CG1 4.28Å; V99-V131 HydrophobicContact CG1-CG1 3.98Å; V99-V131 HydrophobicContact CG2-CG1 4.2Å; V99-L132 HydrophobicContact CG1-CD2 4.14Å
100L93.1Very high89.8Confident20 Ų2051.7 Ų51.711%0.10525%0.249CC..Hα-helixtrans-59.3-46.8177.8179.467.6000111.3R96 E97 F102 V103 R104 L132 D136 I137R96-L100 VanDerWaalsContact O-CB 3.25Å; R96-L100 WeakPolarHBondContact O-CB 3.26Å; R96-L100 PolarHBondContact O-N 3.27Å; E97-L100 PolarHBondContact O-N 3.19Å; L100-F102 VanDerWaalsContact C-N 3.35Å; L100-F102 PolarHBondContact O-N 3.02Å; L100-V103 PolarHBondContact O-N 3.3Å; L100-R104 WeakPolarHBondContact O-CG 3.39Å; L100-R104 PolarHBondContact O-N 3.42Å; L100-L132 HydrophobicContact CB-CD2 3.93Å; L100-L132 HydrophobicContact CD1-CD2 4.05Å; L100-D136 HydrophobicContact CD1-CB 4.34Å; L100-D136 HydrophobicContact CD2-CB 4.15Å; L100-I137 HydrophobicContact CD1-CB 4.15Å; L100-I137 HydrophobicContact CD1-CD1 3.48Å; L100-I137 VanDerWaalsContact CD1-CD1 3.48Å; L100-I137 HydrophobicContact CD1-CG1 4.32Å
101A91.6Very high90Very high52 Ų5255.5 Ų55.543%0.4327%0.269SS..Hα-helixtrans-59.5-44.7177.600000112E97 V98 V99 R104 H105E97-A101 WeakPolarHBondContact O-CB 3.42Å; E97-A101 PolarHBondContact O-N 3.05Å; V98-A101 PolarHBondContact O-N 2.98Å; V99-A101 PolarHBondContact O-N 3.14Å; A101-R104 PolarHBondContact O-N 3.08Å; A101-H105 WeakPolarHBondContact O-CB 3.1Å; A101-H105 PolarHBondContact O-N 3.05Å
102F91.3Very high90.1Very high4 Ų456.1 Ų56.12%0.01828%0.283CS..Hα-helixtrans-63.2-42.5176.5173.1-98.2000112.6M62 C65 E66 L75 V78 V98 V99 L100 H105 T106 L122M62-F102 HydrophobicContact CE-CB 3.29Å; M62-F102 HydrophobicContact CE-CD1 3.55Å; M62-F102 HydrophobicContact CE-CD2 3.1Å; M62-F102 HydrophobicContact CE-CE1 4.1Å; M62-F102 HydrophobicContact CE-CE2 3.7Å; M62-F102 HydrophobicContact CE-CG 2.99Å; M62-F102 HydrophobicContact CE-CZ 4.16Å; C65-F102 HydrophobicContact CB-CE2 4.32Å; E66-F102 HydrophobicContact CG-CD2 3.92Å; E66-F102 HydrophobicContact CG-CE2 4.24Å; L75-F102 HydrophobicContact CD2-CE1 3.85Å; L75-F102 HydrophobicContact CD2-CZ 4.03Å; V78-F102 HydrophobicContact CB-CE1 4.42Å; V78-F102 HydrophobicContact CG1-CD1 4.46Å; V78-F102 HydrophobicContact CG2-CD1 3.81Å; V78-F102 HydrophobicContact CG2-CE1 3.65Å; V78-F102 HydrophobicContact CG2-CG 4.39Å; V78-F102 HydrophobicContact CG2-CZ 4.08Å; V98-F102 PolarHBondContact O-N 3.08Å; V98-F102 VanDerWaalsContact O-N 3.13Å; V99-F102 PolarHBondContact O-N 2.86Å; L100-F102 VanDerWaalsContact C-N 3.35Å; L100-F102 PolarHBondContact O-N 3.02Å; F102-H105 WeakPolarHBondContact O-CB 3.37Å; F102-H105 PolarHBondContact O-N 3.26Å; F102-T106 PolarHBondContact O-N 3.29Å; F102-T106 PolarHBondContact O-OG1 3.34Å; F102-L122 HydrophobicContact CE1-CD2 4.19Å
103V93.1Very high90.2Very high1 Ų159 Ų591%0.00630%0.296CS..Hα-helixtrans-63.2-45.4177.2166.30000110.8V99 L100 H105 T106 I107 L122 V123 L126 L132 I137V99-V103 HydrophobicContact CG1-CG2 4.45Å; V99-V103 WeakPolarHBondContact O-CG2 3.44Å; V99-V103 PolarHBondContact O-N 3.19Å; L100-V103 PolarHBondContact O-N 3.3Å; V103-H105 VanDerWaalsContact C-N 3.31Å; V103-H105 PolarHBondContact O-N 3.49Å; V103-T106 PolarHBondContact O-N 3.44Å; V103-I107 HydrophobicContact CG1-CD1 3.78Å; V103-I107 HydrophobicContact CG1-CG1 4.35Å; V103-I107 WeakPolarHBondContact O-CG1 3.37Å; V103-I107 PolarHBondContact O-N 3.26Å; V103-L122 HydrophobicContact CG2-CD2 4.38Å; V103-V123 HydrophobicContact CG1-CG2 3.57Å; V103-L126 HydrophobicContact CG2-CD1 3.69Å; V103-L132 HydrophobicContact CG1-CD1 4.44Å; V103-L132 HydrophobicContact CG2-CD1 4.14Å; V103-I137 HydrophobicContact CB-CD1 4.47Å; V103-I137 HydrophobicContact CG1-CD1 3.72Å; V103-I137 HydrophobicContact CG1-CG1 4.31Å
104R94.2Very high90.3Very high86 Ų8662.4 Ų62.433%0.32530%0.304SS..Hα-helixtrans-60.2-40.7175-74-179.4172.4155.23112.3L100 A101 R108 D136 I137 D140L100-R104 WeakPolarHBondContact O-CG 3.39Å; L100-R104 PolarHBondContact O-N 3.42Å; A101-R104 PolarHBondContact O-N 3.08Å; R104-R108 WeakPolarHBondContact O-CG 3.25Å; R104-R108 PolarHBondContact O-N 3.3Å; R104-R108 PolarHBondContact O-NE 3.04Å; R104-D136 PolarHBondContact NH2-O 3.01Å; R104-I137 HydrophobicContact CG-CD1 3.96Å; R104-D140 WeakPolarHBondContact CG-OD2 3.43Å; R104-D140 IonicContact CZ-OD2 3.76Å; R104-D140 IonicContact NE-OD2 2.85Å; R104-D140 PolarHBondContact NE-OD2 3.47Å; R104-D140 IonicContact NH2-OD2 3.9Å
105H91.2Very high90.5Very high57 Ų5759.3 Ų59.326%0.26429%0.292SS..Hα-helixtrans-59.3-52173.2177.983.9000110.7A101 F102 V103 I107 R108 T109A101-H105 WeakPolarHBondContact O-CB 3.1Å; A101-H105 PolarHBondContact O-N 3.05Å; F102-H105 WeakPolarHBondContact O-CB 3.37Å; F102-H105 PolarHBondContact O-N 3.26Å; V103-H105 VanDerWaalsContact C-N 3.31Å; V103-H105 PolarHBondContact O-N 3.49Å; H105-I107 PolarHBondContact O-N 3.39Å; H105-R108 PolarHBondContact O-N 2.9Å; H105-R108 VanDerWaalsContact O-N 3.11Å; H105-T109 PolarHBondContact O-N 3.41Å; H105-T109 PolarHBondContact O-OG1 2.86Å
106T90.8Very high90.9Very high9 Ų959.3 Ų59.36%0.05529%0.292CS..Hα-helixtrans-64.8-38.4-176-46.70000112.5T71 L75 F102 V103 R108 T109 C110 V119T71-T106 HydrophobicContact CG2-CG2 4.45Å; L75-T106 HydrophobicContact CD2-CG2 3.92Å; F102-T106 PolarHBondContact O-N 3.29Å; F102-T106 PolarHBondContact O-OG1 3.34Å; V103-T106 PolarHBondContact O-N 3.44Å; T106-R108 VanDerWaalsContact C-N 3.29Å; T106-R108 PolarHBondContact O-N 3.42Å; T106-T109 PolarHBondContact O-N 3.11Å; T106-C110 WeakPolarHBondContact O-CB 3.42Å; T106-C110 PolarHBondContact O-N 3.19Å; T106-C110 PolarHBondContact O-SG 3.28Å; T106-C110 VanDerWaalsContact O-SG 3.39Å; T106-V119 HydrophobicContact CG2-CG2 3.43Å; T106-V119 VanDerWaalsContact CG2-CG2 3.43Å
107I93.4Very high91Very high17 Ų1763 Ų639%0.08731%0.305CS..Hα-helixtrans-59.6-41.9174.4-74.6170.8000110.9V103 H105 C110 V119 V123 I137 D140 V141 F144V103-I107 HydrophobicContact CG1-CD1 3.78Å; V103-I107 HydrophobicContact CG1-CG1 4.35Å; V103-I107 WeakPolarHBondContact O-CG1 3.37Å; V103-I107 PolarHBondContact O-N 3.26Å; H105-I107 PolarHBondContact O-N 3.39Å; I107-C110 PolarHBondContact O-SG 2.94Å; I107-V119 HydrophobicContact CG1-CG1 3.82Å; I107-V123 HydrophobicContact CD1-CG2 4.37Å; I107-I137 HydrophobicContact CD1-CD1 4.48Å; I107-D140 HydrophobicContact CD1-CB 4.31Å; I107-V141 HydrophobicContact CD1-CG2 3.69Å; I107-F144 HydrophobicContact CG1-CG 4.49Å; I107-F144 HydrophobicContact CG2-CB 3.73Å; I107-F144 HydrophobicContact CG2-CD2 3.89Å; I107-F144 HydrophobicContact CG2-CG 3.86Å
108R91.2Very high91.1Very high184 Ų18460 Ų6069%0.69429%0.293SS*.Hα-helixtrans-72.3-34.6-178.5-72.6-175.9-65-164.52.6113.3R104 H105 T106R104-R108 WeakPolarHBondContact O-CG 3.25Å; R104-R108 PolarHBondContact O-N 3.3Å; R104-R108 PolarHBondContact O-NE 3.04Å; H105-R108 PolarHBondContact O-N 2.9Å; H105-R108 VanDerWaalsContact O-N 3.11Å; T106-R108 VanDerWaalsContact C-N 3.29Å; T106-R108 PolarHBondContact O-N 3.42Å
109T89.3Confident91.3Very high77 Ų7759.3 Ų59.347%0.47229%0.288SS..Hα-helixtrans-99.3-8.3-174.158.20000113.9H105 T106 E111H105-T109 PolarHBondContact O-N 3.41Å; H105-T109 PolarHBondContact O-OG1 2.86Å; T106-T109 PolarHBondContact O-N 3.11Å; T109-E111 PolarHBondContact O-N 3.41Å
