A0A077Z3M9_TRITR Loading...

E3 ubiquitin-protein ligase hrd-1

AlphaFold DB , UniProt , Accession A0A077Z3M9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 447 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M56Low79.8Confident197 Ų197116 Ų11697%0.9758%0.583SS**  0-37.40-63.3-165.6-163.500113.4V3 R4 H5M1-V3 PolarHBondContact O-N 3.02Å; M1-R4 PolarHBondContact O-N 3Å; M1-R4 VanDerWaalsContact O-N 3.16Å; M1-H5 PolarHBondContact O-CD2 3.06Å; M1-H5 PolarHBondContact O-N 3.28Å
2Q62Low81Confident170 Ų170107.3 Ų107.379%0.79454%0.541SS*.Hα-helixtrans-55.1-41.6-174.4-164.7166.9-14.200115.4R4 H5 S6Q2-R4 PolarHBondContact O-N 2.65Å; Q2-H5 PolarHBondContact O-N 2.69Å; Q2-S6 PolarHBondContact O-N 3.49Å; Q2-S6 VanDerWaalsContact O-N 3.16Å; Q2-S6 PolarHBondContact O-OG 3.43Å
3V65.4Low82Confident97 Ų97106.2 Ų106.259%0.58853%0.531SS*.Hα-helixtrans-63.4-39.4178.7179.90000112.4M1 H5 S6 H7M1-V3 PolarHBondContact O-N 3.02Å; V3-H5 VanDerWaalsContact C-N 3.32Å; V3-H5 PolarHBondContact O-N 2.71Å; V3-S6 WeakPolarHBondContact CA-OG 3.36Å; V3-S6 PolarHBondContact O-N 2.71Å; V3-S6 PolarHBondContact O-OG 3.46Å; V3-H7 WeakPolarHBondContact CG1-NE2 3.1Å; V3-H7 PolarHBondContact O-CD2 2.98Å; V3-H7 PolarHBondContact O-N 2.86Å
4R76.3Confident83Confident203 Ų203109.8 Ų109.877%0.76654%0.542SS*.Hα-helixtrans-64.7-38.5177.6-69.5-175.7178.4169.8-1.2111.5M1 Q2 L8M1-R4 PolarHBondContact O-N 3Å; M1-R4 VanDerWaalsContact O-N 3.16Å; Q2-R4 PolarHBondContact O-N 2.65Å; R4-L8 WeakPolarHBondContact O-CG 3.37Å; R4-L8 PolarHBondContact O-N 2.96Å
5H80.8Confident83.8Confident91 Ų91107.9 Ų107.942%0.42153%0.534SS..Hα-helixtrans-68-38.5177.9-65.2-66000112.8M1 Q2 V3 L8 I9M1-H5 PolarHBondContact O-CD2 3.06Å; M1-H5 PolarHBondContact O-N 3.28Å; Q2-H5 PolarHBondContact O-N 2.69Å; V3-H5 VanDerWaalsContact C-N 3.32Å; V3-H5 PolarHBondContact O-N 2.71Å; H5-L8 PolarHBondContact O-N 3.14Å; H5-I9 VanDerWaalsContact O-CG1 3.29Å; H5-I9 WeakPolarHBondContact O-CG1 3.36Å; H5-I9 PolarHBondContact O-N 2.98Å; H5-I9 VanDerWaalsContact O-N 3.08Å
6S84.7Confident84.5Confident59 Ų59102.1 Ų102.141%0.41351%0.507SS..Hα-helixtrans-64.7-42.6177.148.60000111.9Q2 V3 L8 I9 S10Q2-S6 PolarHBondContact O-N 3.49Å; Q2-S6 VanDerWaalsContact O-N 3.16Å; Q2-S6 PolarHBondContact O-OG 3.43Å; V3-S6 WeakPolarHBondContact CA-OG 3.36Å; V3-S6 PolarHBondContact O-N 2.71Å; V3-S6 PolarHBondContact O-OG 3.46Å; S6-L8 VanDerWaalsContact C-N 3.35Å; S6-L8 PolarHBondContact O-N 3.41Å; S6-I9 PolarHBondContact O-N 3.41Å; S6-S10 PolarHBondContact O-N 3.39Å; S6-S10 PolarHBondContact O-OG 2.91Å
7H88.9Confident85.1Confident124 Ų12498.4 Ų98.457%0.57450%0.5SS*.Hα-helixtrans-62.5-40.1176.3-68.3-62.1000112.7V3 S10 L11V3-H7 WeakPolarHBondContact CG1-NE2 3.1Å; V3-H7 PolarHBondContact O-CD2 2.98Å; V3-H7 PolarHBondContact O-N 2.86Å; H7-S10 PolarHBondContact O-N 3.39Å; H7-L11 VanDerWaalsContact O-CB 3.29Å; H7-L11 WeakPolarHBondContact O-CB 3.36Å; H7-L11 PolarHBondContact O-N 3.5Å
8L88.7Confident85.7Confident110 Ų11095.6 Ų95.658%0.57650%0.495SS*.Hα-helixtrans-64.2-40.5177.1-72.4169.5000112.4R4 H5 S6 L11 S12R4-L8 WeakPolarHBondContact O-CG 3.37Å; R4-L8 PolarHBondContact O-N 2.96Å; H5-L8 PolarHBondContact O-N 3.14Å; S6-L8 VanDerWaalsContact C-N 3.35Å; S6-L8 PolarHBondContact O-N 3.41Å; L8-L11 PolarHBondContact O-N 3.21Å; L8-S12 PolarHBondContact O-N 3.24Å
9I90.7Very high86.1Confident39 Ų3991.8 Ų91.820%0.248%0.476CS..Hα-helixtrans-64.4-50.2175.6-67.2167.9000109.8H5 S6 L11 S12 F13 V53 I57H5-I9 VanDerWaalsContact O-CG1 3.29Å; H5-I9 WeakPolarHBondContact O-CG1 3.36Å; H5-I9 PolarHBondContact O-N 2.98Å; H5-I9 VanDerWaalsContact O-N 3.08Å; S6-I9 PolarHBondContact O-N 3.41Å; I9-L11 VanDerWaalsContact C-N 3.28Å; I9-L11 PolarHBondContact O-N 2.92Å; I9-S12 PolarHBondContact O-N 3.48Å; I9-S12 VanDerWaalsContact O-N 3.11Å; I9-S12 PolarHBondContact O-OG 3.32Å; I9-F13 HydrophobicContact CG2-CD2 3.82Å; I9-F13 HydrophobicContact CG2-CE2 3.71Å; I9-F13 VanDerWaalsContact O-CD2 3.31Å; I9-F13 WeakPolarHBondContact O-CD2 3.31Å; I9-F13 PolarHBondContact O-N 3.32Å; I9-F13 VanDerWaalsContact O-N 3.14Å; I9-V53 HydrophobicContact CB-CG1 4.44Å; I9-V53 HydrophobicContact CG1-CG1 4.11Å; I9-V53 HydrophobicContact CG2-CG1 4.04Å; I9-I57 HydrophobicContact CD1-CG1 4.45Å; I9-I57 HydrophobicContact CG2-CD1 3.93Å
10S91.5Very high86.6Confident79 Ų7990.2 Ų90.255%0.55247%0.468SS*.Hα-helixtrans-58.8-40.4178.5-61.80000112.3S6 H7 S12 F13 F14S6-S10 PolarHBondContact O-N 3.39Å; S6-S10 PolarHBondContact O-OG 2.91Å; H7-S10 PolarHBondContact O-N 3.39Å; S10-S12 PolarHBondContact O-N 2.9Å; S10-F13 PolarHBondContact O-N 3.36Å; S10-F14 WeakPolarHBondContact O-CB 3.46Å; S10-F14 PolarHBondContact O-N 2.78Å
11L93.2Very high86.9Confident107 Ų10788.8 Ų88.856%0.5647%0.47SS*.Hα-helixtrans-62.7-40176.1-178.663.1000112.1H7 L8 I9 F14 L15H7-L11 VanDerWaalsContact O-CB 3.29Å; H7-L11 WeakPolarHBondContact O-CB 3.36Å; H7-L11 PolarHBondContact O-N 3.5Å; L8-L11 PolarHBondContact O-N 3.21Å; I9-L11 VanDerWaalsContact C-N 3.28Å; I9-L11 PolarHBondContact O-N 2.92Å; L11-F14 PolarHBondContact O-N 3.47Å; L11-L15 WeakPolarHBondContact O-CB 3.39Å; L11-L15 PolarHBondContact O-N 3.47Å
12S93.3Very high88.7Confident11 Ų1182.8 Ų82.88%0.07744%0.442CS..Hα-helixtrans-66.6-41.5179.285.60000112.2L8 I9 S10 L15 T16 Q50L8-S12 PolarHBondContact O-N 3.24Å; I9-S12 PolarHBondContact O-N 3.48Å; I9-S12 VanDerWaalsContact O-N 3.11Å; I9-S12 PolarHBondContact O-OG 3.32Å; S10-S12 PolarHBondContact O-N 2.9Å; S12-L15 PolarHBondContact O-N 3.18Å; S12-T16 WeakPolarHBondContact O-CB 3.3Å; S12-T16 PolarHBondContact O-N 2.66Å; S12-T16 PolarHBondContact O-OG1 3.28Å; S12-Q50 VanDerWaalsContact C-OE1 3.28Å; S12-Q50 PolarHBondContact O-OE1 3.23Å; S12-Q50 PolarHBondContact OG-OE1 2.98Å
13F95.1Very high90.1Very high94 Ų9474.7 Ų74.741%0.41240%0.404SS..Hα-helixtrans-64.5-41.8176-84.2-82.1000111.5I9 S10 T16 G17 Q50 V53 L54 I57I9-F13 HydrophobicContact CG2-CD2 3.82Å; I9-F13 HydrophobicContact CG2-CE2 3.71Å; I9-F13 VanDerWaalsContact O-CD2 3.31Å; I9-F13 WeakPolarHBondContact O-CD2 3.31Å; I9-F13 PolarHBondContact O-N 3.32Å; I9-F13 VanDerWaalsContact O-N 3.14Å; S10-F13 PolarHBondContact O-N 3.36Å; F13-T16 PolarHBondContact O-N 2.92Å; F13-G17 PolarHBondContact O-N 3.44Å; F13-Q50 VanDerWaalsContact CZ-NE2 3.27Å; F13-V53 HydrophobicContact CE2-CG1 4.29Å; F13-L54 HydrophobicContact CE1-CD2 4.32Å; F13-L54 HydrophobicContact CZ-CD2 3.84Å; F13-I57 HydrophobicContact CE2-CD1 3.79Å; F13-I57 HydrophobicContact CZ-CD1 4.11Å
14F95.5Very high91.5Very high156 Ų15673.9 Ų73.968%0.68439%0.393SS*.Hα-helixtrans-61.8-48.7175.4-179.6-97000111.6S10 L11 T16 G17 A18S10-F14 WeakPolarHBondContact O-CB 3.46Å; S10-F14 PolarHBondContact O-N 2.78Å; L11-F14 PolarHBondContact O-N 3.47Å; F14-T16 VanDerWaalsContact C-N 3.34Å; F14-T16 PolarHBondContact O-N 2.93Å; F14-G17 PolarHBondContact O-N 2.99Å; F14-A18 WeakPolarHBondContact O-CB 3.41Å; F14-A18 PolarHBondContact O-N 3.29Å
15L94.6Very high92.3Very high81 Ų8173.6 Ų73.642%0.42439%0.393SS..Hα-helixtrans-61.5-42.1179.1-174.564.9000111.8L11 S12 A18 V19 V46L11-L15 WeakPolarHBondContact O-CB 3.39Å; L11-L15 PolarHBondContact O-N 3.47Å; S12-L15 PolarHBondContact O-N 3.18Å; L15-A18 PolarHBondContact O-N 3.11Å; L15-V19 WeakPolarHBondContact O-CG2 3.17Å; L15-V19 PolarHBondContact O-N 3.1Å; L15-V46 HydrophobicContact CD2-CG1 4.15Å; L15-V46 HydrophobicContact CD2-CG2 3.77Å; L15-V46 HydrophobicContact CG-CG1 3.93Å; L15-V46 HydrophobicContact CG-CG2 4.02Å
16T94.8Very high92.8Very high15 Ų1573.8 Ų73.89%0.09239%0.394CS..Hα-helixtrans-62.9-45.9175.4-55.50000111S12 F13 F14 A18 V19 L20 L47 Q50S12-T16 WeakPolarHBondContact O-CB 3.3Å; S12-T16 PolarHBondContact O-N 2.66Å; S12-T16 PolarHBondContact O-OG1 3.28Å; F13-T16 PolarHBondContact O-N 2.92Å; F14-T16 VanDerWaalsContact C-N 3.34Å; F14-T16 PolarHBondContact O-N 2.93Å; T16-A18 VanDerWaalsContact C-N 3.32Å; T16-A18 PolarHBondContact O-N 2.97Å; T16-V19 PolarHBondContact O-N 3.28Å; T16-L20 HydrophobicContact CG2-CD1 4.03Å; T16-L20 HydrophobicContact CG2-CG 4.31Å; T16-L20 WeakPolarHBondContact O-CB 3.48Å; T16-L20 VanDerWaalsContact O-CG 3.29Å; T16-L20 WeakPolarHBondContact O-CG 3.48Å; T16-L20 PolarHBondContact O-N 3.07Å; T16-L47 HydrophobicContact CG2-CD2 4.27Å; T16-Q50 HydrophobicContact CG2-CB 4.38Å; T16-Q50 HydrophobicContact CG2-CG 4.07Å; T16-Q50 WeakPolarHBondContact OG1-CB 3.34Å; T16-Q50 WeakPolarHBondContact OG1-CG 3.41Å; T16-Q50 PolarHBondContact OG1-OE1 3.28Å
17G95.2Very high93.1Very high39 Ų3976.9 Ų76.940%0.40240%0.397SS..Hα-helixtrans-57.4-44.2175.400000112.2F13 F14 L20 A21F13-G17 PolarHBondContact O-N 3.44Å; F14-G17 PolarHBondContact O-N 2.99Å; G17-L20 PolarHBondContact O-N 3.02Å; G17-A21 VanDerWaalsContact O-CB 3.23Å; G17-A21 WeakPolarHBondContact O-CB 3.25Å; G17-A21 PolarHBondContact O-N 3.16Å