110C89.4Confident91.5Very high6 Ų659.3 Ų59.34%0.04129%0.288CS..  trans-70.3126.9-177.866.50000112.7T106 I107 T115 V119 F144 Y148T106-C110 WeakPolarHBondContact O-CB 3.42Å; T106-C110 PolarHBondContact O-N 3.19Å; T106-C110 PolarHBondContact O-SG 3.28Å; T106-C110 VanDerWaalsContact O-SG 3.39Å; I107-C110 PolarHBondContact O-SG 2.94Å; C110-T115 HydrophobicContact CB-CG2 3.78Å; C110-V119 HydrophobicContact CB-CG2 3.95Å; C110-F144 WeakPolarHBondContact SG-CE2 3.46Å; C110-Y148 PolarHBondContact O-OH 2.94Å
111E86.6Confident91.6Very high159 Ų15962.1 Ų62.174%0.74330%0.302SS*.  trans-131.3147.8175.3-63.3-171.8163.500110.4T109 T115T109-E111 PolarHBondContact O-N 3.41Å; E111-T115 WeakPolarHBondContact O-CB 3.36Å; E111-T115 PolarHBondContact O-OG1 3.17Å
112G87.2Confident91.8Very high47 Ų4760.1 Ų60.149%0.48528%0.284SS..SBendtrans83.6143.4-178.400000114.3R114 T115 V116G112-R114 VanDerWaalsContact C-N 3.26Å; G112-R114 PolarHBondContact O-N 2.83Å; G112-R114 VanDerWaalsContact O-N 3.17Å; G112-T115 PolarHBondContact O-N 3.01Å; G112-V116 WeakPolarHBondContact O-CG2 3.2Å; G112-V116 PolarHBondContact O-N 2.95Å
113D88.4Confident92Very high130 Ų13060 Ų6070%0.69528%0.284SS*.Hα-helixtrans-56.4-38.8-171.3-63.2-28.4000113.6R117D113-R117 VanDerWaalsContact O-CB 3.27Å; D113-R117 WeakPolarHBondContact O-CB 3.41Å; D113-R117 PolarHBondContact O-N 3.01Å
114R90.4Very high92.1Very high183 Ų18362.1 Ų62.169%0.69129%0.293SS*.Hα-helixtrans-62.4-47177.5-177.3-179.3176.2-149.40.8111.1G112 R117 L118G112-R114 VanDerWaalsContact C-N 3.26Å; G112-R114 PolarHBondContact O-N 2.83Å; G112-R114 VanDerWaalsContact O-N 3.17Å; R114-R117 PolarHBondContact O-N 3.17Å; R114-L118 HydrophobicContact CG-CD1 4.18Å; R114-L118 VanDerWaalsContact O-CG 3.24Å; R114-L118 WeakPolarHBondContact O-CG 3.33Å; R114-L118 PolarHBondContact O-N 3.36Å; R114-L118 VanDerWaalsContact O-N 3.11Å
115T90.2Very high92.1Very high32 Ų3262.4 Ų62.420%0.19630%0.297CS..Hα-helixtrans-67.9-46.4-177.7-45.40000110.4T71 C110 E111 G112 R117 L118 V119T71-T115 HydrophobicContact CG2-CG2 3.85Å; C110-T115 HydrophobicContact CB-CG2 3.78Å; E111-T115 WeakPolarHBondContact O-CB 3.36Å; E111-T115 PolarHBondContact O-OG1 3.17Å; G112-T115 PolarHBondContact O-N 3.01Å; T115-R117 VanDerWaalsContact C-N 3.3Å; T115-R117 PolarHBondContact O-N 2.9Å; T115-L118 PolarHBondContact O-N 3.08Å; T115-L118 VanDerWaalsContact O-N 3.08Å; T115-V119 HydrophobicContact CG2-CG2 4.47Å; T115-V119 WeakPolarHBondContact O-CG2 3.27Å; T115-V119 PolarHBondContact O-N 3.39Å
116V94.1Very high92.2Very high0 Ų059.7 Ų59.70%028%0.284CS..Hα-helixtrans-54.1-47.9175.6170.20000111G112 L118 V119 A120 F144 Y148 N151G112-V116 WeakPolarHBondContact O-CG2 3.2Å; G112-V116 PolarHBondContact O-N 2.95Å; V116-L118 VanDerWaalsContact C-N 3.34Å; V116-L118 PolarHBondContact O-N 2.88Å; V116-V119 PolarHBondContact O-N 2.64Å; V116-A120 WeakPolarHBondContact O-CB 3.46Å; V116-A120 PolarHBondContact O-N 3.3Å; V116-F144 HydrophobicContact CG1-CE2 4.23Å; V116-F144 HydrophobicContact CG1-CZ 3.93Å; V116-Y148 HydrophobicContact CB-CG 4.5Å; V116-Y148 HydrophobicContact CG1-CD1 4.04Å; V116-Y148 HydrophobicContact CG1-CD2 3.64Å; V116-Y148 HydrophobicContact CG1-CE2 4.2Å; V116-Y148 HydrophobicContact CG1-CG 3.54Å; V116-Y148 HydrophobicContact CG2-CD1 3.99Å; V116-Y148 HydrophobicContact CG2-CD2 4.01Å; V116-Y148 HydrophobicContact CG2-CE1 3.69Å; V116-Y148 HydrophobicContact CG2-CE2 3.71Å; V116-Y148 HydrophobicContact CG2-CG 4.14Å; V116-N151 HydrophobicContact CG1-CB 4.43Å
117R94.3Very high92.4Very high134 Ų13459.7 Ų59.751%0.50628%0.283SS..Hα-helixtrans-56.7-47.4176.2-177.2-174.6160173.5-5.5111.7D113 R114 T115 A120 M121 E153D113-R117 VanDerWaalsContact O-CB 3.27Å; D113-R117 WeakPolarHBondContact O-CB 3.41Å; D113-R117 PolarHBondContact O-N 3.01Å; R114-R117 PolarHBondContact O-N 3.17Å; T115-R117 VanDerWaalsContact C-N 3.3Å; T115-R117 PolarHBondContact O-N 2.9Å; R117-A120 PolarHBondContact O-N 2.89Å; R117-M121 HydrophobicContact CG-SD 4.26Å; R117-M121 WeakPolarHBondContact O-CG 3.41Å; R117-M121 PolarHBondContact O-N 3.2Å; R117-E153 HydrophobicContact CG-CB 4.27Å; R117-E153 HydrophobicContact CG-CG 3.63Å
118L93Very high92.4Very high46 Ų4667 Ų6724%0.24131%0.31CS..Hα-helixtrans-67-39.2-178-68167.5000112.4V72 L75 R114 T115 V116 M121 L122V72-L118 HydrophobicContact CB-CD1 4.49Å; V72-L118 HydrophobicContact CG2-CD1 3.53Å; L75-L118 HydrophobicContact CD1-CB 3.61Å; R114-L118 HydrophobicContact CG-CD1 4.18Å; R114-L118 VanDerWaalsContact O-CG 3.24Å; R114-L118 WeakPolarHBondContact O-CG 3.33Å; R114-L118 PolarHBondContact O-N 3.36Å; R114-L118 VanDerWaalsContact O-N 3.11Å; T115-L118 PolarHBondContact O-N 3.08Å; T115-L118 VanDerWaalsContact O-N 3.08Å; V116-L118 VanDerWaalsContact C-N 3.34Å; V116-L118 PolarHBondContact O-N 2.88Å; L118-M121 PolarHBondContact O-N 3.15Å; L118-L122 WeakPolarHBondContact O-CB 3.24Å; L118-L122 PolarHBondContact O-N 2.88Å
119V94.1Very high92.3Very high1 Ų161.4 Ų61.41%0.00629%0.292CS..Hα-helixtrans-63-46.3175174.60000110.3L75 T106 I107 C110 T115 V116 M121 L122 V123 F144L75-V119 HydrophobicContact CD1-CG2 4.43Å; T106-V119 HydrophobicContact CG2-CG2 3.43Å; T106-V119 VanDerWaalsContact CG2-CG2 3.43Å; I107-V119 HydrophobicContact CG1-CG1 3.82Å; C110-V119 HydrophobicContact CB-CG2 3.95Å; T115-V119 HydrophobicContact CG2-CG2 4.47Å; T115-V119 WeakPolarHBondContact O-CG2 3.27Å; T115-V119 PolarHBondContact O-N 3.39Å; V116-V119 PolarHBondContact O-N 2.64Å; V119-M121 VanDerWaalsContact C-N 3.33Å; V119-M121 PolarHBondContact O-N 3.48Å; V119-L122 PolarHBondContact O-N 3.11Å; V119-V123 HydrophobicContact CG1-CG2 4.36Å; V119-V123 WeakPolarHBondContact O-CG2 3.24Å; V119-V123 PolarHBondContact O-N 2.97Å; V119-F144 HydrophobicContact CB-CZ 4.22Å; V119-F144 HydrophobicContact CG1-CE1 4.25Å; V119-F144 HydrophobicContact CG1-CZ 3.99Å
120A95.6Very high92.4Very high0 Ų067 Ų670%030%0.304CS..Hα-helixtrans-58.9-44.2177.200000112.1V116 R117 K124 F144 E153 L157V116-A120 WeakPolarHBondContact O-CB 3.46Å; V116-A120 PolarHBondContact O-N 3.3Å; R117-A120 PolarHBondContact O-N 2.89Å; A120-K124 WeakPolarHBondContact O-CB 3.38Å; A120-K124 PolarHBondContact O-N 3.34Å; A120-F144 HydrophobicContact CB-CE1 4.31Å; A120-E153 HydrophobicContact CB-CB 3.82Å; A120-L157 HydrophobicContact CB-CD2 4.24Å
121M94.7Very high92.5Very high79 Ų7966.8 Ų66.839%0.38930%0.303SS..Hα-helixtrans-63.4-41.4175.3-70.4177.468.900112.6R117 L118 V119 K125 E153R117-M121 HydrophobicContact CG-SD 4.26Å; R117-M121 WeakPolarHBondContact O-CG 3.41Å; R117-M121 PolarHBondContact O-N 3.2Å; L118-M121 PolarHBondContact O-N 3.15Å; V119-M121 VanDerWaalsContact C-N 3.33Å; V119-M121 PolarHBondContact O-N 3.48Å; M121-K125 WeakPolarHBondContact O-CB 3.47Å; M121-K125 PolarHBondContact O-N 3.41Å; M121-K125 VanDerWaalsContact O-N 3.08Å; M121-E153 HydrophobicContact CG-CB 4.33Å; M121-E153 HydrophobicContact CG-CG 3.87Å; M121-E153 HydrophobicContact SD-CG 4.34Å