18A95Very high93.1Very high48 Ų4880 Ų8040%0.39741%0.408SS..Hα-helixtrans-63.8-43.2177.400000112.7F14 L15 T16 A21 N22F14-A18 WeakPolarHBondContact O-CB 3.41Å; F14-A18 PolarHBondContact O-N 3.29Å; L15-A18 PolarHBondContact O-N 3.11Å; T16-A18 VanDerWaalsContact C-N 3.32Å; T16-A18 PolarHBondContact O-N 2.97Å; A18-A21 PolarHBondContact O-N 3.11Å; A18-N22 VanDerWaalsContact O-CB 3.3Å; A18-N22 WeakPolarHBondContact O-CB 3.36Å; A18-N22 PolarHBondContact O-N 3.34Å
19V94.9Very high93.2Very high24 Ų2481 Ų8115%0.14541%0.41CS..Hα-helixtrans-64.8-45177.3168.20000111.5L15 T16 N22 A23 L37 V46L15-V19 WeakPolarHBondContact O-CG2 3.17Å; L15-V19 PolarHBondContact O-N 3.1Å; T16-V19 PolarHBondContact O-N 3.28Å; V19-N22 PolarHBondContact O-N 3.04Å; V19-A23 WeakPolarHBondContact O-CB 3.41Å; V19-A23 PolarHBondContact O-N 2.93Å; V19-L37 HydrophobicContact CG1-CD2 3.73Å; V19-V46 HydrophobicContact CG2-CB 4.28Å; V19-V46 HydrophobicContact CG2-CG1 4.12Å; V19-V46 HydrophobicContact CG2-CG2 4.1Å
20L94.6Very high93.3Very high59 Ų5985.9 Ų85.931%0.30943%0.43SS..Hα-helixtrans-63-47.2176.5-68177.6000110.8T16 G17 N22 A23 F24 L37T16-L20 HydrophobicContact CG2-CD1 4.03Å; T16-L20 HydrophobicContact CG2-CG 4.31Å; T16-L20 WeakPolarHBondContact O-CB 3.48Å; T16-L20 VanDerWaalsContact O-CG 3.29Å; T16-L20 WeakPolarHBondContact O-CG 3.48Å; T16-L20 PolarHBondContact O-N 3.07Å; G17-L20 PolarHBondContact O-N 3.02Å; L20-N22 PolarHBondContact O-N 3.45Å; L20-A23 PolarHBondContact O-N 3.02Å; L20-F24 VanDerWaalsContact O-CD2 3.25Å; L20-F24 WeakPolarHBondContact O-CD2 3.36Å; L20-F24 PolarHBondContact O-N 3.42Å; L20-L37 HydrophobicContact CD2-CD1 3.48Å; L20-L37 VanDerWaalsContact CD2-CD1 3.48Å; L20-L37 HydrophobicContact CD2-CD2 4.17Å; L20-L37 HydrophobicContact CD2-CG 4.49Å
21A93.9Very high93.4Very high62 Ų6290.6 Ų90.651%0.51244%0.437SS..Hα-helixtrans-59.7-44.217800000112G17 A18 A23 F24 Y25G17-A21 VanDerWaalsContact O-CB 3.23Å; G17-A21 WeakPolarHBondContact O-CB 3.25Å; G17-A21 PolarHBondContact O-N 3.16Å; A18-A21 PolarHBondContact O-N 3.11Å; A21-A23 PolarHBondContact O-N 3.41Å; A21-F24 PolarHBondContact O-N 2.97Å; A21-Y25 VanDerWaalsContact O-CB 3.31Å; A21-Y25 WeakPolarHBondContact O-CB 3.5Å; A21-Y25 PolarHBondContact O-N 3.29Å
22N92.9Very high93.4Very high70 Ų7087.4 Ų87.437%0.37442%0.423SS..Hα-helixtrans-63-41.4176.1179.450.6000112.1A18 V19 L20 Y25 Q26A18-N22 VanDerWaalsContact O-CB 3.3Å; A18-N22 WeakPolarHBondContact O-CB 3.36Å; A18-N22 PolarHBondContact O-N 3.34Å; V19-N22 PolarHBondContact O-N 3.04Å; L20-N22 PolarHBondContact O-N 3.45Å; N22-Y25 PolarHBondContact O-N 3.43Å; N22-Q26 PolarHBondContact ND2-NE2 3.47Å; N22-Q26 WeakPolarHBondContact O-CG 3.37Å; N22-Q26 PolarHBondContact O-N 3.47Å; N22-Q26 PolarHBondContact OD1-NE2 2.93Å
23A92.8Very high93.4Very high0 Ų086.9 Ų86.90%042%0.419CS..Hα-helixtrans-62.1-46.2176.700000112V19 L20 A21 Q26 R27 S33 Y36 L37V19-A23 WeakPolarHBondContact O-CB 3.41Å; V19-A23 PolarHBondContact O-N 2.93Å; L20-A23 PolarHBondContact O-N 3.02Å; A21-A23 PolarHBondContact O-N 3.41Å; A23-Q26 PolarHBondContact O-N 2.87Å; A23-R27 WeakPolarHBondContact O-CB 3.49Å; A23-R27 PolarHBondContact O-N 3.08Å; A23-R27 VanDerWaalsContact O-N 3.14Å; A23-S33 PolarHBondContact O-OG 2.84Å; A23-Y36 HydrophobicContact CB-CD1 3.75Å; A23-Y36 HydrophobicContact CB-CE1 4.17Å; A23-L37 HydrophobicContact CB-CD1 4.25Å; A23-L37 HydrophobicContact CB-CD2 3.74Å; A23-L37 HydrophobicContact CB-CG 3.82Å
24F94.1Very high93.3Very high81 Ų8185.5 Ų85.536%0.35542%0.415SS..Hα-helixtrans-65.4-38.6176.4-84-73.3000112.4L20 A21 K28 F30 M34L20-F24 VanDerWaalsContact O-CD2 3.25Å; L20-F24 WeakPolarHBondContact O-CD2 3.36Å; L20-F24 PolarHBondContact O-N 3.42Å; A21-F24 PolarHBondContact O-N 2.97Å; F24-K28 WeakPolarHBondContact O-CA 3.43Å; F24-K28 PolarHBondContact O-N 3.19Å; F24-F30 HydrophobicContact CE1-CD2 4.13Å; F24-F30 HydrophobicContact CZ-CD2 4.02Å; F24-M34 HydrophobicContact CE2-CE 4.19Å; F24-M34 HydrophobicContact CZ-CE 3.86Å
25Y93.6Very high93.1Very high196 Ų19680 Ų8077%0.76939%0.394SS*.Hα-helixtrans-63.1-45.5177.4-176.8-98.1000112.1A21 N22A21-Y25 VanDerWaalsContact O-CB 3.31Å; A21-Y25 WeakPolarHBondContact O-CB 3.5Å; A21-Y25 PolarHBondContact O-N 3.29Å; N22-Y25 PolarHBondContact O-N 3.43Å
26Q91.6Very high92.9Very high95 Ų9578.9 Ų78.944%0.44438%0.384SS..Hα-helixtrans-70.1-38-178.6-70.6-177.71700113.3N22 A23N22-Q26 PolarHBondContact ND2-NE2 3.47Å; N22-Q26 WeakPolarHBondContact O-CG 3.37Å; N22-Q26 PolarHBondContact O-N 3.47Å; N22-Q26 PolarHBondContact OD1-NE2 2.93Å; A23-Q26 PolarHBondContact O-N 2.87Å
27R90.9Very high92.8Very high124 Ų12478.3 Ų78.347%0.46838%0.381SS..Hα-helixtrans-101.8-17.1-169.6-64.5-60.3178.6-175.6-3.8114.2A23 Q29 P32 S33A23-R27 WeakPolarHBondContact O-CB 3.49Å; A23-R27 PolarHBondContact O-N 3.08Å; A23-R27 VanDerWaalsContact O-N 3.14Å; R27-Q29 PolarHBondContact O-N 3.04Å; R27-P32 HydrophobicContact CB-CB 4.13Å; R27-P32 HydrophobicContact CG-CB 4.34Å; R27-S33 WeakPolarHBondContact CB-OG 3.46Å
28K87.4Confident92.5Very high189 Ų18980.7 Ų80.782%0.82239%0.388SS*.  trans57-21.1179.5-58.8-174.2179.2-177.90116.7F24F24-K28 WeakPolarHBondContact O-CA 3.43Å; F24-K28 PolarHBondContact O-N 3.19Å
29Q91.8Very high92.3Very high132 Ų13286.3 Ų86.362%0.61740%0.403SS*.SBendtrans-114.9148.8-179.8-67.6-179.3-16.600110.4R27 P32 S33R27-Q29 PolarHBondContact O-N 3.04Å; Q29-P32 HydrophobicContact CB-CG 4.08Å; Q29-S33 WeakPolarHBondContact O-CB 3.23Å; Q29-S33 PolarHBondContact O-N 2.75Å; Q29-S33 PolarHBondContact O-OG 3.06Å
30F93.1Very high92.1Very high142 Ų14286 Ų8662%0.62340%0.402SS*.Hα-helixtrans-61.1-52.5-177.2177-97.2000113.1F24 S33 M34F24-F30 HydrophobicContact CE1-CD2 4.13Å; F24-F30 HydrophobicContact CZ-CD2 4.02Å; F30-S33 WeakPolarHBondContact O-CB 3.48Å; F30-S33 PolarHBondContact O-N 2.84Å; F30-M34 HydrophobicContact CD1-CG 4.41Å; F30-M34 HydrophobicContact CD2-CE 4.04Å; F30-M34 HydrophobicContact CD2-CG 4.48Å; F30-M34 HydrophobicContact CE1-CG 4.03Å; F30-M34 HydrophobicContact CE2-CE 3.5Å; F30-M34 HydrophobicContact CE2-CG 4.13Å; F30-M34 HydrophobicContact CZ-CE 4.03Å; F30-M34 HydrophobicContact CZ-CG 3.88Å; F30-M34 HydrophobicContact CZ-SD 4.5Å; F30-M34 WeakPolarHBondContact O-CG 3.25Å; F30-M34 PolarHBondContact O-N 3.46Å
31Y93.8Very high92Very high178 Ų17889.9 Ų89.970%0.69842%0.423SS*.Hα-helixtrans-62.3-49.8-173.9178.7-92.8000113.1S33 M34 V35Y31-S33 VanDerWaalsContact C-N 3.28Å; Y31-S33 PolarHBondContact O-N 3.48Å; Y31-M34 PolarHBondContact O-N 3.01Å; Y31-V35 HydrophobicContact CD1-CG2 4.28Å; Y31-V35 HydrophobicContact CE1-CG2 3.89Å; Y31-V35 HydrophobicContact CE2-CG2 4.47Å; Y31-V35 WeakPolarHBondContact O-CG2 3.33Å; Y31-V35 PolarHBondContact O-N 3.24Å
32P93.1Very high91.9Very high39 Ų3991.3 Ų91.325%0.25343%0.427SS..Hα-helixtrans-66-28.4177.2-18.732.3000113.4R27 Q29 V35 Y36R27-P32 HydrophobicContact CB-CB 4.13Å; R27-P32 HydrophobicContact CG-CB 4.34Å; Q29-P32 HydrophobicContact CB-CG 4.08Å; P32-V35 PolarHBondContact O-N 3.03Å; P32-Y36 WeakPolarHBondContact O-CB 3.44Å; P32-Y36 PolarHBondContact O-N 3.06Å
33S92.5Very high91.8Very high0 Ų088.3 Ų88.30%041%0.412CS..Hα-helixtrans-63.6-45.3172.6-56.60000111.3A23 R27 Q29 F30 Y31 Y36 L37A23-S33 PolarHBondContact O-OG 2.84Å; R27-S33 WeakPolarHBondContact CB-OG 3.46Å; Q29-S33 WeakPolarHBondContact O-CB 3.23Å; Q29-S33 PolarHBondContact O-N 2.75Å; Q29-S33 PolarHBondContact O-OG 3.06Å; F30-S33 WeakPolarHBondContact O-CB 3.48Å; F30-S33 PolarHBondContact O-N 2.84Å; Y31-S33 VanDerWaalsContact C-N 3.28Å; Y31-S33 PolarHBondContact O-N 3.48Å; S33-Y36 WeakPolarHBondContact O-CB 3.45Å; S33-Y36 PolarHBondContact O-N 3.03Å; S33-L37 WeakPolarHBondContact O-CG 3.4Å; S33-L37 PolarHBondContact O-N 3.19Å
34M92.3Very high91.7Very high66 Ų6690.2 Ų90.233%0.32542%0.421SS..Hα-helixtrans-66-38177.3-66.8-59.6153.100112.3F24 F30 Y31 L37 T38F24-M34 HydrophobicContact CE2-CE 4.19Å; F24-M34 HydrophobicContact CZ-CE 3.86Å; F30-M34 HydrophobicContact CD1-CG 4.41Å; F30-M34 HydrophobicContact CD2-CE 4.04Å; F30-M34 HydrophobicContact CD2-CG 4.48Å; F30-M34 HydrophobicContact CE1-CG 4.03Å; F30-M34 HydrophobicContact CE2-CE 3.5Å; F30-M34 HydrophobicContact CE2-CG 4.13Å; F30-M34 HydrophobicContact CZ-CE 4.03Å; F30-M34 HydrophobicContact CZ-CG 3.88Å; F30-M34 HydrophobicContact CZ-SD 4.5Å; F30-M34 WeakPolarHBondContact O-CG 3.25Å; F30-M34 PolarHBondContact O-N 3.46Å; Y31-M34 PolarHBondContact O-N 3.01Å; M34-L37 HydrophobicContact CE-CD1 4.35Å; M34-L37 PolarHBondContact O-N 3.38Å; M34-L37 HydrophobicContact SD-CD1 4.03Å; M34-T38 WeakPolarHBondContact O-CG2 3.4Å; M34-T38 PolarHBondContact O-N 3.42Å; M34-T38 PolarHBondContact O-OG1 2.71Å