122L94.9Very high92.9Very high10 Ų1059.6 Ų59.65%0.05227%0.269CS..Hα-helixtrans-60.8-54.3177.1175.667.7000110.6L75 L79 F102 V103 L118 V119 K124 K125 L126L75-L122 HydrophobicContact CB-CD1 4.39Å; L75-L122 HydrophobicContact CB-CD2 3.96Å; L75-L122 HydrophobicContact CD2-CD2 3.37Å; L75-L122 HydrophobicContact CG-CD2 4.1Å; L79-L122 HydrophobicContact CB-CD1 4.04Å; F102-L122 HydrophobicContact CE1-CD2 4.19Å; V103-L122 HydrophobicContact CG2-CD2 4.38Å; L118-L122 WeakPolarHBondContact O-CB 3.24Å; L118-L122 PolarHBondContact O-N 2.88Å; V119-L122 PolarHBondContact O-N 3.11Å; L122-K124 VanDerWaalsContact C-N 3.32Å; L122-K124 PolarHBondContact O-N 3.39Å; L122-K125 PolarHBondContact O-N 2.88Å; L122-L126 HydrophobicContact CD1-CD1 3.89Å; L122-L126 HydrophobicContact CD1-CD2 4.46Å; L122-L126 HydrophobicContact CD1-CG 3.97Å; L122-L126 HydrophobicContact CD2-CD1 4.22Å; L122-L126 HydrophobicContact CG-CD1 3.78Å; L122-L126 HydrophobicContact CG-CG 4.23Å; L122-L126 WeakPolarHBondContact O-CG 3.4Å; L122-L126 PolarHBondContact O-N 2.85Å
123V96Very high93.1Very high1 Ų160.5 Ų60.51%0.00626%0.263CS..Hα-helixtrans-59.5-45.9-176.6177.40000110.5V103 I107 V119 K125 L126 L127 V141 L157V103-V123 HydrophobicContact CG1-CG2 3.57Å; I107-V123 HydrophobicContact CD1-CG2 4.37Å; V119-V123 HydrophobicContact CG1-CG2 4.36Å; V119-V123 WeakPolarHBondContact O-CG2 3.24Å; V119-V123 PolarHBondContact O-N 2.97Å; V123-K125 PolarHBondContact O-N 3.06Å; V123-L126 PolarHBondContact O-N 3.39Å; V123-L127 HydrophobicContact CG1-CD1 3.93Å; V123-L127 HydrophobicContact CG1-CG 4.43Å; V123-L127 WeakPolarHBondContact O-CG 3.46Å; V123-L127 PolarHBondContact O-N 3.08Å; V123-V141 HydrophobicContact CG1-CG2 3.82Å; V123-L157 HydrophobicContact CB-CD1 4.29Å; V123-L157 HydrophobicContact CB-CD2 3.98Å; V123-L157 HydrophobicContact CG1-CD1 3.93Å; V123-L157 HydrophobicContact CG1-CD2 4.06Å
124K94.7Very high93.4Very high47 Ų4754.8 Ų54.820%0.20423%0.233CC..Hα-helixtrans-56.5-41.3176.5-176.9176.9175.2178.10111.8A120 L122 R128 L157 S160A120-K124 WeakPolarHBondContact O-CB 3.38Å; A120-K124 PolarHBondContact O-N 3.34Å; L122-K124 VanDerWaalsContact C-N 3.32Å; L122-K124 PolarHBondContact O-N 3.39Å; K124-R128 PolarHBondContact O-N 2.68Å; K124-R128 VanDerWaalsContact O-N 3.12Å; K124-L157 HydrophobicContact CB-CD1 3.9Å; K124-S160 WeakPolarHBondContact CE-OG 3.49Å
125K94.4Very high93.5Very high92 Ų9252.2 Ų52.240%0.423%0.229SC..Hα-helixtrans-72.1-41.9-179.6-163.7164.4175.9176.20112.1L79 M121 L122 V123 L127 R128 E129L79-K125 HydrophobicContact CD1-CB 4.24Å; L79-K125 HydrophobicContact CD1-CD 3.76Å; L79-K125 HydrophobicContact CD1-CG 3.72Å; L79-K125 HydrophobicContact CD2-CD 3.54Å; L79-K125 HydrophobicContact CD2-CG 4.43Å; L79-K125 HydrophobicContact CG-CD 4.26Å; M121-K125 WeakPolarHBondContact O-CB 3.47Å; M121-K125 PolarHBondContact O-N 3.41Å; M121-K125 VanDerWaalsContact O-N 3.08Å; L122-K125 PolarHBondContact O-N 2.88Å; V123-K125 PolarHBondContact O-N 3.06Å; K125-L127 VanDerWaalsContact C-N 3.31Å; K125-L127 PolarHBondContact O-N 2.91Å; K125-R128 PolarHBondContact O-N 3.37Å; K125-E129 HydrophobicContact CG-CG 4.44Å; K125-E129 VanDerWaalsContact O-CG 3.24Å; K125-E129 WeakPolarHBondContact O-CG 3.46Å; K125-E129 PolarHBondContact O-N 3.48Å
126L94.3Very high93.7Very high0 Ų054 Ų540%024%0.237CC..Hα-helixtrans-63.8-35.1176.2-68.1174.7000112.7V78 L79 V99 V103 L122 V123 R130 V131 L132V78-L126 HydrophobicContact CG1-CD1 4.49Å; L79-L126 HydrophobicContact CD1-CD2 4.2Å; V99-L126 HydrophobicContact CG1-CD1 3.74Å; V99-L126 HydrophobicContact CG1-CD2 4.33Å; V103-L126 HydrophobicContact CG2-CD1 3.69Å; L122-L126 HydrophobicContact CD1-CD1 3.89Å; L122-L126 HydrophobicContact CD1-CD2 4.46Å; L122-L126 HydrophobicContact CD1-CG 3.97Å; L122-L126 HydrophobicContact CD2-CD1 4.22Å; L122-L126 HydrophobicContact CG-CD1 3.78Å; L122-L126 HydrophobicContact CG-CG 4.23Å; L122-L126 WeakPolarHBondContact O-CG 3.4Å; L122-L126 PolarHBondContact O-N 2.85Å; V123-L126 PolarHBondContact O-N 3.39Å; L126-R130 PolarHBondContact O-N 2.77Å; L126-V131 HydrophobicContact CB-CB 4.34Å; L126-V131 HydrophobicContact CD2-CB 4.05Å; L126-V131 HydrophobicContact CD2-CG1 4.12Å; L126-V131 HydrophobicContact CD2-CG2 4.15Å; L126-V131 PolarHBondContact O-N 3.01Å; L126-L132 HydrophobicContact CB-CD1 3.79Å; L126-L132 HydrophobicContact CB-CG 3.98Å; L126-L132 HydrophobicContact CD1-CD1 3.94Å; L126-L132 HydrophobicContact CD1-CG 4.48Å; L126-L132 PolarHBondContact O-N 2.96Å
127L94.2Very high93.7Very high8 Ų854 Ų544%0.04224%0.237CC..Hα-helixtrans-67.4-44.3172.8-71.6167.1000111.7V123 K125 E129 R130 L132 V134 I137 L157 M161 M164V123-L127 HydrophobicContact CG1-CD1 3.93Å; V123-L127 HydrophobicContact CG1-CG 4.43Å; V123-L127 WeakPolarHBondContact O-CG 3.46Å; V123-L127 PolarHBondContact O-N 3.08Å; K125-L127 VanDerWaalsContact C-N 3.31Å; K125-L127 PolarHBondContact O-N 2.91Å; L127-E129 VanDerWaalsContact C-N 3.35Å; L127-E129 PolarHBondContact O-N 3.28Å; L127-R130 PolarHBondContact O-N 3.36Å; L127-L132 HydrophobicContact CD2-CB 3.9Å; L127-L132 HydrophobicContact CG-CB 4.44Å; L127-V134 HydrophobicContact CD2-CG2 3.98Å; L127-I137 HydrophobicContact CD2-CG2 4.05Å; L127-L157 HydrophobicContact CD1-CD1 3.99Å; L127-M161 HydrophobicContact CD1-CG 3.78Å; L127-M161 HydrophobicContact CD1-SD 4.32Å; L127-M164 HydrophobicContact CB-CE 4.32Å; L127-M164 HydrophobicContact CB-SD 4.06Å
128R92.6Very high93.7Very high171 Ų17148.1 Ų48.165%0.64522%0.217SC*.Hα-helixtrans-62-41.7178.9-176-177.8-68.2-175.5-6.1112.6K124 K125 R130K124-R128 PolarHBondContact O-N 2.68Å; K124-R128 VanDerWaalsContact O-N 3.12Å; K125-R128 PolarHBondContact O-N 3.37Å; R128-R130 PolarHBondContact O-N 2.97Å
129E91Very high93.7Very high67 Ų6749.9 Ų49.931%0.31324%0.239SC..THydrogen-bonded Turntrans-78.35.3178.1-57.9-77.5-171.100112.1K83 I86 K125 L127 V131K83-E129 WeakPolarHBondContact CE-OE1 3.13Å; K83-E129 IonicContact NZ-OE1 2.68Å; K83-E129 PolarHBondContact NZ-OE1 3.27Å; I86-E129 HydrophobicContact CD1-CB 4.2Å; I86-E129 WeakPolarHBondContact CD1-O 3.35Å; K125-E129 HydrophobicContact CG-CG 4.44Å; K125-E129 VanDerWaalsContact O-CG 3.24Å; K125-E129 WeakPolarHBondContact O-CG 3.46Å; K125-E129 PolarHBondContact O-N 3.48Å; L127-E129 VanDerWaalsContact C-N 3.35Å; L127-E129 PolarHBondContact O-N 3.28Å; E129-V131 HydrophobicContact CB-CG2 4.09Å; E129-V131 PolarHBondContact O-N 3.02Å
130R90.8Very high93.8Very high193 Ų19351.9 Ų51.973%0.72825%0.249SC*.THydrogen-bonded Turntrans5039.7-175.9-56.8-158.7-178.2-165.81.7113.3R96 L126 L127 R128R96-R130 PolarHBondContact NH1-O 3.43Å; R96-R130 PolarHBondContact NH2-O 3.39Å; R96-R130 VanDerWaalsContact NH2-O 3.15Å; L126-R130 PolarHBondContact O-N 2.77Å; L127-R130 PolarHBondContact O-N 3.36Å; R128-R130 PolarHBondContact O-N 2.97Å
131V92.1Very high93.8Very high2 Ų251.9 Ų51.91%0.01225%0.249CC..SBendtrans-81.7-38.4168.1-178.70000109.7I86 R96 V99 L126 E129I86-V131 HydrophobicContact CD1-CG2 3.75Å; R96-V131 WeakPolarHBondContact CG-O 3.4Å; R96-V131 VanDerWaalsContact NH1-C 3.33Å; R96-V131 PolarHBondContact NH1-O 3.39Å; V99-V131 HydrophobicContact CB-CG1 4.28Å; V99-V131 HydrophobicContact CG1-CG1 3.98Å; V99-V131 HydrophobicContact CG2-CG1 4.2Å; L126-V131 HydrophobicContact CB-CB 4.34Å; L126-V131 HydrophobicContact CD2-CB 4.05Å; L126-V131 HydrophobicContact CD2-CG1 4.12Å; L126-V131 HydrophobicContact CD2-CG2 4.15Å; L126-V131 PolarHBondContact O-N 3.01Å; E129-V131 HydrophobicContact CB-CG2 4.09Å; E129-V131 PolarHBondContact O-N 3.02Å
132L93.8Very high93.8Very high8 Ų851.6 Ų51.64%0.04225%0.246CC..SBendtrans-110.4150.5174.2-62.7176.6000110.5V99 L100 V103 L126 L127V99-L132 HydrophobicContact CG1-CD2 4.14Å; L100-L132 HydrophobicContact CB-CD2 3.93Å; L100-L132 HydrophobicContact CD1-CD2 4.05Å; V103-L132 HydrophobicContact CG1-CD1 4.44Å; V103-L132 HydrophobicContact CG2-CD1 4.14Å; L126-L132 HydrophobicContact CB-CD1 3.79Å; L126-L132 HydrophobicContact CB-CG 3.98Å; L126-L132 HydrophobicContact CD1-CD1 3.94Å; L126-L132 HydrophobicContact CD1-CG 4.48Å; L126-L132 PolarHBondContact O-N 2.96Å; L127-L132 HydrophobicContact CD2-CB 3.9Å; L127-L132 HydrophobicContact CG-CB 4.44Å
133N92.8Very high93.8Very high66 Ų6654.8 Ų54.835%0.35327%0.267SS..  trans-95.4149.6167.8-53.8-47.4000109.7E135 D136 I137N133-E135 VanDerWaalsContact C-N 3.29Å; N133-E135 WeakPolarHBondContact CB-OE2 3.5Å; N133-E135 PolarHBondContact O-N 3.07Å; N133-D136 WeakPolarHBondContact CB-OD2 3.35Å; N133-D136 PolarHBondContact ND2-OD2 3.24Å; N133-I137 WeakPolarHBondContact O-CG2 3.47Å
134V93.2Very high93.7Very high11 Ų1155.1 Ų55.17%0.06727%0.268CS..Hα-helixtrans-66.2-39.6-179.3177.70000109.8L127 D136 I137 A138 M161 M164 Q165L127-V134 HydrophobicContact CD2-CG2 3.98Å; V134-D136 VanDerWaalsContact C-N 3.33Å; V134-D136 PolarHBondContact O-N 3.45Å; V134-I137 PolarHBondContact O-N 3.07Å; V134-A138 WeakPolarHBondContact O-CB 3.49Å; V134-A138 PolarHBondContact O-N 3.26Å; V134-M161 HydrophobicContact CG1-CB 4.24Å; V134-M161 HydrophobicContact CG1-CE 4.02Å; V134-M161 HydrophobicContact CG1-CG 4.4Å; V134-M164 HydrophobicContact CG2-CB 3.78Å; V134-M164 HydrophobicContact CG2-SD 4.05Å; V134-Q165 HydrophobicContact CG1-CB 4.49Å
135E92.9Very high93.7Very high129 Ų12953.2 Ų53.260%0.60326%0.261SS*.Hα-helixtrans-59.6-43.6-177.4-61.869.6-150.600111.1N133 I137N133-E135 VanDerWaalsContact C-N 3.29Å; N133-E135 WeakPolarHBondContact CB-OE2 3.5Å; N133-E135 PolarHBondContact O-N 3.07Å; E135-I137 PolarHBondContact O-N 3.12Å
136D93.4Very high93.7Very high68 Ų6854 Ų5436%0.36427%0.269SS..Hα-helixtrans-72.3-28.9-175.3-64.4-36.8000113.2L100 R104 N133 V134L100-D136 HydrophobicContact CD1-CB 4.34Å; L100-D136 HydrophobicContact CD2-CB 4.15Å; R104-D136 PolarHBondContact NH2-O 3.01Å; N133-D136 WeakPolarHBondContact CB-OD2 3.35Å; N133-D136 PolarHBondContact ND2-OD2 3.24Å; V134-D136 VanDerWaalsContact C-N 3.33Å; V134-D136 PolarHBondContact O-N 3.45Å
137I94.8Very high93.7Very high0 Ų061.1 Ų61.10%030%0.3CS..Hα-helixtrans-108.3-10.4-173.6-159.569.4000113.3L100 V103 R104 I107 L127 N133 V134 E135 A139 D140 V141L100-I137 HydrophobicContact CD1-CB 4.15Å; L100-I137 HydrophobicContact CD1-CD1 3.48Å; L100-I137 VanDerWaalsContact CD1-CD1 3.48Å; L100-I137 HydrophobicContact CD1-CG1 4.32Å; V103-I137 HydrophobicContact CB-CD1 4.47Å; V103-I137 HydrophobicContact CG1-CD1 3.72Å; V103-I137 HydrophobicContact CG1-CG1 4.31Å; R104-I137 HydrophobicContact CG-CD1 3.96Å; I107-I137 HydrophobicContact CD1-CD1 4.48Å; L127-I137 HydrophobicContact CD2-CG2 4.05Å; N133-I137 WeakPolarHBondContact O-CG2 3.47Å; V134-I137 PolarHBondContact O-N 3.07Å; E135-I137 PolarHBondContact O-N 3.12Å; I137-A139 VanDerWaalsContact C-N 3.29Å; I137-A139 PolarHBondContact O-N 3.36Å; I137-D140 HydrophobicContact CD1-CB 4.31Å; I137-D140 PolarHBondContact O-N 3.07Å; I137-V141 HydrophobicContact CB-CG2 4.43Å; I137-V141 HydrophobicContact CD1-CG2 4.5Å; I137-V141 HydrophobicContact CG1-CG2 3.52Å; I137-V141 HydrophobicContact CG2-CG2 4.24Å; I137-V141 PolarHBondContact O-N 3.27Å
138A93.9Very high93.7Very high12 Ų1262.9 Ų62.910%0.09931%0.306CS..Hα-helixtrans-59.5-37.2-173.100000114.2V134 D140 K142 M161V134-A138 WeakPolarHBondContact O-CB 3.49Å; V134-A138 PolarHBondContact O-N 3.26Å; A138-D140 PolarHBondContact O-N 3.23Å; A138-K142 WeakPolarHBondContact O-CB 3.32Å; A138-K142 VanDerWaalsContact O-CG 3.31Å; A138-K142 WeakPolarHBondContact O-CG 3.33Å; A138-K142 PolarHBondContact O-N 3.46Å; A138-M161 HydrophobicContact CB-CE 3.84Å
139A94.5Very high93.6Very high83 Ų8358.7 Ų58.769%0.68630%0.299SS*.Hα-helixtrans-63.5-30.7178.900000112.7I137 P143I137-A139 VanDerWaalsContact C-N 3.29Å; I137-A139 PolarHBondContact O-N 3.36Å; A139-P143 WeakPolarHBondContact O-CD 3.34Å; A139-P143 VanDerWaalsContact O-CG 3.3Å; A139-P143 WeakPolarHBondContact O-CG 3.45Å
140D95.8Very high93.6Very high43 Ų4363.2 Ų63.223%0.2333%0.326CS..Hα-helixtrans-88-41.1178.9-59.1-77.1000111.6R104 I107 I137 A138 F144R104-D140 WeakPolarHBondContact CG-OD2 3.43Å; R104-D140 IonicContact CZ-OD2 3.76Å; R104-D140 IonicContact NE-OD2 2.85Å; R104-D140 PolarHBondContact NE-OD2 3.47Å; R104-D140 IonicContact NH2-OD2 3.9Å; I107-D140 HydrophobicContact CD1-CB 4.31Å; I137-D140 HydrophobicContact CD1-CB 4.31Å; I137-D140 PolarHBondContact O-N 3.07Å; A138-D140 PolarHBondContact O-N 3.23Å; D140-F144 WeakPolarHBondContact O-CB 3.36Å; D140-F144 PolarHBondContact O-N 3.41Å
141V95.2Very high93.7Very high0 Ų055.3 Ų55.30%030%0.298CS..Hα-helixtrans-78.8-36.9-172.2174.50000112.6I107 V123 I137 F144 T145 L157 M161I107-V141 HydrophobicContact CD1-CG2 3.69Å; V123-V141 HydrophobicContact CG1-CG2 3.82Å; I137-V141 HydrophobicContact CB-CG2 4.43Å; I137-V141 HydrophobicContact CD1-CG2 4.5Å; I137-V141 HydrophobicContact CG1-CG2 3.52Å; I137-V141 HydrophobicContact CG2-CG2 4.24Å; I137-V141 PolarHBondContact O-N 3.27Å; V141-F144 WeakPolarHBondContact O-CB 3.39Å; V141-F144 PolarHBondContact O-N 3.1Å; V141-T145 HydrophobicContact CG1-CG2 3.84Å; V141-T145 WeakPolarHBondContact O-CG2 3.3Å; V141-T145 PolarHBondContact O-N 2.85Å; V141-T145 PolarHBondContact O-OG1 2.9Å; V141-T145 VanDerWaalsContact O-OG1 3.12Å; V141-L157 HydrophobicContact CG1-CD1 4.39Å; V141-L157 HydrophobicContact CG1-CD2 3.55Å; V141-L157 HydrophobicContact CG1-CG 3.82Å; V141-M161 HydrophobicContact CB-CE 4.04Å; V141-M161 HydrophobicContact CB-SD 3.79Å; V141-M161 HydrophobicContact CG1-CE 4.15Å; V141-M161 HydrophobicContact CG1-SD 3.26Å; V141-M161 WeakPolarHBondContact CG1-SD 3.11Å
142K93.9Very high93.9Very high73 Ų7365.1 Ų65.132%0.31734%0.335SS..Hα-helixtrans-59.4-53-179.9-69.5177.5177.8179.40111.3A138 F144 T145 L146 Y158A138-K142 WeakPolarHBondContact O-CB 3.32Å; A138-K142 VanDerWaalsContact O-CG 3.31Å; A138-K142 WeakPolarHBondContact O-CG 3.33Å; A138-K142 PolarHBondContact O-N 3.46Å; K142-F144 VanDerWaalsContact C-N 3.32Å; K142-F144 PolarHBondContact O-N 3.49Å; K142-T145 PolarHBondContact O-N 3.33Å; K142-T145 PolarHBondContact O-OG1 3.32Å; K142-L146 WeakPolarHBondContact O-CG 3.5Å; K142-L146 PolarHBondContact O-N 3.24Å; K142-L146 VanDerWaalsContact O-N 3.1Å; K142-Y158 HydrophobicContact CB-CE2 4.42Å; K142-Y158 HydrophobicContact CG-CD2 4.46Å; K142-Y158 HydrophobicContact CG-CE2 4.04Å