35V91.8Very high91.6Very high40 Ų4088.7 Ų88.724%0.24242%0.423CS..Hα-helixtrans-65.3-39.8173.5176.60000111.2Y31 P32 T38 K39Y31-V35 HydrophobicContact CD1-CG2 4.28Å; Y31-V35 HydrophobicContact CE1-CG2 3.89Å; Y31-V35 HydrophobicContact CE2-CG2 4.47Å; Y31-V35 WeakPolarHBondContact O-CG2 3.33Å; Y31-V35 PolarHBondContact O-N 3.24Å; P32-V35 PolarHBondContact O-N 3.03Å; V35-T38 WeakPolarHBondContact CA-OG1 3.35Å; V35-T38 PolarHBondContact O-N 2.63Å; V35-T38 PolarHBondContact O-OG1 2.89Å; V35-T38 VanDerWaalsContact O-OG1 3.08Å; V35-K39 HydrophobicContact CG1-CD 3.87Å; V35-K39 HydrophobicContact CG1-CG 4.33Å; V35-K39 WeakPolarHBondContact O-CB 3.3Å; V35-K39 WeakPolarHBondContact O-CG 3.49Å; V35-K39 PolarHBondContact O-N 3.18Å
36Y91.8Very high91.6Very high57 Ų5780.2 Ų80.222%0.22439%0.392CS..Hα-helixtrans-63.5-45.2175.3173.6-98.7000112.2A23 P32 S33 T38 K39 S40A23-Y36 HydrophobicContact CB-CD1 3.75Å; A23-Y36 HydrophobicContact CB-CE1 4.17Å; P32-Y36 WeakPolarHBondContact O-CB 3.44Å; P32-Y36 PolarHBondContact O-N 3.06Å; S33-Y36 WeakPolarHBondContact O-CB 3.45Å; S33-Y36 PolarHBondContact O-N 3.03Å; Y36-T38 VanDerWaalsContact C-N 3.3Å; Y36-T38 PolarHBondContact O-N 3.28Å; Y36-K39 PolarHBondContact O-N 3.22Å; Y36-S40 WeakPolarHBondContact O-CB 3.41Å; Y36-S40 PolarHBondContact O-N 3.47Å; Y36-S40 PolarHBondContact O-OG 3.29Å
37L92.4Very high91.6Very high4 Ų478.3 Ų78.32%0.02138%0.384CS..Hα-helixtrans-61.4-39.2178.1-72.6169.1000112.1V19 L20 A23 S33 M34 M44 L47V19-L37 HydrophobicContact CG1-CD2 3.73Å; L20-L37 HydrophobicContact CD2-CD1 3.48Å; L20-L37 VanDerWaalsContact CD2-CD1 3.48Å; L20-L37 HydrophobicContact CD2-CD2 4.17Å; L20-L37 HydrophobicContact CD2-CG 4.49Å; A23-L37 HydrophobicContact CB-CD1 4.25Å; A23-L37 HydrophobicContact CB-CD2 3.74Å; A23-L37 HydrophobicContact CB-CG 3.82Å; S33-L37 WeakPolarHBondContact O-CG 3.4Å; S33-L37 PolarHBondContact O-N 3.19Å; M34-L37 HydrophobicContact CE-CD1 4.35Å; M34-L37 PolarHBondContact O-N 3.38Å; M34-L37 HydrophobicContact SD-CD1 4.03Å; L37-M44 VanDerWaalsContact O-CG 3.25Å; L37-M44 WeakPolarHBondContact O-CG 3.5Å; L37-M44 VanDerWaalsContact O-SD 3.4Å; L37-L47 HydrophobicContact CB-CD1 4.36Å
38T89Confident91.6Very high89 Ų8978.7 Ų78.755%0.54639%0.387SS..Hα-helixtrans-79.3-25.5-17950.40000114.3M34 V35 Y36 M44M34-T38 WeakPolarHBondContact O-CG2 3.4Å; M34-T38 PolarHBondContact O-N 3.42Å; M34-T38 PolarHBondContact O-OG1 2.71Å; V35-T38 WeakPolarHBondContact CA-OG1 3.35Å; V35-T38 PolarHBondContact O-N 2.63Å; V35-T38 PolarHBondContact O-OG1 2.89Å; V35-T38 VanDerWaalsContact O-OG1 3.08Å; Y36-T38 VanDerWaalsContact C-N 3.3Å; Y36-T38 PolarHBondContact O-N 3.28Å; T38-M44 HydrophobicContact CG2-SD 4.48Å; T38-M44 WeakPolarHBondContact O-CG 3.49Å
39K90Very high91.8Very high166 Ų16674.1 Ų74.172%0.72237%0.371SS*.Hα-helixtrans-91.9-23.1178.6-71.6-173176.4-1760114.3V35 Y36V35-K39 HydrophobicContact CG1-CD 3.87Å; V35-K39 HydrophobicContact CG1-CG 4.33Å; V35-K39 WeakPolarHBondContact O-CB 3.3Å; V35-K39 WeakPolarHBondContact O-CG 3.49Å; V35-K39 PolarHBondContact O-N 3.18Å; Y36-K39 PolarHBondContact O-N 3.22Å
40S91.8Very high91.9Very high18 Ų1868.5 Ų68.513%0.12634%0.344CS..  trans-86.6113.4-178.854.10000111.3Y36 P42 S43 M44Y36-S40 WeakPolarHBondContact O-CB 3.41Å; Y36-S40 PolarHBondContact O-N 3.47Å; Y36-S40 PolarHBondContact O-OG 3.29Å; S40-P42 VanDerWaalsContact C-CD 3.45Å; S40-S43 PolarHBondContact O-N 2.89Å; S40-S43 WeakPolarHBondContact OG-CB 3.28Å; S40-S43 PolarHBondContact OG-OG 2.91Å; S40-M44 PolarHBondContact O-N 2.99Å
41N91.7Very high91.8Very high140 Ų14064.1 Ų64.175%0.74933%0.334SS*.Hα-helixtrans-46.6-47175.4-70.7-22.7000114.3M44 A45N41-M44 PolarHBondContact O-N 3.48Å; N41-A45 WeakPolarHBondContact O-CB 3.28Å; N41-A45 PolarHBondContact O-N 3.48Å
42P92.3Very high91.7Very high91 Ų9162.6 Ų62.659%0.59133%0.331SS*.Hα-helixtrans-67.7-41.2-179.625.5-34.5000112.7S40 M44 A45 V46S40-P42 VanDerWaalsContact C-CD 3.45Å; P42-M44 VanDerWaalsContact C-N 3.35Å; P42-A45 PolarHBondContact O-N 3.23Å; P42-V46 WeakPolarHBondContact O-CG2 3.37Å; P42-V46 PolarHBondContact O-N 3.34Å; P42-V46 VanDerWaalsContact O-N 3.11Å
43S91.1Very high91.7Very high8 Ų861.5 Ų61.56%0.05632%0.324CS..Hα-helixtrans-65.6-41.3178-47.60000110.9S40 A45 V46 L47S40-S43 PolarHBondContact O-N 2.89Å; S40-S43 WeakPolarHBondContact OG-CB 3.28Å; S40-S43 PolarHBondContact OG-OG 2.91Å; S43-A45 VanDerWaalsContact C-N 3.35Å; S43-A45 PolarHBondContact O-N 3.47Å; S43-V46 PolarHBondContact O-N 2.97Å; S43-L47 WeakPolarHBondContact O-CG 3.5Å; S43-L47 PolarHBondContact O-N 3.11Å
44M89.5Confident91.7Very high40 Ų4065.6 Ų65.620%0.19735%0.346CS..Hα-helixtrans-60.2-42.1173.9-78.7-58.9-71.600112.4L37 T38 S40 N41 P42 V46 L47 Y48L37-M44 VanDerWaalsContact O-CG 3.25Å; L37-M44 WeakPolarHBondContact O-CG 3.5Å; L37-M44 VanDerWaalsContact O-SD 3.4Å; T38-M44 HydrophobicContact CG2-SD 4.48Å; T38-M44 WeakPolarHBondContact O-CG 3.49Å; S40-M44 PolarHBondContact O-N 2.99Å; N41-M44 PolarHBondContact O-N 3.48Å; P42-M44 VanDerWaalsContact C-N 3.35Å; M44-V46 PolarHBondContact O-N 2.92Å; M44-L47 PolarHBondContact O-N 3.43Å; M44-L47 HydrophobicContact SD-CD1 4.3Å; M44-Y48 HydrophobicContact CB-CE2 4.34Å; M44-Y48 HydrophobicContact CE-CE1 4.16Å; M44-Y48 HydrophobicContact CE-CE2 3.82Å; M44-Y48 VanDerWaalsContact CE-CZ 3.48Å; M44-Y48 VanDerWaalsContact CE-OH 3.23Å; M44-Y48 WeakPolarHBondContact CE-OH 3.43Å; M44-Y48 WeakPolarHBondContact O-CD2 3.32Å; M44-Y48 PolarHBondContact O-N 3.03Å
45A91.2Very high91.7Very high48 Ų4864.9 Ų64.940%0.39735%0.345SS..Hα-helixtrans-60.5-43.9176.400000111.9N41 P42 S43 L47 Y48 I49N41-A45 WeakPolarHBondContact O-CB 3.28Å; N41-A45 PolarHBondContact O-N 3.48Å; P42-A45 PolarHBondContact O-N 3.23Å; S43-A45 VanDerWaalsContact C-N 3.35Å; S43-A45 PolarHBondContact O-N 3.47Å; A45-L47 VanDerWaalsContact C-N 3.35Å; A45-L47 PolarHBondContact O-N 3.41Å; A45-Y48 PolarHBondContact O-N 2.89Å; A45-I49 WeakPolarHBondContact O-CG1 3.23Å; A45-I49 PolarHBondContact O-N 3.42Å
46V93.8Very high91.7Very high19 Ų1965.3 Ų65.312%0.11535%0.347CS..Hα-helixtrans-61.9-42.9175.41750000111.1L15 V19 P42 S43 M44 Y48 I49 Q50L15-V46 HydrophobicContact CD2-CG1 4.15Å; L15-V46 HydrophobicContact CD2-CG2 3.77Å; L15-V46 HydrophobicContact CG-CG1 3.93Å; L15-V46 HydrophobicContact CG-CG2 4.02Å; V19-V46 HydrophobicContact CG2-CB 4.28Å; V19-V46 HydrophobicContact CG2-CG1 4.12Å; V19-V46 HydrophobicContact CG2-CG2 4.1Å; P42-V46 WeakPolarHBondContact O-CG2 3.37Å; P42-V46 PolarHBondContact O-N 3.34Å; P42-V46 VanDerWaalsContact O-N 3.11Å; S43-V46 PolarHBondContact O-N 2.97Å; M44-V46 PolarHBondContact O-N 2.92Å; V46-Y48 PolarHBondContact O-N 3.46Å; V46-I49 PolarHBondContact O-N 2.87Å; V46-Q50 WeakPolarHBondContact O-CB 3.29Å; V46-Q50 PolarHBondContact O-N 3.22Å
47L92Very high91.7Very high54 Ų5464.8 Ų64.828%0.28335%0.348SS..Hα-helixtrans-63.3-38.9176.5-68.7177.9000112.6T16 L37 S43 M44 A45 Q50 A51T16-L47 HydrophobicContact CG2-CD2 4.27Å; L37-L47 HydrophobicContact CB-CD1 4.36Å; S43-L47 WeakPolarHBondContact O-CG 3.5Å; S43-L47 PolarHBondContact O-N 3.11Å; M44-L47 PolarHBondContact O-N 3.43Å; M44-L47 HydrophobicContact SD-CD1 4.3Å; A45-L47 VanDerWaalsContact C-N 3.35Å; A45-L47 PolarHBondContact O-N 3.41Å; L47-Q50 PolarHBondContact O-N 3.41Å; L47-A51 WeakPolarHBondContact O-CB 3.41Å; L47-A51 PolarHBondContact O-N 3.33Å
48Y90.9Very high91.7Very high133 Ų13369.1 Ų69.152%0.52237%0.371SS..Hα-helixtrans-66.9-41.9175.2-70.9-46.1000112.6M44 A45 V46 Q50 A51 F52M44-Y48 HydrophobicContact CB-CE2 4.34Å; M44-Y48 HydrophobicContact CE-CE1 4.16Å; M44-Y48 HydrophobicContact CE-CE2 3.82Å; M44-Y48 VanDerWaalsContact CE-CZ 3.48Å; M44-Y48 VanDerWaalsContact CE-OH 3.23Å; M44-Y48 WeakPolarHBondContact CE-OH 3.43Å; M44-Y48 WeakPolarHBondContact O-CD2 3.32Å; M44-Y48 PolarHBondContact O-N 3.03Å; A45-Y48 PolarHBondContact O-N 2.89Å; V46-Y48 PolarHBondContact O-N 3.46Å; Y48-Q50 VanDerWaalsContact C-N 3.29Å; Y48-Q50 PolarHBondContact O-N 3.41Å; Y48-A51 PolarHBondContact O-N 3.33Å; Y48-F52 PolarHBondContact O-N 3.25Å
49I91.7Very high91.9Very high93 Ų9366 Ų6648%0.47735%0.354SS..Hα-helixtrans-60.6-43.5173.8-68.4166000109.9A45 V46 A51 F52 V53A45-I49 WeakPolarHBondContact O-CG1 3.23Å; A45-I49 PolarHBondContact O-N 3.42Å; V46-I49 PolarHBondContact O-N 2.87Å; I49-A51 PolarHBondContact O-N 2.81Å; I49-F52 WeakPolarHBondContact O-CB 3.2Å; I49-F52 PolarHBondContact O-N 2.91Å; I49-V53 WeakPolarHBondContact O-CG2 3.4Å; I49-V53 PolarHBondContact O-N 3.18Å
50Q94.4Very high92Very high13 Ų1363.2 Ų63.26%0.06134%0.342CS..Hα-helixtrans-64.3-41.2177.8-173.560.331.900112.1S12 F13 T16 V46 L47 Y48 F52 V53 L54S12-Q50 VanDerWaalsContact C-OE1 3.28Å; S12-Q50 PolarHBondContact O-OE1 3.23Å; S12-Q50 PolarHBondContact OG-OE1 2.98Å; F13-Q50 VanDerWaalsContact CZ-NE2 3.27Å; T16-Q50 HydrophobicContact CG2-CB 4.38Å; T16-Q50 HydrophobicContact CG2-CG 4.07Å; T16-Q50 WeakPolarHBondContact OG1-CB 3.34Å; T16-Q50 WeakPolarHBondContact OG1-CG 3.41Å; T16-Q50 PolarHBondContact OG1-OE1 3.28Å; V46-Q50 WeakPolarHBondContact O-CB 3.29Å; V46-Q50 PolarHBondContact O-N 3.22Å; L47-Q50 PolarHBondContact O-N 3.41Å; Y48-Q50 VanDerWaalsContact C-N 3.29Å; Y48-Q50 PolarHBondContact O-N 3.41Å; Q50-F52 VanDerWaalsContact C-N 3.31Å; Q50-F52 PolarHBondContact O-N 3.48Å; Q50-V53 PolarHBondContact O-N 3.13Å; Q50-L54 HydrophobicContact CG-CD1 4.49Å; Q50-L54 WeakPolarHBondContact O-CG 3.5Å; Q50-L54 PolarHBondContact O-N 3.17Å