143P94.9Very high94Very high76 Ų7666.7 Ų66.749%0.49434%0.342SS..Hα-helixtrans-60.4-39.3174.8-2234.3000112.9A139 T145 L146 K147A139-P143 WeakPolarHBondContact O-CD 3.34Å; A139-P143 VanDerWaalsContact O-CG 3.3Å; A139-P143 WeakPolarHBondContact O-CG 3.45Å; P143-T145 PolarHBondContact O-N 3.38Å; P143-L146 PolarHBondContact O-N 2.89Å; P143-K147 WeakPolarHBondContact O-CB 3.41Å; P143-K147 PolarHBondContact O-N 3.12Å
144F95.4Very high94Very high9 Ų963.6 Ų63.64%0.03933%0.325CS..Hα-helixtrans-59.3-47.3177169.1-107.3000112.3I107 C110 V116 V119 A120 D140 V141 K142 L146 K147 Y148I107-F144 HydrophobicContact CG1-CG 4.49Å; I107-F144 HydrophobicContact CG2-CB 3.73Å; I107-F144 HydrophobicContact CG2-CD2 3.89Å; I107-F144 HydrophobicContact CG2-CG 3.86Å; C110-F144 WeakPolarHBondContact SG-CE2 3.46Å; V116-F144 HydrophobicContact CG1-CE2 4.23Å; V116-F144 HydrophobicContact CG1-CZ 3.93Å; V119-F144 HydrophobicContact CB-CZ 4.22Å; V119-F144 HydrophobicContact CG1-CE1 4.25Å; V119-F144 HydrophobicContact CG1-CZ 3.99Å; A120-F144 HydrophobicContact CB-CE1 4.31Å; D140-F144 WeakPolarHBondContact O-CB 3.36Å; D140-F144 PolarHBondContact O-N 3.41Å; V141-F144 WeakPolarHBondContact O-CB 3.39Å; V141-F144 PolarHBondContact O-N 3.1Å; K142-F144 VanDerWaalsContact C-N 3.32Å; K142-F144 PolarHBondContact O-N 3.49Å; F144-L146 VanDerWaalsContact C-N 3.33Å; F144-L146 PolarHBondContact O-N 3.05Å; F144-K147 WeakPolarHBondContact O-CB 3.35Å; F144-K147 PolarHBondContact O-N 2.97Å; F144-Y148 AromaticContact CD2-CD2 3.73Å; F144-Y148 HydrophobicContact CD2-CD2 3.73Å; F144-Y148 AromaticContact CD2-CE2 3.68Å; F144-Y148 HydrophobicContact CD2-CE2 3.68Å; F144-Y148 AromaticContact CE2-CD2 3.5Å; F144-Y148 HydrophobicContact CE2-CD2 3.5Å; F144-Y148 AromaticContact CE2-CE2 3.46Å; F144-Y148 HydrophobicContact CE2-CE2 3.46Å; F144-Y148 VanDerWaalsContact CE2-CE2 3.46Å; F144-Y148 HydrophobicContact CZ-CD2 4.22Å; F144-Y148 HydrophobicContact CZ-CE2 4.5Å; F144-Y148 WeakPolarHBondContact O-CD2 3.31Å; F144-Y148 PolarHBondContact O-N 3.31Å
145T95Very high94.1Very high6 Ų666 Ų664%0.03734%0.34CS..Hα-helixtrans-68.5-31.4179.155.70000113.1V141 K142 P143 Y148 C154 L157 Y158V141-T145 HydrophobicContact CG1-CG2 3.84Å; V141-T145 WeakPolarHBondContact O-CG2 3.3Å; V141-T145 PolarHBondContact O-N 2.85Å; V141-T145 PolarHBondContact O-OG1 2.9Å; V141-T145 VanDerWaalsContact O-OG1 3.12Å; K142-T145 PolarHBondContact O-N 3.33Å; K142-T145 PolarHBondContact O-OG1 3.32Å; P143-T145 PolarHBondContact O-N 3.38Å; T145-Y148 CarbonylContact O-C 3.47Å; T145-Y148 PolarHBondContact O-N 2.92Å; T145-C154 HydrophobicContact CG2-CB 4.19Å; T145-C154 WeakPolarHBondContact CG2-O 3.39Å; T145-L157 HydrophobicContact CG2-CB 4.39Å; T145-L157 HydrophobicContact CG2-CD2 4.07Å; T145-L157 HydrophobicContact CG2-CG 4.19Å; T145-Y158 VanDerWaalsContact OG1-CD2 3.28Å; T145-Y158 WeakPolarHBondContact OG1-CD2 3.17Å
146L93.6Very high94.2Very high110 Ų11060.9 Ų60.958%0.57632%0.32SS*.Hα-helixtrans-74.8-27.8174.6-69.4172.2000112.7K142 P143 F144 Y148 T149K142-L146 WeakPolarHBondContact O-CG 3.5Å; K142-L146 PolarHBondContact O-N 3.24Å; K142-L146 VanDerWaalsContact O-N 3.1Å; P143-L146 PolarHBondContact O-N 2.89Å; F144-L146 VanDerWaalsContact C-N 3.33Å; F144-L146 PolarHBondContact O-N 3.05Å; L146-Y148 VanDerWaalsContact C-N 3.3Å; L146-T149 WeakPolarHBondContact O-CG2 3.37Å
147K94.4Very high94.3Very high149 Ų14957.6 Ų57.665%0.64830%0.302SS*.Hα-helixtrans-68.1-31.8173-176-179.4176.4-169.40112P143 F144P143-K147 WeakPolarHBondContact O-CB 3.41Å; P143-K147 PolarHBondContact O-N 3.12Å; F144-K147 WeakPolarHBondContact O-CB 3.35Å; F144-K147 PolarHBondContact O-N 2.97Å
148Y93.2Very high94.2Very high45 Ų4561.5 Ų61.518%0.17632%0.318CS..THydrogen-bonded Turntrans-120.553-174.7-58.9-70.1000112C110 V116 F144 T145 L146 D150 N151 C154C110-Y148 PolarHBondContact O-OH 2.94Å; V116-Y148 HydrophobicContact CB-CG 4.5Å; V116-Y148 HydrophobicContact CG1-CD1 4.04Å; V116-Y148 HydrophobicContact CG1-CD2 3.64Å; V116-Y148 HydrophobicContact CG1-CE2 4.2Å; V116-Y148 HydrophobicContact CG1-CG 3.54Å; V116-Y148 HydrophobicContact CG2-CD1 3.99Å; V116-Y148 HydrophobicContact CG2-CD2 4.01Å; V116-Y148 HydrophobicContact CG2-CE1 3.69Å; V116-Y148 HydrophobicContact CG2-CE2 3.71Å; V116-Y148 HydrophobicContact CG2-CG 4.14Å; F144-Y148 AromaticContact CD2-CD2 3.73Å; F144-Y148 HydrophobicContact CD2-CD2 3.73Å; F144-Y148 AromaticContact CD2-CE2 3.68Å; F144-Y148 HydrophobicContact CD2-CE2 3.68Å; F144-Y148 AromaticContact CE2-CD2 3.5Å; F144-Y148 HydrophobicContact CE2-CD2 3.5Å; F144-Y148 AromaticContact CE2-CE2 3.46Å; F144-Y148 HydrophobicContact CE2-CE2 3.46Å; F144-Y148 VanDerWaalsContact CE2-CE2 3.46Å; F144-Y148 HydrophobicContact CZ-CD2 4.22Å; F144-Y148 HydrophobicContact CZ-CE2 4.5Å; F144-Y148 WeakPolarHBondContact O-CD2 3.31Å; F144-Y148 PolarHBondContact O-N 3.31Å; T145-Y148 CarbonylContact O-C 3.47Å; T145-Y148 PolarHBondContact O-N 2.92Å; L146-Y148 VanDerWaalsContact C-N 3.3Å; Y148-D150 VanDerWaalsContact C-N 3.28Å; Y148-D150 PolarHBondContact O-N 3.09Å; Y148-N151 WeakPolarHBondContact O-CB 3.28Å; Y148-N151 PolarHBondContact O-N 3.31Å; Y148-N151 VanDerWaalsContact O-N 3.09Å; Y148-C154 WeakPolarHBondContact O-CB 3.32Å
149T91.7Very high94.2Very high82 Ų8265.6 Ų65.650%0.50334%0.335SS..THydrogen-bonded Turntrans-62.9-30.1-175.346.20000114.3L146 N151 T155L146-T149 WeakPolarHBondContact O-CG2 3.37Å; T149-N151 PolarHBondContact O-N 3.33Å; T149-T155 PolarHBondContact O-OG1 3.48Å
150D90.3Very high94Very high163 Ų16362.9 Ų62.987%0.87231%0.311SS*.THydrogen-bonded Turntrans-74.4-13.1179.2-58-31.6000112.1Y148 R152Y148-D150 VanDerWaalsContact C-N 3.28Å; Y148-D150 PolarHBondContact O-N 3.09Å; D150-R152 PolarHBondContact O-N 3.14Å
151N93.6Very high93.9Very high26 Ų2660.9 Ų60.914%0.13930%0.3CS..  trans-84.4111.3176.6-166.8-56.1000110.7V116 Y148 T149 E153 C154 T155V116-N151 HydrophobicContact CG1-CB 4.43Å; Y148-N151 WeakPolarHBondContact O-CB 3.28Å; Y148-N151 PolarHBondContact O-N 3.31Å; Y148-N151 VanDerWaalsContact O-N 3.09Å; T149-N151 PolarHBondContact O-N 3.33Å; N151-E153 PolarHBondContact O-N 3.43Å; N151-E153 VanDerWaalsContact O-N 3.11Å; N151-E153 WeakPolarHBondContact OD1-CB 3.48Å; N151-E153 PolarHBondContact OD1-N 2.99Å; N151-C154 HydrophobicContact CB-CB 4.13Å; N151-C154 WeakPolarHBondContact O-CB 3.36Å; N151-C154 PolarHBondContact O-N 3.35Å; N151-T155 PolarHBondContact O-N 3.49Å; N151-T155 PolarHBondContact O-OG1 2.96Å
152R95.1Very high93.7Very high208 Ų20863.7 Ų63.779%0.78531%0.314SS*.Hα-helixtrans-52.1-35.7179.2-176.6-179.1173.8-171.2-1.4113.9D150 T155 A156D150-R152 PolarHBondContact O-N 3.14Å; R152-T155 PolarHBondContact O-N 3.18Å; R152-A156 WeakPolarHBondContact O-CB 3.26Å; R152-A156 PolarHBondContact O-N 3.43Å
153E95.6Very high93.5Very high42 Ų4265.6 Ų65.620%0.19633%0.328CS..Hα-helixtrans-73.1-31.8179.8-63.3-57.9152.100112.1R117 A120 M121 N151 A156 L157R117-E153 HydrophobicContact CG-CB 4.27Å; R117-E153 HydrophobicContact CG-CG 3.63Å; A120-E153 HydrophobicContact CB-CB 3.82Å; M121-E153 HydrophobicContact CG-CB 4.33Å; M121-E153 HydrophobicContact CG-CG 3.87Å; M121-E153 HydrophobicContact SD-CG 4.34Å; N151-E153 PolarHBondContact O-N 3.43Å; N151-E153 VanDerWaalsContact O-N 3.11Å; N151-E153 WeakPolarHBondContact OD1-CB 3.48Å; N151-E153 PolarHBondContact OD1-N 2.99Å; E153-A156 PolarHBondContact O-N 2.96Å; E153-L157 VanDerWaalsContact O-CB 3.31Å; E153-L157 WeakPolarHBondContact O-CB 3.37Å; E153-L157 PolarHBondContact O-N 3.32Å
154C94.4Very high93.2Very high0 Ų065.4 Ų65.40%032%0.321CS..Hα-helixtrans-65.8-44.5172.5-710000111T145 Y148 N151 A156 L157 Y158T145-C154 HydrophobicContact CG2-CB 4.19Å; T145-C154 WeakPolarHBondContact CG2-O 3.39Å; Y148-C154 WeakPolarHBondContact O-CB 3.32Å; N151-C154 HydrophobicContact CB-CB 4.13Å; N151-C154 WeakPolarHBondContact O-CB 3.36Å; N151-C154 PolarHBondContact O-N 3.35Å; C154-A156 VanDerWaalsContact C-N 3.34Å; C154-A156 PolarHBondContact O-N 3.11Å; C154-L157 PolarHBondContact O-N 2.87Å; C154-Y158 WeakPolarHBondContact O-CB 3.27Å; C154-Y158 PolarHBondContact O-N 3.43Å
155T93.8Very high92.5Very high62 Ų6269.3 Ų69.338%0.3834%0.34SS..Hα-helixtrans-60-45.3173.8-40.30000111.2T149 N151 R152 L157 Y158 Q159T149-T155 PolarHBondContact O-OG1 3.48Å; N151-T155 PolarHBondContact O-N 3.49Å; N151-T155 PolarHBondContact O-OG1 2.96Å; R152-T155 PolarHBondContact O-N 3.18Å; T155-L157 VanDerWaalsContact C-N 3.34Å; T155-L157 PolarHBondContact O-N 3.46Å; T155-Y158 PolarHBondContact O-N 3.17Å; T155-Q159 WeakPolarHBondContact O-CG 3.36Å; T155-Q159 PolarHBondContact O-N 3.46Å
156A94.8Very high91.7Very high21 Ų2175.6 Ų75.617%0.17437%0.373CS..Hα-helixtrans-66.3-34.9179.900000112.8R152 E153 C154 S160R152-A156 WeakPolarHBondContact O-CB 3.26Å; R152-A156 PolarHBondContact O-N 3.43Å; E153-A156 PolarHBondContact O-N 2.96Å; C154-A156 VanDerWaalsContact C-N 3.34Å; C154-A156 PolarHBondContact O-N 3.11Å; A156-S160 WeakPolarHBondContact O-CB 3.31Å; A156-S160 PolarHBondContact O-N 2.98Å; A156-S160 VanDerWaalsContact O-N 3.08Å; A156-S160 PolarHBondContact O-OG 3.35Å
157L95.4Very high90.1Very high0 Ų072.7 Ų72.70%037%0.37CS..Hα-helixtrans-65.7-48.7173.1170.558.3000111A120 V123 K124 L127 V141 T145 E153 C154 T155 Q159 S160 M161A120-L157 HydrophobicContact CB-CD2 4.24Å; V123-L157 HydrophobicContact CB-CD1 4.29Å; V123-L157 HydrophobicContact CB-CD2 3.98Å; V123-L157 HydrophobicContact CG1-CD1 3.93Å; V123-L157 HydrophobicContact CG1-CD2 4.06Å; K124-L157 HydrophobicContact CB-CD1 3.9Å; L127-L157 HydrophobicContact CD1-CD1 3.99Å; V141-L157 HydrophobicContact CG1-CD1 4.39Å; V141-L157 HydrophobicContact CG1-CD2 3.55Å; V141-L157 HydrophobicContact CG1-CG 3.82Å; T145-L157 HydrophobicContact CG2-CB 4.39Å; T145-L157 HydrophobicContact CG2-CD2 4.07Å; T145-L157 HydrophobicContact CG2-CG 4.19Å; E153-L157 VanDerWaalsContact O-CB 3.31Å; E153-L157 WeakPolarHBondContact O-CB 3.37Å; E153-L157 PolarHBondContact O-N 3.32Å; C154-L157 PolarHBondContact O-N 2.87Å; T155-L157 VanDerWaalsContact C-N 3.34Å; T155-L157 PolarHBondContact O-N 3.46Å; L157-Q159 PolarHBondContact O-N 3.08Å; L157-S160 WeakPolarHBondContact O-CB 3.46Å; L157-S160 PolarHBondContact O-N 2.73Å; L157-S160 VanDerWaalsContact O-N 3.14Å; L157-M161 HydrophobicContact CD1-CG 4.25Å; L157-M161 HydrophobicContact CD1-SD 4.17Å; L157-M161 HydrophobicContact CG-SD 4.4Å; L157-M161 PolarHBondContact O-N 3.47Å
158Y94Very high87.7Confident81 Ų8169.7 Ų69.732%0.31838%0.381SS..Hα-helixtrans-57.8-47.7179.5-174.9-101.9000112.1K142 T145 C154 T155 S160 M161 I162K142-Y158 HydrophobicContact CB-CE2 4.42Å; K142-Y158 HydrophobicContact CG-CD2 4.46Å; K142-Y158 HydrophobicContact CG-CE2 4.04Å; T145-Y158 VanDerWaalsContact OG1-CD2 3.28Å; T145-Y158 WeakPolarHBondContact OG1-CD2 3.17Å; C154-Y158 WeakPolarHBondContact O-CB 3.27Å; C154-Y158 PolarHBondContact O-N 3.43Å; T155-Y158 PolarHBondContact O-N 3.17Å; Y158-S160 PolarHBondContact O-N 3.29Å; Y158-M161 PolarHBondContact O-N 3.3Å; Y158-I162 HydrophobicContact CD1-CD1 3.82Å; Y158-I162 HydrophobicContact CE1-CD1 3.34Å; Y158-I162 HydrophobicContact CE1-CG1 4.41Å; Y158-I162 PolarHBondContact O-N 3.48Å
159Q92.6Very high85.1Confident99 Ų9971 Ų7146%0.46341%0.408SS..Hα-helixtrans-62-41.7175.4-71.2-179.3-6.600112.3T155 L157 M161 I162 N163T155-Q159 WeakPolarHBondContact O-CG 3.36Å; T155-Q159 PolarHBondContact O-N 3.46Å; L157-Q159 PolarHBondContact O-N 3.08Å; Q159-M161 VanDerWaalsContact C-N 3.29Å; Q159-M161 PolarHBondContact O-N 3.37Å; Q159-I162 PolarHBondContact O-N 3.03Å; Q159-N163 VanDerWaalsContact O-CG 3.23Å; Q159-N163 PolarHBondContact O-N 3.45Å; Q159-N163 PolarHBondContact O-ND2 3.04Å; Q159-N163 PolarHBondContact O-OD1 3.3Å
160S92Very high82.2Confident25 Ų2570.9 Ų70.918%0.17542%0.424CS..Hα-helixtrans-61-39.6178.5-62.30000111.6K124 A156 L157 Y158 N163 M164K124-S160 WeakPolarHBondContact CE-OG 3.49Å; A156-S160 WeakPolarHBondContact O-CB 3.31Å; A156-S160 PolarHBondContact O-N 2.98Å; A156-S160 VanDerWaalsContact O-N 3.08Å; A156-S160 PolarHBondContact O-OG 3.35Å; L157-S160 WeakPolarHBondContact O-CB 3.46Å; L157-S160 PolarHBondContact O-N 2.73Å; L157-S160 VanDerWaalsContact O-N 3.14Å; Y158-S160 PolarHBondContact O-N 3.29Å; S160-N163 PolarHBondContact O-N 3.04Å; S160-M164 VanDerWaalsContact O-CG 3.27Å; S160-M164 WeakPolarHBondContact O-CG 3.44Å; S160-M164 PolarHBondContact O-N 2.91Å
161M93.4Very high79.3Confident1 Ų166.9 Ų66.91%0.00542%0.421CS..Hα-helixtrans-66.7-42.2177.3-75.1174.164.200112.9L127 V134 A138 V141 L157 Y158 Q159 N163 M164 Q165L127-M161 HydrophobicContact CD1-CG 3.78Å; L127-M161 HydrophobicContact CD1-SD 4.32Å; V134-M161 HydrophobicContact CG1-CB 4.24Å; V134-M161 HydrophobicContact CG1-CE 4.02Å; V134-M161 HydrophobicContact CG1-CG 4.4Å; A138-M161 HydrophobicContact CB-CE 3.84Å; V141-M161 HydrophobicContact CB-CE 4.04Å; V141-M161 HydrophobicContact CB-SD 3.79Å; V141-M161 HydrophobicContact CG1-CE 4.15Å; V141-M161 HydrophobicContact CG1-SD 3.26Å; V141-M161 WeakPolarHBondContact CG1-SD 3.11Å; L157-M161 HydrophobicContact CD1-CG 4.25Å; L157-M161 HydrophobicContact CD1-SD 4.17Å; L157-M161 HydrophobicContact CG-SD 4.4Å; L157-M161 PolarHBondContact O-N 3.47Å; Y158-M161 PolarHBondContact O-N 3.3Å; Q159-M161 VanDerWaalsContact C-N 3.29Å; Q159-M161 PolarHBondContact O-N 3.37Å; M161-N163 VanDerWaalsContact C-N 3.3Å; M161-N163 PolarHBondContact O-N 3.46Å; M161-M164 PolarHBondContact O-N 3.22Å; M161-Q165 WeakPolarHBondContact O-CB 3.32Å; M161-Q165 PolarHBondContact O-N 3.41Å
162I90.4Very high76.3Confident59 Ų5969.3 Ų69.330%0.30345%0.452SS..Hα-helixtrans-60.6-44.2176.2-67.9172.9000110.3Y158 Q159 M164 Q165 N166Y158-I162 HydrophobicContact CD1-CD1 3.82Å; Y158-I162 HydrophobicContact CE1-CD1 3.34Å; Y158-I162 HydrophobicContact CE1-CG1 4.41Å; Y158-I162 PolarHBondContact O-N 3.48Å; Q159-I162 PolarHBondContact O-N 3.03Å; I162-M164 VanDerWaalsContact C-N 3.33Å; I162-M164 PolarHBondContact O-N 3.49Å; I162-Q165 PolarHBondContact O-N 2.74Å; I162-N166 WeakPolarHBondContact O-CB 3.45Å; I162-N166 PolarHBondContact O-N 2.93Å