51A91.6Very high92Very high50 Ų5067.1 Ų67.141%0.41336%0.36SS..Hα-helixtrans-59.4-43.1174.600000111.5L47 Y48 I49 L54 V55L47-A51 WeakPolarHBondContact O-CB 3.41Å; L47-A51 PolarHBondContact O-N 3.33Å; Y48-A51 PolarHBondContact O-N 3.33Å; I49-A51 PolarHBondContact O-N 2.81Å; A51-L54 PolarHBondContact O-N 2.9Å; A51-V55 WeakPolarHBondContact O-CG2 3.49Å; A51-V55 PolarHBondContact O-N 3.37Å
52F91Very high92Very high146 Ų14661.6 Ų61.664%0.6433%0.33SS*.Hα-helixtrans-60.8-45.4174.6-177.8-98.7000111.9Y48 I49 Q50 L54 V55 T56Y48-F52 PolarHBondContact O-N 3.25Å; I49-F52 WeakPolarHBondContact O-CB 3.2Å; I49-F52 PolarHBondContact O-N 2.91Å; Q50-F52 VanDerWaalsContact C-N 3.31Å; Q50-F52 PolarHBondContact O-N 3.48Å; F52-L54 PolarHBondContact O-N 2.95Å; F52-V55 PolarHBondContact O-N 2.91Å; F52-T56 HydrophobicContact CD1-CG2 4.34Å; F52-T56 HydrophobicContact CE1-CG2 3.98Å; F52-T56 HydrophobicContact CZ-CG2 4.22Å; F52-T56 WeakPolarHBondContact O-CG2 3.41Å; F52-T56 PolarHBondContact O-N 3.33Å
53V93.2Very high92.1Very high16 Ų1659.4 Ų59.410%0.09731%0.313CS..Hα-helixtrans-59.3-45.3176.2170.70000111.4I9 F13 I49 Q50 V55 T56 I57I9-V53 HydrophobicContact CB-CG1 4.44Å; I9-V53 HydrophobicContact CG1-CG1 4.11Å; I9-V53 HydrophobicContact CG2-CG1 4.04Å; F13-V53 HydrophobicContact CE2-CG1 4.29Å; I49-V53 WeakPolarHBondContact O-CG2 3.4Å; I49-V53 PolarHBondContact O-N 3.18Å; Q50-V53 PolarHBondContact O-N 3.13Å; V53-V55 VanDerWaalsContact C-N 3.33Å; V53-V55 PolarHBondContact O-N 3.11Å; V53-T56 PolarHBondContact O-N 3.24Å; V53-T56 VanDerWaalsContact O-N 3.13Å; V53-T56 PolarHBondContact O-OG1 3.24Å; V53-I57 HydrophobicContact CG1-CD1 3.84Å; V53-I57 HydrophobicContact CG1-CG1 4.42Å; V53-I57 WeakPolarHBondContact O-CG1 3.41Å; V53-I57 PolarHBondContact O-N 3.21Å
54L93.3Very high92.1Very high87 Ų8763.7 Ų63.746%0.45534%0.338SS..Hα-helixtrans-59.9-40.8177-68.9174.6000112.3F13 Q50 A51 F52 T56 I57 L58F13-L54 HydrophobicContact CE1-CD2 4.32Å; F13-L54 HydrophobicContact CZ-CD2 3.84Å; Q50-L54 HydrophobicContact CG-CD1 4.49Å; Q50-L54 WeakPolarHBondContact O-CG 3.5Å; Q50-L54 PolarHBondContact O-N 3.17Å; A51-L54 PolarHBondContact O-N 2.9Å; F52-L54 PolarHBondContact O-N 2.95Å; L54-T56 PolarHBondContact O-N 3.21Å; L54-I57 PolarHBondContact O-N 3.42Å; L54-L58 WeakPolarHBondContact O-CB 3.33Å; L54-L58 PolarHBondContact O-N 3.08Å
55V92.1Very high92.2Very high51 Ų5166.5 Ų66.531%0.30935%0.353SS..Hα-helixtrans-62.1-41.7174.9172.70000111.2A51 F52 V53 I57 L58 A59 T109 F113A51-V55 WeakPolarHBondContact O-CG2 3.49Å; A51-V55 PolarHBondContact O-N 3.37Å; F52-V55 PolarHBondContact O-N 2.91Å; V53-V55 VanDerWaalsContact C-N 3.33Å; V53-V55 PolarHBondContact O-N 3.11Å; V55-I57 PolarHBondContact O-N 3.13Å; V55-L58 PolarHBondContact O-N 3.43Å; V55-A59 WeakPolarHBondContact O-CB 3.29Å; V55-A59 PolarHBondContact O-N 3.38Å; V55-T109 HydrophobicContact CG1-CG2 4.18Å; V55-T109 HydrophobicContact CG2-CG2 4.12Å; V55-F113 HydrophobicContact CG1-CD2 4.07Å
56T90.3Very high92.3Very high48 Ų4865.3 Ų65.329%0.29434%0.339SS..Hα-helixtrans-67.1-34.9177.266.90000113.2F52 V53 L54 K60F52-T56 HydrophobicContact CD1-CG2 4.34Å; F52-T56 HydrophobicContact CE1-CG2 3.98Å; F52-T56 HydrophobicContact CZ-CG2 4.22Å; F52-T56 WeakPolarHBondContact O-CG2 3.41Å; F52-T56 PolarHBondContact O-N 3.33Å; V53-T56 PolarHBondContact O-N 3.24Å; V53-T56 VanDerWaalsContact O-N 3.13Å; V53-T56 PolarHBondContact O-OG1 3.24Å; L54-T56 PolarHBondContact O-N 3.21Å; T56-K60 WeakPolarHBondContact O-CG 3.38Å; T56-K60 PolarHBondContact O-N 3.16Å; T56-K60 VanDerWaalsContact O-N 3.09Å
57I92.2Very high92.2Very high46 Ų4664.9 Ų64.924%0.23634%0.336CS..Hα-helixtrans-67.6-46.8175-67.6167.9000109.7I9 F13 V53 L54 V55 A59 K60 I61I9-I57 HydrophobicContact CD1-CG1 4.45Å; I9-I57 HydrophobicContact CG2-CD1 3.93Å; F13-I57 HydrophobicContact CE2-CD1 3.79Å; F13-I57 HydrophobicContact CZ-CD1 4.11Å; V53-I57 HydrophobicContact CG1-CD1 3.84Å; V53-I57 HydrophobicContact CG1-CG1 4.42Å; V53-I57 WeakPolarHBondContact O-CG1 3.41Å; V53-I57 PolarHBondContact O-N 3.21Å; L54-I57 PolarHBondContact O-N 3.42Å; V55-I57 PolarHBondContact O-N 3.13Å; I57-A59 VanDerWaalsContact C-N 3.29Å; I57-A59 PolarHBondContact O-N 3.46Å; I57-K60 PolarHBondContact O-N 3.41Å; I57-K60 VanDerWaalsContact O-N 3.15Å; I57-I61 HydrophobicContact CG2-CD1 3.89Å; I57-I61 HydrophobicContact CG2-CG1 4.46Å; I57-I61 WeakPolarHBondContact O-CG1 3.21Å; I57-I61 PolarHBondContact O-N 3.46Å
58L93.7Very high91.9Very high95 Ų9563.7 Ų63.750%0.49734%0.337SS..Hα-helixtrans-58.6-42.5176.5-173.768.1000111.4L54 V55 K60 I61 F62 F113L54-L58 WeakPolarHBondContact O-CB 3.33Å; L54-L58 PolarHBondContact O-N 3.08Å; V55-L58 PolarHBondContact O-N 3.43Å; L58-K60 VanDerWaalsContact C-N 3.35Å; L58-K60 PolarHBondContact O-N 3.14Å; L58-I61 PolarHBondContact O-N 2.95Å; L58-F62 WeakPolarHBondContact O-CB 3.14Å; L58-F62 PolarHBondContact O-N 3.44Å; L58-F113 HydrophobicContact CB-CE2 4.41Å; L58-F113 HydrophobicContact CD2-CE2 4.28Å; L58-F113 HydrophobicContact CD2-CZ 3.96Å; L58-F113 HydrophobicContact CG-CE2 4.26Å; L58-F113 HydrophobicContact CG-CZ 3.89Å
59A91.5Very high91.7Very high23 Ų2362.1 Ų62.119%0.1935%0.345CS..Hα-helixtrans-59.9-45176.200000111.3V55 I57 F62 L63 F113V55-A59 WeakPolarHBondContact O-CB 3.29Å; V55-A59 PolarHBondContact O-N 3.38Å; I57-A59 VanDerWaalsContact C-N 3.29Å; I57-A59 PolarHBondContact O-N 3.46Å; A59-F62 PolarHBondContact O-N 3.45Å; A59-L63 WeakPolarHBondContact O-CB 3.47Å; A59-L63 WeakPolarHBondContact O-CG 3.3Å; A59-L63 PolarHBondContact O-N 3.39Å; A59-F113 HydrophobicContact CB-CD2 4.27Å; A59-F113 HydrophobicContact CB-CE2 3.64Å
60K91.9Very high91.5Very high108 Ų10860.8 Ų60.847%0.4734%0.339SS..Hα-helixtrans-63.4-42.9176.8-75.2-177.4179.4-178.40112.6T56 I57 L58 F62 L63 V64T56-K60 WeakPolarHBondContact O-CG 3.38Å; T56-K60 PolarHBondContact O-N 3.16Å; T56-K60 VanDerWaalsContact O-N 3.09Å; I57-K60 PolarHBondContact O-N 3.41Å; I57-K60 VanDerWaalsContact O-N 3.15Å; L58-K60 VanDerWaalsContact C-N 3.35Å; L58-K60 PolarHBondContact O-N 3.14Å; K60-F62 VanDerWaalsContact C-N 3.33Å; K60-F62 PolarHBondContact O-N 2.73Å; K60-L63 PolarHBondContact O-N 3.44Å; K60-V64 WeakPolarHBondContact O-CG2 3.43Å; K60-V64 PolarHBondContact O-N 3.46Å
61I92.2Very high91.2Very high100 Ų10062.9 Ų62.951%0.51335%0.346SS..Hα-helixtrans-60.1-47.4176.8-68.2167.7000109.8I57 L58 L63 V64 L65I57-I61 HydrophobicContact CG2-CD1 3.89Å; I57-I61 HydrophobicContact CG2-CG1 4.46Å; I57-I61 WeakPolarHBondContact O-CG1 3.21Å; I57-I61 PolarHBondContact O-N 3.46Å; L58-I61 PolarHBondContact O-N 2.95Å; I61-L63 PolarHBondContact O-N 3.23Å; I61-V64 PolarHBondContact O-N 2.89Å; I61-L65 WeakPolarHBondContact O-CB 3.29Å; I61-L65 PolarHBondContact O-N 2.95Å
62F92.7Very high91.1Very high25 Ų2568 Ų6811%0.1136%0.361CS..Hα-helixtrans-64.3-40.1179.9-160.2-82.6000112.1L58 A59 K60 L65 F66 F117 L145 V148 L149L58-F62 WeakPolarHBondContact O-CB 3.14Å; L58-F62 PolarHBondContact O-N 3.44Å; A59-F62 PolarHBondContact O-N 3.45Å; K60-F62 VanDerWaalsContact C-N 3.33Å; K60-F62 PolarHBondContact O-N 2.73Å; F62-L65 PolarHBondContact O-N 2.98Å; F62-F66 AromaticContact CD1-CD2 3.53Å; F62-F66 HydrophobicContact CD1-CD2 3.53Å; F62-F66 HydrophobicContact CD1-CE2 4.04Å; F62-F66 HydrophobicContact CD2-CD2 4Å; F62-F66 AromaticContact CD2-CE2 3.69Å; F62-F66 HydrophobicContact CD2-CE2 3.69Å; F62-F66 AromaticContact CE1-CD2 3.44Å; F62-F66 HydrophobicContact CE1-CD2 3.44Å; F62-F66 VanDerWaalsContact CE1-CD2 3.44Å; F62-F66 AromaticContact CE1-CE2 3.78Å; F62-F66 HydrophobicContact CE1-CE2 3.78Å; F62-F66 HydrophobicContact CE1-CG 4.38Å; F62-F66 AromaticContact CE2-CD2 3.89Å; F62-F66 HydrophobicContact CE2-CD2 3.89Å; F62-F66 AromaticContact CE2-CE2 3.35Å; F62-F66 HydrophobicContact CE2-CE2 3.35Å; F62-F66 HydrophobicContact CE2-CZ 4.35Å; F62-F66 AromaticContact CG-CD2 3.85Å; F62-F66 HydrophobicContact CG-CD2 3.85Å; F62-F66 HydrophobicContact CG-CE2 4.04Å; F62-F66 AromaticContact CZ-CD2 3.62Å; F62-F66 HydrophobicContact CZ-CD2 3.62Å; F62-F66 AromaticContact CZ-CE2 3.41Å; F62-F66 HydrophobicContact CZ-CE2 3.41Å; F62-F66 VanDerWaalsContact CZ-CE2 3.41Å; F62-F66 HydrophobicContact CZ-CZ 4.36Å; F62-F66 WeakPolarHBondContact O-CD2 3.46Å; F62-F66 PolarHBondContact O-N 3.17Å; F62-F117 HydrophobicContact CB-CE1 4.16Å; F62-F117 HydrophobicContact CB-CE2 4.35Å; F62-F117 HydrophobicContact CB-CZ 3.77Å; F62-F117 AromaticContact CD1-CD1 3.33Å; F62-F117 HydrophobicContact CD1-CD1 3.33Å; F62-F117 AromaticContact CD1-CD2 3.95Å; F62-F117 HydrophobicContact CD1-CD2 3.95Å; F62-F117 AromaticContact CD1-CE1 3.19Å; F62-F117 HydrophobicContact CD1-CE1 3.19Å; F62-F117 AromaticContact CD1-CE2 3.83Å; F62-F117 HydrophobicContact CD1-CE2 3.83Å; F62-F117 AromaticContact CD1-CG 3.74Å; F62-F117 HydrophobicContact CD1-CG 3.74Å; F62-F117 AromaticContact CD1-CZ 3.46Å; F62-F117 HydrophobicContact CD1-CZ 3.46Å; F62-F117 VanDerWaalsContact CD1-CZ 3.46Å; F62-F117 HydrophobicContact CE1-CB 4.11Å; F62-F117 AromaticContact CE1-CD1 3.47Å; F62-F117 HydrophobicContact CE1-CD1 3.47Å; F62-F117 VanDerWaalsContact CE1-CD1 3.47Å; F62-F117 AromaticContact CE1-CD2 3.96Å; F62-F117 HydrophobicContact CE1-CD2 3.96Å; F62-F117 AromaticContact CE1-CE1 3.87Å; F62-F117 HydrophobicContact CE1-CE1 3.87Å; F62-F117 HydrophobicContact CE1-CE2 4.32Å; F62-F117 AromaticContact CE1-CG 3.55Å; F62-F117 HydrophobicContact CE1-CG 3.55Å; F62-F117 HydrophobicContact CE1-CZ 4.27Å; F62-F117 HydrophobicContact CG-CD1 4.48Å; F62-F117 HydrophobicContact CG-CE1 4.06Å; F62-F117 HydrophobicContact CG-CE2 4.2Å; F62-F117 AromaticContact CG-CZ 3.9Å; F62-F117 HydrophobicContact CG-CZ 3.9Å; F62-L145 HydrophobicContact CD1-CD1 4.49Å; F62-L145 HydrophobicContact CE1-CD1 3.37Å; F62-L145 HydrophobicContact CZ-CD1 3.71Å; F62-V148 HydrophobicContact CE2-CG1 3.98Å; F62-V148 HydrophobicContact CZ-CG1 4.16Å; F62-L149 HydrophobicContact CZ-CD2 4.34Å
63L93.2Very high90.9Very high45 Ų4564.7 Ų64.724%0.23635%0.351CS..Hα-helixtrans-59.8-47.9172.9-76.2168.3000112A59 K60 I61 L65 F67 G68 L70 F117 M120A59-L63 WeakPolarHBondContact O-CB 3.47Å; A59-L63 WeakPolarHBondContact O-CG 3.3Å; A59-L63 PolarHBondContact O-N 3.39Å; K60-L63 PolarHBondContact O-N 3.44Å; I61-L63 PolarHBondContact O-N 3.23Å; L63-L65 VanDerWaalsContact C-N 3.34Å; L63-L65 PolarHBondContact O-N 2.86Å; L63-F67 HydrophobicContact CD2-CD2 4.26Å; L63-F67 CarbonylContact O-C 3.57Å; L63-F67 WeakPolarHBondContact O-CA 3.5Å; L63-F67 VanDerWaalsContact O-CB 3.31Å; L63-F67 WeakPolarHBondContact O-CB 3.44Å; L63-F67 PolarHBondContact O-N 2.94Å; L63-G68 PolarHBondContact O-N 3.12Å; L63-L70 HydrophobicContact CD2-CD1 4.44Å; L63-F117 HydrophobicContact CD2-CE1 3.86Å; L63-F117 HydrophobicContact CG-CE1 3.94Å; L63-F117 HydrophobicContact CG-CZ 4.31Å; L63-M120 HydrophobicContact CD2-CE 3.77Å; L63-M120 HydrophobicContact CD2-SD 3.55Å; L63-M120 VanDerWaalsContact CD2-SD 3.55Å
64V91.7Very high90.8Very high98 Ų9864 Ų6459%0.59435%0.346SS*.Hα-helixtrans-65-40179.6171.70000111.2K60 I61 G68K60-V64 WeakPolarHBondContact O-CG2 3.43Å; K60-V64 PolarHBondContact O-N 3.46Å; I61-V64 PolarHBondContact O-N 2.89Å; V64-G68 PolarHBondContact O-N 2.89Å
65L92.6Very high90.6Very high98 Ų9864.5 Ų64.551%0.51335%0.346SS..Hα-helixtrans-67.3-47.6-177.1-166.2152.5000112.1I61 F62 L63 R141I61-L65 WeakPolarHBondContact O-CB 3.29Å; I61-L65 PolarHBondContact O-N 2.95Å; F62-L65 PolarHBondContact O-N 2.98Å; L63-L65 VanDerWaalsContact C-N 3.34Å; L63-L65 PolarHBondContact O-N 2.86Å; L65-R141 PolarHBondContact O-NE 3.32Å
66F93.1Very high90.5Very high23 Ų2367 Ų6710%0.10135%0.354CS..Hα-helixtrans-98.7-34.4-173.4-66.1-69.3000114.4F62 R141 G144 L145 V148F62-F66 AromaticContact CD1-CD2 3.53Å; F62-F66 HydrophobicContact CD1-CD2 3.53Å; F62-F66 HydrophobicContact CD1-CE2 4.04Å; F62-F66 HydrophobicContact CD2-CD2 4Å; F62-F66 AromaticContact CD2-CE2 3.69Å; F62-F66 HydrophobicContact CD2-CE2 3.69Å; F62-F66 AromaticContact CE1-CD2 3.44Å; F62-F66 HydrophobicContact CE1-CD2 3.44Å; F62-F66 VanDerWaalsContact CE1-CD2 3.44Å; F62-F66 AromaticContact CE1-CE2 3.78Å; F62-F66 HydrophobicContact CE1-CE2 3.78Å; F62-F66 HydrophobicContact CE1-CG 4.38Å; F62-F66 AromaticContact CE2-CD2 3.89Å; F62-F66 HydrophobicContact CE2-CD2 3.89Å; F62-F66 AromaticContact CE2-CE2 3.35Å; F62-F66 HydrophobicContact CE2-CE2 3.35Å; F62-F66 HydrophobicContact CE2-CZ 4.35Å; F62-F66 AromaticContact CG-CD2 3.85Å; F62-F66 HydrophobicContact CG-CD2 3.85Å; F62-F66 HydrophobicContact CG-CE2 4.04Å; F62-F66 AromaticContact CZ-CD2 3.62Å; F62-F66 HydrophobicContact CZ-CD2 3.62Å; F62-F66 AromaticContact CZ-CE2 3.41Å; F62-F66 HydrophobicContact CZ-CE2 3.41Å; F62-F66 VanDerWaalsContact CZ-CE2 3.41Å; F62-F66 HydrophobicContact CZ-CZ 4.36Å; F62-F66 WeakPolarHBondContact O-CD2 3.46Å; F62-F66 PolarHBondContact O-N 3.17Å; F66-R141 WeakPolarHBondContact CD1-O 3.43Å; F66-R141 WeakPolarHBondContact O-CB 3.41Å; F66-R141 WeakPolarHBondContact O-CD 3.24Å; F66-G144 VanDerWaalsContact CE1-C 3.46Å; F66-L145 HydrophobicContact CB-CB 4.24Å; F66-L145 HydrophobicContact CB-CD1 4.16Å; F66-L145 HydrophobicContact CB-CD2 4.5Å; F66-L145 HydrophobicContact CD1-CB 3.69Å; F66-L145 HydrophobicContact CD1-CD1 4.39Å; F66-L145 HydrophobicContact CD2-CD1 4.07Å; F66-L145 HydrophobicContact CE1-CB 4.22Å; F66-L145 HydrophobicContact CG-CB 4.02Å; F66-L145 HydrophobicContact CG-CD1 3.95Å; F66-V148 HydrophobicContact CZ-CB 4.35Å; F66-V148 HydrophobicContact CZ-CG2 3.97Å
67F90.3Very high90.5Very high10 Ų1066.6 Ų66.64%0.04435%0.351CS..THydrogen-bonded Turntrans-104.5-28.4-173.9-65.5-95.9000112.8L63 S69 F117 M120 R124 L145L63-F67 HydrophobicContact CD2-CD2 4.26Å; L63-F67 CarbonylContact O-C 3.57Å; L63-F67 WeakPolarHBondContact O-CA 3.5Å; L63-F67 VanDerWaalsContact O-CB 3.31Å; L63-F67 WeakPolarHBondContact O-CB 3.44Å; L63-F67 PolarHBondContact O-N 2.94Å; F67-S69 PolarHBondContact O-N 2.96Å; F67-F117 AromaticContact CE2-CD1 3.81Å; F67-F117 HydrophobicContact CE2-CD1 3.81Å; F67-F117 HydrophobicContact CE2-CE1 4.34Å; F67-M120 HydrophobicContact CD1-CB 4.38Å; F67-M120 HydrophobicContact CE1-CB 3.46Å; F67-M120 VanDerWaalsContact CE1-CB 3.46Å; F67-M120 HydrophobicContact CE2-CB 4.35Å; F67-M120 HydrophobicContact CZ-CB 3.43Å; F67-M120 VanDerWaalsContact CZ-CB 3.43Å; F67-R124 HydrophobicContact CD1-CG 3.68Å; F67-R124 HydrophobicContact CE1-CG 3.56Å; F67-L145 HydrophobicContact CE1-CD2 4.21Å; F67-L145 HydrophobicContact CE2-CD1 4.22Å; F67-L145 HydrophobicContact CE2-CD2 3.64Å; F67-L145 HydrophobicContact CZ-CD2 3.36Å
68G86.3Confident90.4Very high30 Ų3065.5 Ų65.531%0.30935%0.346SS..SBendtrans68.4-108.3-172.600000110.7L63 V64L63-G68 PolarHBondContact O-N 3.12Å; V64-G68 PolarHBondContact O-N 2.89Å
69S86.9Confident90.2Very high99 Ų9966 Ų6669%0.69235%0.347SS*.SBendtrans-92.5118.8175.851.40000111.3F67 R124F67-S69 PolarHBondContact O-N 2.96Å; S69-R124 PolarHBondContact O-NH2 3.43Å
70L87.5Confident90Very high65 Ų6571 Ų7134%0.3437%0.366SS..PPolyproline II helixtrans-76.3136.8175.3-162.574.1000110.4L63 E74 Q75 M120L63-L70 HydrophobicContact CD2-CD1 4.44Å; L70-E74 HydrophobicContact CD1-CB 3.92Å; L70-E74 VanDerWaalsContact CD1-OE2 3.24Å; L70-E74 WeakPolarHBondContact CD1-OE2 3.32Å; L70-E74 HydrophobicContact CG-CB 4.14Å; L70-Q75 HydrophobicContact CD2-CB 3.98Å; L70-Q75 HydrophobicContact CD2-CG 4.46Å; L70-M120 HydrophobicContact CD1-SD 3.92Å
71R87.8Confident89.9Confident58 Ų5869.7 Ų69.722%0.21936%0.359CS..PPolyproline II helixtrans-86.1151.2177.7-62.2174.8-67.9145.9-4.6110N73 E74 Q75 Y127R71-N73 VanDerWaalsContact C-N 3.31Å; R71-N73 PolarHBondContact O-N 3.4Å; R71-E74 HydrophobicContact CB-CG 4.13Å; R71-E74 IonicContact CZ-OE1 2.63Å; R71-E74 PolarHBondContact N-OE2 2.97Å; R71-E74 VanDerWaalsContact NE-CD 3.34Å; R71-E74 IonicContact NE-OE1 3.45Å; R71-E74 PolarHBondContact NE-OE1 3.41Å; R71-E74 IonicContact NE-OE2 2.95Å; R71-E74 IonicContact NH2-OE1 2.94Å; R71-E74 PolarHBondContact NH2-OE1 3.22Å; R71-E74 WeakPolarHBondContact O-CB 3.5Å; R71-E74 PolarHBondContact O-N 2.9Å; R71-E74 VanDerWaalsContact O-N 3.07Å; R71-Q75 PolarHBondContact O-N 2.99Å; R71-Q75 VanDerWaalsContact O-N 3.15Å; R71-Y127 VanDerWaalsContact NH1-CD1 3.28Å
72Q89.7Confident89.8Confident156 Ų15665.7 Ų65.773%0.72934%0.34SS*.Hα-helixtrans-55.8-44.9-179.2-72178.6-19.700112.3E74 Q75 E76Q72-E74 VanDerWaalsContact C-N 3.29Å; Q72-E74 PolarHBondContact O-N 3.44Å; Q72-Q75 WeakPolarHBondContact O-CB 3.49Å; Q72-Q75 PolarHBondContact O-N 2.89Å; Q72-Q75 VanDerWaalsContact O-N 3.09Å; Q72-E76 WeakPolarHBondContact O-CG 3.49Å; Q72-E76 PolarHBondContact O-N 3.05Å
73N87.7Confident89.5Confident78 Ų7873 Ų7342%0.41737%0.367SS..Hα-helixtrans-59.4-36.9177.6-173.388.9000113.3R71 N77R71-N73 VanDerWaalsContact C-N 3.31Å; R71-N73 PolarHBondContact O-N 3.4Å; N73-N77 PolarHBondContact ND2-ND2 3.46Å; N73-N77 WeakPolarHBondContact O-CB 3.38Å; N73-N77 VanDerWaalsContact O-CG 3.27Å; N73-N77 PolarHBondContact O-N 3.08Å