163N88.8Confident73.2Confident113 Ų11368.9 Ų68.960%0.60446%0.459SS*.Hα-helixtrans-63.6-39.3179.3-66.1-10.7000112Q159 S160 M161 G167Q159-N163 VanDerWaalsContact O-CG 3.23Å; Q159-N163 PolarHBondContact O-N 3.45Å; Q159-N163 PolarHBondContact O-ND2 3.04Å; Q159-N163 PolarHBondContact O-OD1 3.3Å; S160-N163 PolarHBondContact O-N 3.04Å; M161-N163 VanDerWaalsContact C-N 3.3Å; M161-N163 PolarHBondContact O-N 3.46Å; N163-G167 WeakPolarHBondContact O-CA 3.44Å; N163-G167 PolarHBondContact O-N 3.43Å
164M89.1Confident70.3Confident72 Ų7275.7 Ų75.736%0.35549%0.49SS..Hα-helixtrans-68.2-37.4175.4-70.9173.5-176.500112.1L127 V134 S160 M161 I162 G167L127-M164 HydrophobicContact CB-CE 4.32Å; L127-M164 HydrophobicContact CB-SD 4.06Å; V134-M164 HydrophobicContact CG2-CB 3.78Å; V134-M164 HydrophobicContact CG2-SD 4.05Å; S160-M164 VanDerWaalsContact O-CG 3.27Å; S160-M164 WeakPolarHBondContact O-CG 3.44Å; S160-M164 PolarHBondContact O-N 2.91Å; M161-M164 PolarHBondContact O-N 3.22Å; I162-M164 VanDerWaalsContact C-N 3.33Å; I162-M164 PolarHBondContact O-N 3.49Å; M164-G167 PolarHBondContact O-N 3.46Å
165Q82.1Confident67.5Low92 Ų9283.1 Ų83.143%0.4353%0.53SS..Hα-helixtrans-72-31.8-179.7-162167.18.500112.3V134 M161 I162V134-Q165 HydrophobicContact CG1-CB 4.49Å; M161-Q165 WeakPolarHBondContact O-CB 3.32Å; M161-Q165 PolarHBondContact O-N 3.41Å; I162-Q165 PolarHBondContact O-N 2.74Å
166N77.8Confident64.5Low137 Ų13787.7 Ų87.773%0.73355%0.549SS*.Hα-helixtrans-87.7-13.4176-69.31.8000113.3I162I162-N166 WeakPolarHBondContact O-CB 3.45Å; I162-N166 PolarHBondContact O-N 2.93Å
167G60.6Low61.5Low50 Ų5092.3 Ų92.352%0.51558%0.575SS.*  trans-110.131.1-167.800000115.4N163 M164 G169N163-G167 WeakPolarHBondContact O-CA 3.44Å; N163-G167 PolarHBondContact O-N 3.43Å; M164-G167 PolarHBondContact O-N 3.46Å; G167-G169 PolarHBondContact O-N 3.02Å
168G43.9Very low58.6Low86 Ų8695.5 Ų95.589%0.88760%0.595SS**  trans-63.674.4172.800000112.9
169G36.7Very low55.8Low71 Ų7195.3 Ų95.373%0.73261%0.605SS**SBendtrans168.4111.5174.600000113.3G167G167-G169 PolarHBondContact O-N 3.02Å
170G31.5Very low53.2Low81 Ų8194.4 Ų94.484%0.83561%0.607SS**  trans101.9114.8160.600000115.8
171G29Very low50.7Low79 Ų7997.7 Ų97.781%0.81463%0.626SS**  trans-72.2154.2173.700000113.9
172G31.7Very low48.2Very low76 Ų76100.6 Ų100.678%0.78464%0.644SS**  trans50.2104.6152.300000119.5
173Q29.8Very low45.7Very low200 Ų200101.6 Ų101.694%0.93565%0.653SS**  -168.1139.5117-131.5167.2-46.300110.7
174E34.3Very low43.4Very low184 Ų184100 Ų10086%0.8665%0.647SS**  trans-68.6157.7173.6-67.4178.3143.800112.2
175N34.8Very low41.1Very low156 Ų156100.1 Ų100.183%0.83465%0.652SS**  trans72.881.6169.6-77.4-1.2000118.5
176M31.1Very low39.3Very low158 Ų158100.1 Ų100.178%0.77866%0.658SS**  trans-136.4105.5139.8-156.4155.695.800109.2T178M176-T178 VanDerWaalsContact C-N 3.28Å; M176-T178 PolarHBondContact O-N 3.22Å
177T32.8Very low37.6Very low118 Ų11897.6 Ų97.672%0.72465%0.648SS**  trans-76.578.5179.7-41.30000109.5S179T177-S179 PolarHBondContact O-N 3.19Å
178T34.8Very low36.8Very low67 Ų67104.5 Ų104.541%0.41166%0.664SS.*  trans-72.4105.5163.6-54.90000107.4M176 T180M176-T178 VanDerWaalsContact C-N 3.28Å; M176-T178 PolarHBondContact O-N 3.22Å; T178-T180 PolarHBondContact O-N 2.95Å
179S35.1Very low37Very low77 Ų77103 Ų10354%0.53864%0.64SS.*  trans-79.5101.4175.2-63.90000108.5T177T177-S179 PolarHBondContact O-N 3.19Å
180T38.2Very low37.5Very low80 Ų80105.9 Ų105.949%0.49165%0.649SS.*EExtended strand (participates in β ladder)trans-100.7110.2168.9-50.20000108.1T178T178-T180 PolarHBondContact O-N 2.95Å
181T39.2Very low38.4Very low94 Ų94105.4 Ų105.458%0.57763%0.633SS**EExtended strand (participates in β ladder)trans-92.9113.6171.6-53.40000107.3T202T181-T202 PolarHBondContact O-N 3.46Å
182T39.8Very low39.4Very low62 Ų62107.8 Ų107.838%0.3863%0.634SS.*EExtended strand (participates in β ladder)trans-106.9115.7171.4-52.30000108T199 T201T182-T199 HydrophobicContact CG2-CG2 4.13Å; T182-T201 HydrophobicContact CG2-CG2 3.92Å
183T39.2Very low40.4Very low80 Ų80108.8 Ų108.849%0.49162%0.621SS.*EExtended strand (participates in β ladder)trans-108.7117.2175.2-52.70000107.3T185 T200T183-T185 HydrophobicContact CG2-CG2 4.39Å; T183-T200 PolarHBondContact N-O 2.93Å; T183-T200 PolarHBondContact O-N 3.36Å
184T40.4Very low41.3Very low79 Ų79101.7 Ų101.749%0.48559%0.594SS.*EExtended strand (participates in β ladder)trans-107.4118.3174.9-500000107.9T197T184-T197 HydrophobicContact CG2-CG2 4.23Å
185T40.1Very low42.3Very low75 Ų7596.1 Ų96.146%0.4657%0.57SS.*EExtended strand (participates in β ladder)trans-114.9122.7176.138.50000109T183 T198T183-T185 HydrophobicContact CG2-CG2 4.39Å; T185-T198 PolarHBondContact N-O 3.02Å; T185-T198 PolarHBondContact O-N 2.98Å
186T43.9Very low43.2Very low92 Ų9289.8 Ų89.856%0.56454%0.537SS*.EExtended strand (participates in β ladder)trans-104.3113.2174.2-23.20000107.4L195T186-L195 HydrophobicContact CG2-CD1 4.3Å
187T43.5Very low44.4Very low85 Ų8584.1 Ų84.152%0.52151%0.512SS..EExtended strand (participates in β ladder)trans-110.3122.8178.2500000109.2S189T187-S189 PolarHBondContact O-N 3.24Å
188K43.5Very low45.7Very low194 Ų19479.9 Ų79.984%0.84349%0.486SS*.EExtended strand (participates in β ladder)trans-74.3114.6164.6-74.9-174.8178-179.10107
189S48.4Very low46.8Very low55 Ų5579 Ų7939%0.38548%0.48SS..  trans-70.3156.5172.980.80000109.7T187 S191 S194T187-S189 PolarHBondContact O-N 3.24Å; S189-S191 PolarHBondContact O-N 3.24Å; S189-S194 PolarHBondContact OG-OG 2.88Å
190S46.8Very low47.8Very low132 Ų13277.2 Ų77.292%0.92347%0.466SS*.SBendtrans-679.6-179.2450000114.8
191S49Very low48.7Very low71 Ų7175.8 Ų75.850%0.49746%0.458SS..SBendtrans-113.2127.4175.4-69.20000110.1S189 N193S189-S191 PolarHBondContact O-N 3.24Å; S191-N193 PolarHBondContact O-N 3.26Å
192P50.3Low49.3Very low128 Ų12873.3 Ų73.383%0.83144%0.442SS*.THydrogen-bonded Turntrans-68-5-164.621.8-30.9000116.9
193N54.1Low49.9Very low97 Ų9773 Ų7352%0.51944%0.442SS..THydrogen-bonded Turntrans-120.816.9-173.9-90.641.6000115.8S191 L221S191-N193 PolarHBondContact O-N 3.26Å; N193-L221 PolarHBondContact ND2-O 3.46Å; N193-L221 PolarHBondContact O-N 3.39Å
194S48.8Very low50.1Low51 Ų5174.5 Ų74.536%0.35744%0.444SS..EExtended strand (participates in β ladder)trans-128.6130174.874.30000113.5S189 F219S189-S194 PolarHBondContact OG-OG 2.88Å; S194-F219 WeakPolarHBondContact CA-O 3.11Å
195L55.5Low50.5Low68 Ų6874.8 Ų74.836%0.35644%0.442SS..EExtended strand (participates in β ladder)trans-109.7121.5170.3-172.869.7000108.1T186 F219T186-L195 HydrophobicContact CG2-CD1 4.3Å; L195-F219 PolarHBondContact N-O 3.11Å; L195-F219 PolarHBondContact O-N 3.12Å
196S51.9Low50.4Low22 Ų2277.2 Ų77.215%0.15446%0.459CS..EExtended strand (participates in β ladder)trans-116.1129.9176-1680000110.3T216 V217 S218S196-T216 WeakPolarHBondContact OG-CG2 3.44Å; S196-V217 WeakPolarHBondContact CA-O 3.4Å; S196-S218 PolarHBondContact OG-OG 3.11Å
197T56.6Low50.7Low40 Ų4077.3 Ų77.325%0.24548%0.479CS..EExtended strand (participates in β ladder)trans-114.9116.7176-59.10000108.3T184 V217T184-T197 HydrophobicContact CG2-CG2 4.23Å; T197-V217 PolarHBondContact N-O 3.33Å; T197-V217 PolarHBondContact O-N 2.91Å