74E89.8Confident89.3Confident0 Ų077 Ų770%038%0.383CS..Hα-helixtrans-69.2-39.2177.5-61.4170.5154.100111L70 R71 Q72 V78 E123 R124L70-E74 HydrophobicContact CD1-CB 3.92Å; L70-E74 VanDerWaalsContact CD1-OE2 3.24Å; L70-E74 WeakPolarHBondContact CD1-OE2 3.32Å; L70-E74 HydrophobicContact CG-CB 4.14Å; R71-E74 HydrophobicContact CB-CG 4.13Å; R71-E74 IonicContact CZ-OE1 2.63Å; R71-E74 PolarHBondContact N-OE2 2.97Å; R71-E74 VanDerWaalsContact NE-CD 3.34Å; R71-E74 IonicContact NE-OE1 3.45Å; R71-E74 PolarHBondContact NE-OE1 3.41Å; R71-E74 IonicContact NE-OE2 2.95Å; R71-E74 IonicContact NH2-OE1 2.94Å; R71-E74 PolarHBondContact NH2-OE1 3.22Å; R71-E74 WeakPolarHBondContact O-CB 3.5Å; R71-E74 PolarHBondContact O-N 2.9Å; R71-E74 VanDerWaalsContact O-N 3.07Å; Q72-E74 VanDerWaalsContact C-N 3.29Å; Q72-E74 PolarHBondContact O-N 3.44Å; E74-V78 WeakPolarHBondContact O-CB 3.38Å; E74-V78 WeakPolarHBondContact O-CG2 3.31Å; E74-V78 PolarHBondContact O-N 3.26Å; E74-E123 HydrophobicContact CG-CB 4.48Å; E74-R124 VanDerWaalsContact CD-NE 3.33Å; E74-R124 WeakPolarHBondContact OE1-CD 3.46Å; E74-R124 WeakPolarHBondContact OE1-CG 3.43Å; E74-R124 IonicContact OE1-CZ 3.56Å; E74-R124 IonicContact OE1-NE 2.73Å; E74-R124 PolarHBondContact OE1-NE 3.19Å; E74-R124 IonicContact OE1-NH1 3.02Å; E74-R124 IonicContact OE1-NH2 3.42Å; E74-R124 PolarHBondContact OE1-NH2 2.96Å; E74-R124 IonicContact OE2-CZ 3.11Å; E74-R124 VanDerWaalsContact OE2-CZ 3.23Å; E74-R124 IonicContact OE2-NE 3.91Å; E74-R124 PolarHBondContact OE2-NE 3.3Å; E74-R124 IonicContact OE2-NH2 3.13Å; E74-R124 PolarHBondContact OE2-NH2 3.07Å
75Q88.7Confident89Confident99 Ų9972.6 Ų72.646%0.46336%0.357SS..Hα-helixtrans-64.5-46.9177.1-173.2-177.5-19.100111L70 R71 Q72 V78 M79L70-Q75 HydrophobicContact CD2-CB 3.98Å; L70-Q75 HydrophobicContact CD2-CG 4.46Å; R71-Q75 PolarHBondContact O-N 2.99Å; R71-Q75 VanDerWaalsContact O-N 3.15Å; Q72-Q75 WeakPolarHBondContact O-CB 3.49Å; Q72-Q75 PolarHBondContact O-N 2.89Å; Q72-Q75 VanDerWaalsContact O-N 3.09Å; Q75-V78 PolarHBondContact O-N 3.5Å; Q75-M79 HydrophobicContact CG-CE 4.13Å; Q75-M79 HydrophobicContact CG-CG 4.49Å; Q75-M79 HydrophobicContact CG-SD 4.23Å; Q75-M79 WeakPolarHBondContact O-CB 3.34Å; Q75-M79 WeakPolarHBondContact O-CG 3.47Å; Q75-M79 PolarHBondContact O-N 3.3Å
76E91.3Very high88.6Confident102 Ų10270.5 Ų70.548%0.47735%0.348SS..Hα-helixtrans-60.1-51.5178.9-71.9169.7-173.100111.4Q72 V78 M79 E80Q72-E76 WeakPolarHBondContact O-CG 3.49Å; Q72-E76 PolarHBondContact O-N 3.05Å; E76-V78 VanDerWaalsContact C-N 3.33Å; E76-V78 PolarHBondContact O-N 3.11Å; E76-M79 HydrophobicContact CG-CE 4.37Å; E76-M79 PolarHBondContact O-N 3.49Å; E76-M79 VanDerWaalsContact O-N 3.15Å; E76-E80 PolarHBondContact O-N 3.14Å
77N89.4Confident88.1Confident41 Ų4172 Ų7222%0.21936%0.359CS..Hα-helixtrans-60.3-41.6179.7-73.4-4.8000112.3N73 R81 E123N73-N77 PolarHBondContact ND2-ND2 3.46Å; N73-N77 WeakPolarHBondContact O-CB 3.38Å; N73-N77 VanDerWaalsContact O-CG 3.27Å; N73-N77 PolarHBondContact O-N 3.08Å; N77-R81 VanDerWaalsContact O-CG 3.31Å; N77-R81 WeakPolarHBondContact O-CG 3.28Å; N77-R81 PolarHBondContact O-N 3.49Å; N77-R81 VanDerWaalsContact O-N 3.11Å; N77-E123 PolarHBondContact ND2-OE1 3.37Å; N77-E123 PolarHBondContact ND2-OE2 2.97Å
78V89.9Confident87.5Confident22 Ų2274.2 Ų74.213%0.13337%0.37CS..Hα-helixtrans-67.6-40.7177.1171.40000111.3E74 Q75 E76 R81 A82 W119 M120E74-V78 WeakPolarHBondContact O-CB 3.38Å; E74-V78 WeakPolarHBondContact O-CG2 3.31Å; E74-V78 PolarHBondContact O-N 3.26Å; Q75-V78 PolarHBondContact O-N 3.5Å; E76-V78 VanDerWaalsContact C-N 3.33Å; E76-V78 PolarHBondContact O-N 3.11Å; V78-R81 PolarHBondContact O-N 2.66Å; V78-A82 WeakPolarHBondContact O-CB 3.05Å; V78-A82 PolarHBondContact O-N 2.82Å; V78-W119 HydrophobicContact CG1-CE3 4.47Å; V78-W119 HydrophobicContact CG2-CB 4.45Å; V78-M120 HydrophobicContact CG2-CG 3.45Å; V78-M120 VanDerWaalsContact CG2-CG 3.45Å; V78-M120 HydrophobicContact CG2-SD 4.42Å
79M89.1Confident87.2Confident106 Ų10673.8 Ų73.852%0.52236%0.361SS..Hα-helixtrans-62.7-43.2178.1-75.4-172.7-51.200111.9Q75 E76 A82 W83Q75-M79 HydrophobicContact CG-CE 4.13Å; Q75-M79 HydrophobicContact CG-CG 4.49Å; Q75-M79 HydrophobicContact CG-SD 4.23Å; Q75-M79 WeakPolarHBondContact O-CB 3.34Å; Q75-M79 WeakPolarHBondContact O-CG 3.47Å; Q75-M79 PolarHBondContact O-N 3.3Å; E76-M79 HydrophobicContact CG-CE 4.37Å; E76-M79 PolarHBondContact O-N 3.49Å; E76-M79 VanDerWaalsContact O-N 3.15Å; M79-A82 PolarHBondContact O-N 2.9Å; M79-W83 PolarHBondContact O-N 3.02Å; M79-W83 VanDerWaalsContact O-N 3.15Å
80E89Confident86.8Confident127 Ų12772.4 Ų72.459%0.59335%0.351SS*.Hα-helixtrans-62.4-52.1176.6-70.1-173.9173.400111.3E76 A82 W83 F84E76-E80 PolarHBondContact O-N 3.14Å; E80-A82 VanDerWaalsContact C-N 3.29Å; E80-A82 PolarHBondContact O-N 2.9Å; E80-W83 PolarHBondContact O-N 3.26Å; E80-F84 WeakPolarHBondContact O-CD2 3.47Å; E80-F84 PolarHBondContact O-N 3.44Å
81R89.9Confident86.2Confident82 Ų8274.6 Ų74.631%0.30936%0.362SS..Hα-helixtrans-61-37.8178.3-67.8-179.9-171.3-162.68.4112.1N77 V78 F84 A85 W119 E122 E123N77-R81 VanDerWaalsContact O-CG 3.31Å; N77-R81 WeakPolarHBondContact O-CG 3.28Å; N77-R81 PolarHBondContact O-N 3.49Å; N77-R81 VanDerWaalsContact O-N 3.11Å; V78-R81 PolarHBondContact O-N 2.66Å; R81-F84 PolarHBondContact O-N 3.14Å; R81-A85 PolarHBondContact O-N 3.46Å; R81-W119 VanDerWaalsContact C-CH2 3.46Å; R81-W119 HydrophobicContact CB-CD2 3.97Å; R81-W119 HydrophobicContact CB-CE3 3.73Å; R81-W119 HydrophobicContact CB-CH2 3.76Å; R81-W119 HydrophobicContact CB-CZ2 3.97Å; R81-W119 HydrophobicContact CB-CZ3 3.64Å; R81-W119 VanDerWaalsContact O-CH2 3.31Å; R81-W119 WeakPolarHBondContact O-CH2 3.22Å; R81-E122 IonicContact CZ-OE2 3.32Å; R81-E122 IonicContact NH1-OE2 2.63Å; R81-E122 PolarHBondContact NH1-OE2 3.11Å; R81-E122 IonicContact NH2-OE2 3.15Å; R81-E123 IonicContact CZ-OE1 3.7Å; R81-E123 IonicContact NH2-OE1 3.23Å; R81-E123 PolarHBondContact NH2-OE1 2.76Å
82A89.5Confident85.4Confident15 Ų1573 Ų7312%0.12436%0.362CS..Hα-helixtrans-60.9-44178.200000112.3V78 M79 E80 F84 A85 V86 F112 W119V78-A82 WeakPolarHBondContact O-CB 3.05Å; V78-A82 PolarHBondContact O-N 2.82Å; M79-A82 PolarHBondContact O-N 2.9Å; E80-A82 VanDerWaalsContact C-N 3.29Å; E80-A82 PolarHBondContact O-N 2.9Å; A82-F84 PolarHBondContact O-N 2.92Å; A82-A85 PolarHBondContact O-N 3.49Å; A82-V86 WeakPolarHBondContact O-CG2 3.39Å; A82-V86 PolarHBondContact O-N 2.91Å; A82-F112 HydrophobicContact CB-CE2 4.05Å; A82-F112 HydrophobicContact CB-CZ 3.77Å; A82-W119 HydrophobicContact CB-CZ3 4.18Å
83W87.2Confident84.4Confident179 Ų17968.1 Ų68.168%0.67834%0.338SS*.Hα-helixtrans-59.8-47.6178.7-175.9-106.2000111.7M79 E80 A85 V86 T87M79-W83 PolarHBondContact O-N 3.02Å; M79-W83 VanDerWaalsContact O-N 3.15Å; E80-W83 PolarHBondContact O-N 3.26Å; W83-A85 PolarHBondContact O-N 3.17Å; W83-V86 PolarHBondContact O-N 3.32Å; W83-T87 WeakPolarHBondContact O-CG2 3.46Å; W83-T87 PolarHBondContact O-N 2.92Å; W83-T87 PolarHBondContact O-OG1 3.25Å
84F87.7Confident83.7Confident128 Ų12869.3 Ų69.356%0.56135%0.348SS*.Hα-helixtrans-59.7-46.9176.3-67.8-68.5000111.9E80 R81 A82 V86 T87 E88E80-F84 WeakPolarHBondContact O-CD2 3.47Å; E80-F84 PolarHBondContact O-N 3.44Å; R81-F84 PolarHBondContact O-N 3.14Å; A82-F84 PolarHBondContact O-N 2.92Å; F84-V86 VanDerWaalsContact C-N 3.33Å; F84-V86 PolarHBondContact O-N 3.05Å; F84-T87 PolarHBondContact O-N 3.38Å; F84-T87 VanDerWaalsContact O-N 3.14Å; F84-T87 PolarHBondContact O-OG1 3.48Å; F84-E88 PolarHBondContact O-N 2.7Å
85A85.3Confident82.6Confident7 Ų773.5 Ų73.56%0.05837%0.374CS..Hα-helixtrans-62.5-37.7179.300000113.2R81 A82 W83 T89 F112 W119R81-A85 PolarHBondContact O-N 3.46Å; A82-A85 PolarHBondContact O-N 3.49Å; W83-A85 PolarHBondContact O-N 3.17Å; A85-T89 WeakPolarHBondContact O-CB 3.49Å; A85-T89 PolarHBondContact O-N 3.01Å; A85-T89 PolarHBondContact O-OG1 3.3Å; A85-F112 HydrophobicContact CB-CE2 4.38Å; A85-W119 HydrophobicContact CB-CH2 3.67Å; A85-W119 HydrophobicContact CB-CZ2 4.23Å
86V85Confident81.5Confident54 Ų5471 Ų7133%0.32736%0.361SS..Hα-helixtrans-63-45.3174.2171.20000110.3A82 W83 F84 E88 T89 C90 F112A82-V86 WeakPolarHBondContact O-CG2 3.39Å; A82-V86 PolarHBondContact O-N 2.91Å; W83-V86 PolarHBondContact O-N 3.32Å; F84-V86 VanDerWaalsContact C-N 3.33Å; F84-V86 PolarHBondContact O-N 3.05Å; V86-E88 PolarHBondContact O-N 3.31Å; V86-T89 WeakPolarHBondContact O-CB 3.49Å; V86-T89 PolarHBondContact O-N 3.02Å; V86-C90 PolarHBondContact O-N 3.04Å; V86-C90 PolarHBondContact O-SG 3.48Å; V86-F112 HydrophobicContact CG2-CD2 4.43Å; V86-F112 HydrophobicContact CG2-CE2 3.83Å; V86-F112 HydrophobicContact CG2-CZ 4.1Å
87T81.3Confident80.5Confident54 Ų5475.8 Ų75.833%0.33138%0.375SS..Hα-helixtrans-64.1-41.317960.20000113.3W83 F84 T89 C90 L91W83-T87 WeakPolarHBondContact O-CG2 3.46Å; W83-T87 PolarHBondContact O-N 2.92Å; W83-T87 PolarHBondContact O-OG1 3.25Å; F84-T87 PolarHBondContact O-N 3.38Å; F84-T87 VanDerWaalsContact O-N 3.14Å; F84-T87 PolarHBondContact O-OG1 3.48Å; T87-T89 VanDerWaalsContact C-N 3.26Å; T87-T89 PolarHBondContact O-N 3.27Å; T87-C90 PolarHBondContact O-N 3.5Å; T87-L91 WeakPolarHBondContact O-CG 3.22Å; T87-L91 PolarHBondContact O-N 3.06Å
88E78.4Confident79.4Confident56 Ų5681.5 Ų81.526%0.26241%0.406SS..Hα-helixtrans-61.9-36.8174.5-72.6-179.7165.700111.6F84 V86 L91 A92 V358F84-E88 PolarHBondContact O-N 2.7Å; V86-E88 PolarHBondContact O-N 3.31Å; E88-L91 WeakPolarHBondContact O-CB 3.12Å; E88-L91 PolarHBondContact O-N 3.42Å; E88-A92 PolarHBondContact O-N 3.2Å; E88-V358 HydrophobicContact CB-CG1 4.33Å; E88-V358 HydrophobicContact CG-CG1 3.87Å
89T79.5Confident78.4Confident22 Ų2284.5 Ų84.514%0.13542%0.421CS..Hα-helixtrans-68.5-44.9175.5-52.50000111.8A85 V86 T87 L91 A92 F93 F108A85-T89 WeakPolarHBondContact O-CB 3.49Å; A85-T89 PolarHBondContact O-N 3.01Å; A85-T89 PolarHBondContact O-OG1 3.3Å; V86-T89 WeakPolarHBondContact O-CB 3.49Å; V86-T89 PolarHBondContact O-N 3.02Å; T87-T89 VanDerWaalsContact C-N 3.26Å; T87-T89 PolarHBondContact O-N 3.27Å; T89-L91 PolarHBondContact O-N 2.65Å; T89-A92 CarbonylContact O-C 3.56Å; T89-A92 WeakPolarHBondContact O-CA 3.49Å; T89-A92 WeakPolarHBondContact O-CB 3.49Å; T89-A92 PolarHBondContact O-N 3.32Å; T89-F93 HydrophobicContact CG2-CD1 3.98Å; T89-F93 HydrophobicContact CG2-CD2 4.29Å; T89-F93 HydrophobicContact CG2-CE1 3.42Å; T89-F93 VanDerWaalsContact CG2-CE1 3.42Å; T89-F93 HydrophobicContact CG2-CE2 3.75Å; T89-F93 HydrophobicContact CG2-CG 4.43Å; T89-F93 HydrophobicContact CG2-CZ 3.32Å; T89-F93 VanDerWaalsContact O-CG 3.31Å; T89-F93 WeakPolarHBondContact O-CG 3.31Å; T89-F93 PolarHBondContact O-N 3.38Å; T89-F108 VanDerWaalsContact CB-CE2 3.44Å; T89-F108 VanDerWaalsContact CB-CZ 3.48Å; T89-F108 HydrophobicContact CG2-CD1 3.96Å; T89-F108 HydrophobicContact CG2-CD2 3.23Å; T89-F108 HydrophobicContact CG2-CE1 3.73Å; T89-F108 HydrophobicContact CG2-CE2 3.03Å; T89-F108 HydrophobicContact CG2-CG 3.72Å; T89-F108 HydrophobicContact CG2-CZ 3.28Å; T89-F108 WeakPolarHBondContact OG1-CE2 3.05Å; T89-F108 WeakPolarHBondContact OG1-CZ 3.35Å
90C79.4Confident77.5Confident69 Ų6985.4 Ų85.447%0.46642%0.422SS..Hα-helixtrans-56-38.5175.3-68.60000111V86 T87 F93V86-C90 PolarHBondContact O-N 3.04Å; V86-C90 PolarHBondContact O-SG 3.48Å; T87-C90 PolarHBondContact O-N 3.5Å; C90-F93 PolarHBondContact O-N 3.29Å
91L75Confident77.1Confident112 Ų11283.5 Ų83.559%0.58642%0.416SS*.Hα-helixtrans-65.9-46172.3-67.9171.2000111.8T87 E88 T89 F93 T94T87-L91 WeakPolarHBondContact O-CG 3.22Å; T87-L91 PolarHBondContact O-N 3.06Å; E88-L91 WeakPolarHBondContact O-CB 3.12Å; E88-L91 PolarHBondContact O-N 3.42Å; T89-L91 PolarHBondContact O-N 2.65Å; L91-F93 VanDerWaalsContact C-N 3.26Å; L91-F93 PolarHBondContact O-N 3.08Å; L91-T94 WeakPolarHBondContact O-CB 3.45Å; L91-T94 PolarHBondContact O-N 2.98Å; L91-T94 VanDerWaalsContact O-N 3.08Å; L91-T94 PolarHBondContact O-OG1 3.5Å
92A69.8Low76.7Confident25 Ų2582.9 Ų82.921%0.20742%0.424CS..Hα-helixtrans-58.6-34.8176.200000113.1E88 T89 T94 V95 F96E88-A92 PolarHBondContact O-N 3.2Å; T89-A92 CarbonylContact O-C 3.56Å; T89-A92 WeakPolarHBondContact O-CA 3.49Å; T89-A92 WeakPolarHBondContact O-CB 3.49Å; T89-A92 PolarHBondContact O-N 3.32Å; A92-T94 PolarHBondContact O-N 3.27Å; A92-V95 WeakPolarHBondContact O-CB 3.01Å; A92-V95 PolarHBondContact O-N 2.85Å; A92-F96 WeakPolarHBondContact O-CD2 3.41Å; A92-F96 PolarHBondContact O-N 2.82Å
93F70.2Confident76.6Confident52 Ų5290.7 Ų90.723%0.22845%0.45CS..Hα-helixtrans-62.7-29.6176.1-67.2-18.9000113.2T89 C90 L91 V95 F96 R97 F104 F108T89-F93 HydrophobicContact CG2-CD1 3.98Å; T89-F93 HydrophobicContact CG2-CD2 4.29Å; T89-F93 HydrophobicContact CG2-CE1 3.42Å; T89-F93 VanDerWaalsContact CG2-CE1 3.42Å; T89-F93 HydrophobicContact CG2-CE2 3.75Å; T89-F93 HydrophobicContact CG2-CG 4.43Å; T89-F93 HydrophobicContact CG2-CZ 3.32Å; T89-F93 VanDerWaalsContact O-CG 3.31Å; T89-F93 WeakPolarHBondContact O-CG 3.31Å; T89-F93 PolarHBondContact O-N 3.38Å; C90-F93 PolarHBondContact O-N 3.29Å; L91-F93 VanDerWaalsContact C-N 3.26Å; L91-F93 PolarHBondContact O-N 3.08Å; F93-V95 VanDerWaalsContact C-N 3.25Å; F93-V95 PolarHBondContact O-N 3.3Å; F93-F96 PolarHBondContact O-N 3.04Å; F93-R97 PolarHBondContact O-N 3.2Å; F93-F104 HydrophobicContact CD1-CD1 4.41Å; F93-F104 AromaticContact CD1-CE1 3.18Å; F93-F104 HydrophobicContact CD1-CE1 3.18Å; F93-F104 AromaticContact CD1-CZ 3.45Å; F93-F104 HydrophobicContact CD1-CZ 3.45Å; F93-F104 VanDerWaalsContact CD1-CZ 3.45Å; F93-F104 HydrophobicContact CE1-CD1 4.07Å; F93-F104 AromaticContact CE1-CE1 3.07Å; F93-F104 HydrophobicContact CE1-CE1 3.07Å; F93-F104 AromaticContact CE1-CZ 3.42Å; F93-F104 HydrophobicContact CE1-CZ 3.42Å; F93-F104 VanDerWaalsContact CE1-CZ 3.42Å; F93-F104 HydrophobicContact CG-CE1 4.27Å; F93-F104 HydrophobicContact CZ-CE1 4.12Å; F93-F108 HydrophobicContact CE1-CB 4.38Å; F93-F108 HydrophobicContact CE1-CG 4.25Å; F93-F108 HydrophobicContact CZ-CB 4.2Å; F93-F108 AromaticContact CZ-CD1 3.77Å; F93-F108 HydrophobicContact CZ-CD1 3.77Å; F93-F108 HydrophobicContact CZ-CD2 4.47Å; F93-F108 HydrophobicContact CZ-CE1 4.36Å; F93-F108 AromaticContact CZ-CG 3.82Å; F93-F108 HydrophobicContact CZ-CG 3.82Å
94T72Confident76.4Confident103 Ų10382.8 Ų82.863%0.63242%0.421SS*.Hα-helixtrans-68.6-27.6175.269.80000112.3L91 A92L91-T94 WeakPolarHBondContact O-CB 3.45Å; L91-T94 PolarHBondContact O-N 2.98Å; L91-T94 VanDerWaalsContact O-N 3.08Å; L91-T94 PolarHBondContact O-OG1 3.5Å; A92-T94 PolarHBondContact O-N 3.27Å
95V67.3Low76.3Confident88 Ų8879.3 Ų79.353%0.53341%0.41SS..Hα-helixtrans-77.4-37.1179.1-179.10000111.6A92 F93A92-V95 WeakPolarHBondContact O-CB 3.01Å; A92-V95 PolarHBondContact O-N 2.85Å; F93-V95 VanDerWaalsContact C-N 3.25Å; F93-V95 PolarHBondContact O-N 3.3Å
96F66.4Low76.5Confident47 Ų4781.8 Ų81.821%0.20643%0.43CS..THydrogen-bonded Turntrans-10734.1-177.1-59.1-71.4000112.7A92 F93 D98 D99 V171 V174A92-F96 WeakPolarHBondContact O-CD2 3.41Å; A92-F96 PolarHBondContact O-N 2.82Å; F93-F96 PolarHBondContact O-N 3.04Å; F96-D98 PolarHBondContact O-N 3.36Å; F96-D98 VanDerWaalsContact O-N 3.14Å; F96-D99 HydrophobicContact CB-CB 4.47Å; F96-D99 PolarHBondContact O-N 3.44Å; F96-V171 HydrophobicContact CB-CG2 4.4Å; F96-V171 HydrophobicContact CD1-CG2 3.7Å; F96-V171 HydrophobicContact CE1-CG2 4.25Å; F96-V171 HydrophobicContact CG-CG1 4.46Å; F96-V171 HydrophobicContact CG-CG2 4.15Å; F96-V174 HydrophobicContact CE2-CG2 4.23Å; F96-V174 HydrophobicContact CZ-CG2 3.8Å
97R69.3Low76.7Confident203 Ų20381.3 Ų81.377%0.76643%0.425SS*.G310 helixtrans-53.8-37.9-175.7-176.4177.1177.6150.50.6112.7F93 D99 F100F93-R97 PolarHBondContact O-N 3.2Å; R97-D99 VanDerWaalsContact C-N 3.28Å; R97-D99 PolarHBondContact O-N 3.28Å; R97-F100 WeakPolarHBondContact O-CB 3.47Å; R97-F100 PolarHBondContact O-N 2.87Å
98D66.8Low77.1Confident161 Ų16180.3 Ų80.386%0.86142%0.416SS*.G310 helixtrans-72.7-20.4-177.6-58.2-31.8000113.1F96F96-D98 PolarHBondContact O-N 3.36Å; F96-D98 VanDerWaalsContact O-N 3.14Å
99D67.8Low77.7Confident84 Ų8480.1 Ų80.145%0.44942%0.418SS..G310 helixtrans-96.810.4179.5-70.6-54.6000112.6F96 R97 N101 V171F96-D99 HydrophobicContact CB-CB 4.47Å; F96-D99 PolarHBondContact O-N 3.44Å; R97-D99 VanDerWaalsContact C-N 3.28Å; R97-D99 PolarHBondContact O-N 3.28Å; D99-N101 PolarHBondContact O-N 3.39Å; D99-V171 HydrophobicContact CB-CG2 3.65Å; D99-V171 WeakPolarHBondContact OD2-CG2 3.31Å
100F71.5Confident78.3Confident125 Ų12582.5 Ų82.555%0.54843%0.428SS..  trans-69.991.8-178.6-165.9-95.7000111.6R97 F104 V105R97-F100 WeakPolarHBondContact O-CB 3.47Å; R97-F100 PolarHBondContact O-N 2.87Å; F100-F104 HydrophobicContact CD2-CD1 4.06Å; F100-F104 HydrophobicContact CD2-CE1 4.26Å; F100-V105 HydrophobicContact CE1-CG2 4.22Å; F100-V105 HydrophobicContact CE2-CG2 3.74Å; F100-V105 HydrophobicContact CZ-CG2 3.54Å
101N80.5Confident79Confident88 Ų8879.7 Ų79.747%0.47141%0.408SS..  trans-120.1159.7177-163.7-18.2000110.2D99 R103 F104 V105D99-N101 PolarHBondContact O-N 3.39Å; N101-R103 PolarHBondContact O-N 2.97Å; N101-R103 VanDerWaalsContact O-N 3.14Å; N101-F104 WeakPolarHBondContact O-CA 3.35Å; N101-F104 VanDerWaalsContact O-CB 3.31Å; N101-F104 WeakPolarHBondContact O-CB 3.31Å; N101-F104 PolarHBondContact O-N 2.95Å; N101-V105 PolarHBondContact O-N 3.46Å
102S81.9Confident79.9Confident68 Ų6876.9 Ų76.948%0.47639%0.391SS..Hα-helixtrans-54.5-34.3175.8600000112.5F104 V105 A106S102-F104 PolarHBondContact O-N 3.13Å; S102-V105 PolarHBondContact O-N 3.28Å; S102-A106 PolarHBondContact O-N 3.39Å
103R85.6Confident81Confident179 Ų17976.7 Ų76.768%0.67539%0.386SS*.Hα-helixtrans-61.3-41.1173.5-65.1-177.9-177.1166.71112.6N101 A106 Q107N101-R103 PolarHBondContact O-N 2.97Å; N101-R103 VanDerWaalsContact O-N 3.14Å; R103-A106 PolarHBondContact O-N 3.42Å; R103-Q107 WeakPolarHBondContact O-CG 3.26Å; R103-Q107 PolarHBondContact O-N 3.37Å