198T59.8Low51.1Low29 Ų2976.1 Ų76.118%0.17848%0.478CS..EExtended strand (participates in β ladder)trans-105.7125172.6-600000109.3T185 T214 T215 T216T185-T198 PolarHBondContact N-O 3.02Å; T185-T198 PolarHBondContact O-N 2.98Å; T198-T214 HydrophobicContact CG2-CG2 3.72Å; T198-T215 WeakPolarHBondContact CA-O 3.48Å; T198-T216 WeakPolarHBondContact CG2-OG1 3.42Å; T198-T216 WeakPolarHBondContact OG1-CG2 3.43Å; T198-T216 PolarHBondContact OG1-OG1 2.99Å
199T59.3Low51.3Low47 Ų4772.3 Ų72.329%0.28848%0.475SS..EExtended strand (participates in β ladder)trans-112.4119173-55.40000108.4T182 T201 T215T182-T199 HydrophobicContact CG2-CG2 4.13Å; T199-T201 HydrophobicContact CG2-CG2 4.31Å; T199-T215 PolarHBondContact N-O 2.86Å; T199-T215 PolarHBondContact O-N 3.25Å
200T54.8Low51.8Low40 Ų4072 Ų7225%0.24548%0.476CS..EExtended strand (participates in β ladder)trans-109.5121.7171.2-58.70000109.1T183 T212 T214T183-T200 PolarHBondContact N-O 2.93Å; T183-T200 PolarHBondContact O-N 3.36Å; T200-T212 HydrophobicContact CG2-CG2 3.81Å; T200-T214 PolarHBondContact OG1-OG1 2.83Å
201T58.4Low52.3Low51 Ų5169.4 Ų69.431%0.31346%0.455SS..EExtended strand (participates in β ladder)trans-112.4117.2174.547.80000108.9T182 T199 T213T182-T201 HydrophobicContact CG2-CG2 3.92Å; T199-T201 HydrophobicContact CG2-CG2 4.31Å; T201-T213 PolarHBondContact N-O 2.86Å; T201-T213 PolarHBondContact O-N 2.84Å; T201-T213 PolarHBondContact OG1-O 3.24Å
202T52.1Low52.9Low41 Ų4169.9 Ų69.925%0.25246%0.455SS..EExtended strand (participates in β ladder)trans-110.3118.2171.8-57.50000108.8T181 T212T181-T202 PolarHBondContact O-N 3.46Å; T202-T212 WeakPolarHBondContact CG2-OG1 3.45Å; T202-T212 WeakPolarHBondContact OG1-CG2 3.46Å; T202-T212 PolarHBondContact OG1-OG1 2.79Å
203S51.3Low53.5Low55 Ų5567.2 Ų67.239%0.38544%0.436SS..EExtended strand (participates in β ladder)trans-102.3123.3172.6580000109.5T211S203-T211 PolarHBondContact N-O 2.8Å; S203-T211 PolarHBondContact O-N 3.32Å; S203-T211 VanDerWaalsContact O-N 3.11Å; S203-T211 PolarHBondContact OG-O 3.33Å
204H43.6Very low53.9Low113 Ų11366.5 Ų66.552%0.52344%0.436SS..  trans-107.5124.9169.8-109.676.4000109.5A210H204-A210 WeakPolarHBondContact CE1-CB 3.43Å; H204-A210 WeakPolarHBondContact ND1-CB 3.43Å
205N48.2Very low54.7Low84 Ų8467.8 Ų67.845%0.44944%0.441SS..  trans-114.9124.1170.6-132.420.8000108.4G207 A208N205-G207 PolarHBondContact O-N 2.84Å; N205-G207 VanDerWaalsContact O-N 3.11Å; N205-A208 HydrophobicContact CB-CB 4.36Å; N205-A208 PolarHBondContact O-N 2.85Å; N205-A208 VanDerWaalsContact O-N 3.12Å
206P39.4Very low55.2Low126 Ų12668.3 Ų68.382%0.81845%0.448SS*.THydrogen-bonded Turntrans-62.9116.5179.2-17.429.7000110
207G49.5Very low55.8Low94 Ų9470.4 Ų70.497%0.96946%0.459SS*.THydrogen-bonded Turntrans103.1-1.5-177.800000115.7N205N205-G207 PolarHBondContact O-N 2.84Å; N205-G207 VanDerWaalsContact O-N 3.11Å
208A51.1Low56.2Low61 Ų6172.6 Ų72.650%0.50448%0.476SS..SBendtrans-128155.4171.700000111.2N205 A210N205-A208 HydrophobicContact CB-CB 4.36Å; N205-A208 PolarHBondContact O-N 2.85Å; N205-A208 VanDerWaalsContact O-N 3.12Å; A208-A210 PolarHBondContact O-N 3.03Å
209S49.5Very low56.1Low113 Ų11377 Ų7779%0.7949%0.493SS*.  trans-58.1135.6173.3-90.80000111.2T211S209-T211 PolarHBondContact O-N 3.31Å
210A57.1Low55.7Low48 Ų4878.9 Ų78.940%0.39751%0.514SS..  trans-55.8130.2174.800000111.1H204 A208H204-A210 WeakPolarHBondContact CE1-CB 3.43Å; H204-A210 WeakPolarHBondContact ND1-CB 3.43Å; A208-A210 PolarHBondContact O-N 3.03Å
211T58.1Low55.6Low79 Ų7982.1 Ų82.149%0.48553%0.529SS..EExtended strand (participates in β ladder)trans-106.9122.7174.6-56.60000108.8S203 S209S203-T211 PolarHBondContact N-O 2.8Å; S203-T211 PolarHBondContact O-N 3.32Å; S203-T211 VanDerWaalsContact O-N 3.11Å; S203-T211 PolarHBondContact OG-O 3.33Å; S209-T211 PolarHBondContact O-N 3.31Å
212T61.9Low55.2Low81 Ų8191 Ų9150%0.49757%0.573SS.*EExtended strand (participates in β ladder)trans-114.4123.6174.4-60.50000109T200 T202T200-T212 HydrophobicContact CG2-CG2 3.81Å; T202-T212 WeakPolarHBondContact CG2-OG1 3.45Å; T202-T212 WeakPolarHBondContact OG1-CG2 3.46Å; T202-T212 PolarHBondContact OG1-OG1 2.79Å
213T63.5Low55.4Low72 Ų7293.6 Ų93.644%0.44259%0.589SS.*EExtended strand (participates in β ladder)trans-115.4125.2174.6-510000108.2T201T201-T213 PolarHBondContact N-O 2.86Å; T201-T213 PolarHBondContact O-N 2.84Å; T201-T213 PolarHBondContact OG1-O 3.24Å
214T62.5Low55.6Low82 Ų8295.6 Ų95.650%0.50360%0.6SS.*EExtended strand (participates in β ladder)trans-114.8124.5174.8-60.30000108.7T198 T200T198-T214 HydrophobicContact CG2-CG2 3.72Å; T200-T214 PolarHBondContact OG1-OG1 2.83Å
215T65.3Low56.2Low77 Ų7794.6 Ų94.647%0.47261%0.605SS.*EExtended strand (participates in β ladder)trans-118.8123.9175.9-53.60000108.6T198 T199 V217T198-T215 WeakPolarHBondContact CA-O 3.48Å; T199-T215 PolarHBondContact N-O 2.86Å; T199-T215 PolarHBondContact O-N 3.25Å; T215-V217 HydrophobicContact CG2-CG2 4.24Å
216T66.1Low56.7Low80 Ų8095.2 Ų95.249%0.49161%0.614SS.*EExtended strand (participates in β ladder)trans-113.8126.4174.4-61.10000109S196 T198S196-T216 WeakPolarHBondContact OG-CG2 3.44Å; T198-T216 WeakPolarHBondContact CG2-OG1 3.42Å; T198-T216 WeakPolarHBondContact OG1-CG2 3.43Å; T198-T216 PolarHBondContact OG1-OG1 2.99Å
217V64.4Low57.8Low65 Ų6593.3 Ų93.339%0.39460%0.601SS.*EExtended strand (participates in β ladder)trans-118.4120.4176.4-172.30000108.4S196 T197 T215 F219S196-V217 WeakPolarHBondContact CA-O 3.4Å; T197-V217 PolarHBondContact N-O 3.33Å; T197-V217 PolarHBondContact O-N 2.91Å; T215-V217 HydrophobicContact CG2-CG2 4.24Å; V217-F219 HydrophobicContact CB-CE2 4.31Å; V217-F219 HydrophobicContact CG1-CD2 4.08Å; V217-F219 HydrophobicContact CG1-CE2 3.41Å; V217-F219 VanDerWaalsContact CG1-CE2 3.41Å; V217-F219 HydrophobicContact CG1-CZ 3.77Å
218S63.6Low58.3Low86 Ų8693.3 Ų93.360%0.60158%0.576SS**EExtended strand (participates in β ladder)trans-107.7128.4177.5-60.10000109.9S196S196-S218 PolarHBondContact OG-OG 3.11Å
219F58.5Low58.9Low121 Ų12195.6 Ų95.653%0.53158%0.582SS.*EExtended strand (participates in β ladder)trans-108.7129.8172.9-69.2-87.1000109.7S194 L195 V217S194-F219 WeakPolarHBondContact CA-O 3.11Å; L195-F219 PolarHBondContact N-O 3.11Å; L195-F219 PolarHBondContact O-N 3.12Å; V217-F219 HydrophobicContact CB-CE2 4.31Å; V217-F219 HydrophobicContact CG1-CD2 4.08Å; V217-F219 HydrophobicContact CG1-CE2 3.41Å; V217-F219 VanDerWaalsContact CG1-CE2 3.41Å; V217-F219 HydrophobicContact CG1-CZ 3.77Å
220A50.9Low59.6Low88 Ų8894.2 Ų94.273%0.72757%0.565SS**EExtended strand (participates in β ladder)trans-87.4123.7164.700000108.1L222A220-L222 PolarHBondContact O-N 3.45Å
221L52.3Low59.8Low108 Ų10898.1 Ų98.157%0.56558%0.58SS**  trans-81.4112.6169.8-70.7164.2000106.9N193N193-L221 PolarHBondContact ND2-O 3.46Å; N193-L221 PolarHBondContact O-N 3.39Å
222L50.3Low59.9Low238 Ų23899.8 Ų99.8100%1.24659%0.588SS**  trans-74.50171-84.3163.2000110.3A220A220-L222 PolarHBondContact O-N 3.45Å

Retrieved 222 of 222 residues in 309.8 ms (Link to these results)

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