104F84.3Confident82.2Confident14 Ų1475.3 Ų75.36%0.06138%0.38CS..Hα-helixtrans-66.7-42.8179.7174.8-101.2000111.2F93 F100 N101 S102 A106 Q107 F108 V171 F175F93-F104 HydrophobicContact CD1-CD1 4.41Å; F93-F104 AromaticContact CD1-CE1 3.18Å; F93-F104 HydrophobicContact CD1-CE1 3.18Å; F93-F104 AromaticContact CD1-CZ 3.45Å; F93-F104 HydrophobicContact CD1-CZ 3.45Å; F93-F104 VanDerWaalsContact CD1-CZ 3.45Å; F93-F104 HydrophobicContact CE1-CD1 4.07Å; F93-F104 AromaticContact CE1-CE1 3.07Å; F93-F104 HydrophobicContact CE1-CE1 3.07Å; F93-F104 AromaticContact CE1-CZ 3.42Å; F93-F104 HydrophobicContact CE1-CZ 3.42Å; F93-F104 VanDerWaalsContact CE1-CZ 3.42Å; F93-F104 HydrophobicContact CG-CE1 4.27Å; F93-F104 HydrophobicContact CZ-CE1 4.12Å; F100-F104 HydrophobicContact CD2-CD1 4.06Å; F100-F104 HydrophobicContact CD2-CE1 4.26Å; N101-F104 WeakPolarHBondContact O-CA 3.35Å; N101-F104 VanDerWaalsContact O-CB 3.31Å; N101-F104 WeakPolarHBondContact O-CB 3.31Å; N101-F104 PolarHBondContact O-N 2.95Å; S102-F104 PolarHBondContact O-N 3.13Å; F104-A106 VanDerWaalsContact C-N 3.32Å; F104-A106 PolarHBondContact O-N 3.4Å; F104-Q107 PolarHBondContact O-N 2.98Å; F104-F108 PolarHBondContact O-N 3.16Å; F104-V171 HydrophobicContact CD2-CG1 3.7Å; F104-V171 HydrophobicContact CE2-CG1 3.4Å; F104-F175 AromaticContact CD2-CE2 3.46Å; F104-F175 HydrophobicContact CD2-CE2 3.46Å; F104-F175 VanDerWaalsContact CD2-CE2 3.46Å; F104-F175 AromaticContact CD2-CZ 3.7Å; F104-F175 HydrophobicContact CD2-CZ 3.7Å; F104-F175 AromaticContact CE2-CE2 3.42Å; F104-F175 HydrophobicContact CE2-CE2 3.42Å; F104-F175 VanDerWaalsContact CE2-CE2 3.42Å; F104-F175 AromaticContact CE2-CZ 3.45Å; F104-F175 HydrophobicContact CE2-CZ 3.45Å; F104-F175 VanDerWaalsContact CE2-CZ 3.45Å; F104-F175 HydrophobicContact CZ-CZ 4.25Å
105V85.4Confident83.3Confident55 Ų5572.1 Ų72.133%0.33336%0.357SS..Hα-helixtrans-61.5-40.8173.7179.80000111.4F100 N101 S102 F108 T109F100-V105 HydrophobicContact CE1-CG2 4.22Å; F100-V105 HydrophobicContact CE2-CG2 3.74Å; F100-V105 HydrophobicContact CZ-CG2 3.54Å; N101-V105 PolarHBondContact O-N 3.46Å; S102-V105 PolarHBondContact O-N 3.28Å; V105-F108 PolarHBondContact O-N 3.1Å; V105-T109 WeakPolarHBondContact O-CB 3.06Å; V105-T109 PolarHBondContact O-N 2.94Å; V105-T109 PolarHBondContact O-OG1 3.44Å
106A88.6Confident84.6Confident58 Ų5868.7 Ų68.748%0.47934%0.337SS..Hα-helixtrans-63.7-44.717600000112.2S102 R103 F104 F108 T109 Q110S102-A106 PolarHBondContact O-N 3.39Å; R103-A106 PolarHBondContact O-N 3.42Å; F104-A106 VanDerWaalsContact C-N 3.32Å; F104-A106 PolarHBondContact O-N 3.4Å; A106-F108 VanDerWaalsContact C-N 3.35Å; A106-F108 PolarHBondContact O-N 3.26Å; A106-T109 PolarHBondContact O-N 3.29Å; A106-Q110 WeakPolarHBondContact O-CB 3.44Å; A106-Q110 PolarHBondContact O-N 2.68Å
107Q89.9Confident85.9Confident45 Ų4566.7 Ų66.721%0.2133%0.328CS..Hα-helixtrans-63.3-40176.9-73.2-177.4-48.300112.6R103 F104 Q110 L111 F175R103-Q107 WeakPolarHBondContact O-CG 3.26Å; R103-Q107 PolarHBondContact O-N 3.37Å; F104-Q107 PolarHBondContact O-N 2.98Å; Q107-Q110 PolarHBondContact O-N 3.3Å; Q107-L111 WeakPolarHBondContact O-CB 3.49Å; Q107-L111 PolarHBondContact O-N 3.18Å; Q107-F175 HydrophobicContact CB-CD1 4.41Å; Q107-F175 HydrophobicContact CB-CD2 4.37Å; Q107-F175 HydrophobicContact CB-CE1 4.15Å; Q107-F175 HydrophobicContact CB-CE2 4.08Å; Q107-F175 HydrophobicContact CB-CZ 3.97Å
108F89.9Confident87.2Confident33 Ų3357.1 Ų57.115%0.14529%0.292CS..Hα-helixtrans-64.2-47.2174.1175-107.3000112.1T89 F93 F104 V105 A106 Q110 L111 F112 F175T89-F108 VanDerWaalsContact CB-CE2 3.44Å; T89-F108 VanDerWaalsContact CB-CZ 3.48Å; T89-F108 HydrophobicContact CG2-CD1 3.96Å; T89-F108 HydrophobicContact CG2-CD2 3.23Å; T89-F108 HydrophobicContact CG2-CE1 3.73Å; T89-F108 HydrophobicContact CG2-CE2 3.03Å; T89-F108 HydrophobicContact CG2-CG 3.72Å; T89-F108 HydrophobicContact CG2-CZ 3.28Å; T89-F108 WeakPolarHBondContact OG1-CE2 3.05Å; T89-F108 WeakPolarHBondContact OG1-CZ 3.35Å; F93-F108 HydrophobicContact CE1-CB 4.38Å; F93-F108 HydrophobicContact CE1-CG 4.25Å; F93-F108 HydrophobicContact CZ-CB 4.2Å; F93-F108 AromaticContact CZ-CD1 3.77Å; F93-F108 HydrophobicContact CZ-CD1 3.77Å; F93-F108 HydrophobicContact CZ-CD2 4.47Å; F93-F108 HydrophobicContact CZ-CE1 4.36Å; F93-F108 AromaticContact CZ-CG 3.82Å; F93-F108 HydrophobicContact CZ-CG 3.82Å; F104-F108 PolarHBondContact O-N 3.16Å; V105-F108 PolarHBondContact O-N 3.1Å; A106-F108 VanDerWaalsContact C-N 3.35Å; A106-F108 PolarHBondContact O-N 3.26Å; F108-Q110 VanDerWaalsContact C-N 3.25Å; F108-Q110 PolarHBondContact O-N 2.76Å; F108-L111 PolarHBondContact O-N 3.43Å; F108-L111 VanDerWaalsContact O-N 3.15Å; F108-F112 HydrophobicContact CE1-CB 4.49Å; F108-F112 HydrophobicContact CE2-CB 4.34Å; F108-F112 HydrophobicContact CZ-CB 4.09Å; F108-F112 HydrophobicContact CZ-CD2 4.48Å; F108-F112 HydrophobicContact CZ-CG 4.5Å; F108-F112 WeakPolarHBondContact O-CB 3.18Å; F108-F112 PolarHBondContact O-N 3.21Å; F108-F175 HydrophobicContact CB-CE1 4.24Å; F108-F175 HydrophobicContact CB-CZ 4.33Å
109T90.1Very high88.5Confident52 Ų5250.7 Ų50.732%0.31926%0.256SS..Hα-helixtrans-58.1-42.2178-55.70000110.8V55 V105 A106 F113V55-T109 HydrophobicContact CG1-CG2 4.18Å; V55-T109 HydrophobicContact CG2-CG2 4.12Å; V105-T109 WeakPolarHBondContact O-CB 3.06Å; V105-T109 PolarHBondContact O-N 2.94Å; V105-T109 PolarHBondContact O-OG1 3.44Å; A106-T109 PolarHBondContact O-N 3.29Å; T109-F113 VanDerWaalsContact O-CB 3.29Å; T109-F113 WeakPolarHBondContact O-CB 3.48Å; T109-F113 PolarHBondContact O-N 3.23Å
110Q93.4Very high89.7Confident72 Ų7247.2 Ų47.234%0.33624%0.237SC..Hα-helixtrans-63.9-45.4175.8-171.8175.815.700112.3A106 Q107 F108 F113 F114 H156A106-Q110 WeakPolarHBondContact O-CB 3.44Å; A106-Q110 PolarHBondContact O-N 2.68Å; Q107-Q110 PolarHBondContact O-N 3.3Å; F108-Q110 VanDerWaalsContact C-N 3.25Å; F108-Q110 PolarHBondContact O-N 2.76Å; Q110-F113 WeakPolarHBondContact O-CB 3.41Å; Q110-F113 PolarHBondContact O-N 3.06Å; Q110-F114 HydrophobicContact CG-CD2 3.83Å; Q110-F114 HydrophobicContact CG-CE2 3.52Å; Q110-F114 WeakPolarHBondContact O-CD2 3.4Å; Q110-F114 PolarHBondContact O-N 3.22Å; Q110-F114 VanDerWaalsContact O-N 3.1Å; Q110-H156 PolarHBondContact NE2-CE1 2.82Å; Q110-H156 PolarHBondContact NE2-NE2 3.48Å; Q110-H156 PolarHBondContact OE1-CE1 3.37Å; Q110-H156 VanDerWaalsContact OE1-CE1 3.28Å
111L93.7Very high90.8Very high10 Ų1041.3 Ų41.35%0.05221%0.211CC..Hα-helixtrans-61.7-48.4178177.266.8000111.1Q107 F108 F113 F114 K115 F175 E178 Y179 L182Q107-L111 WeakPolarHBondContact O-CB 3.49Å; Q107-L111 PolarHBondContact O-N 3.18Å; F108-L111 PolarHBondContact O-N 3.43Å; F108-L111 VanDerWaalsContact O-N 3.15Å; L111-F113 VanDerWaalsContact C-N 3.31Å; L111-F113 PolarHBondContact O-N 3.44Å; L111-F114 PolarHBondContact O-N 2.72Å; L111-K115 WeakPolarHBondContact O-CB 3.29Å; L111-K115 PolarHBondContact O-N 2.98Å; L111-F175 HydrophobicContact CD2-CD1 4.02Å; L111-F175 HydrophobicContact CD2-CE1 4.34Å; L111-E178 HydrophobicContact CD1-CB 3.86Å; L111-E178 HydrophobicContact CD2-CB 3.67Å; L111-E178 HydrophobicContact CD2-CG 3.8Å; L111-E178 HydrophobicContact CG-CB 4.43Å; L111-Y179 VanDerWaalsContact CA-OH 3.31Å; L111-Y179 WeakPolarHBondContact CA-OH 3.37Å; L111-Y179 HydrophobicContact CB-CE2 4.38Å; L111-Y179 HydrophobicContact CD1-CD1 4.05Å; L111-Y179 HydrophobicContact CD1-CD2 4.2Å; L111-Y179 HydrophobicContact CD1-CE1 3.81Å; L111-Y179 HydrophobicContact CD1-CE2 3.96Å; L111-Y179 HydrophobicContact CD1-CG 4.23Å; L111-Y179 PolarHBondContact N-OH 3.16Å; L111-L182 HydrophobicContact CD1-CD1 3.61Å
112F93.1Very high91.4Very high53 Ų5339 Ų3923%0.23220%0.198CC..Hα-helixtrans-60.6-41.7178.8-179.6-100.9000111.8A82 A85 V86 F108 K115 C116A82-F112 HydrophobicContact CB-CE2 4.05Å; A82-F112 HydrophobicContact CB-CZ 3.77Å; A85-F112 HydrophobicContact CB-CE2 4.38Å; V86-F112 HydrophobicContact CG2-CD2 4.43Å; V86-F112 HydrophobicContact CG2-CE2 3.83Å; V86-F112 HydrophobicContact CG2-CZ 4.1Å; F108-F112 HydrophobicContact CE1-CB 4.49Å; F108-F112 HydrophobicContact CE2-CB 4.34Å; F108-F112 HydrophobicContact CZ-CB 4.09Å; F108-F112 HydrophobicContact CZ-CD2 4.48Å; F108-F112 HydrophobicContact CZ-CG 4.5Å; F108-F112 WeakPolarHBondContact O-CB 3.18Å; F108-F112 PolarHBondContact O-N 3.21Å; F112-K115 PolarHBondContact O-N 3.13Å; F112-C116 PolarHBondContact O-N 3.39Å; F112-C116 PolarHBondContact O-SG 2.95Å
113F94Very high91.9Very high20 Ų2037.1 Ų37.19%0.08818%0.181CC..Hα-helixtrans-55.6-54.2175.1179-88.3000111.6V55 L58 A59 T109 Q110 L111 C116 F117V55-F113 HydrophobicContact CG1-CD2 4.07Å; L58-F113 HydrophobicContact CB-CE2 4.41Å; L58-F113 HydrophobicContact CD2-CE2 4.28Å; L58-F113 HydrophobicContact CD2-CZ 3.96Å; L58-F113 HydrophobicContact CG-CE2 4.26Å; L58-F113 HydrophobicContact CG-CZ 3.89Å; A59-F113 HydrophobicContact CB-CD2 4.27Å; A59-F113 HydrophobicContact CB-CE2 3.64Å; T109-F113 VanDerWaalsContact O-CB 3.29Å; T109-F113 WeakPolarHBondContact O-CB 3.48Å; T109-F113 PolarHBondContact O-N 3.23Å; Q110-F113 WeakPolarHBondContact O-CB 3.41Å; Q110-F113 PolarHBondContact O-N 3.06Å; L111-F113 VanDerWaalsContact C-N 3.31Å; L111-F113 PolarHBondContact O-N 3.44Å; F113-C116 PolarHBondContact O-N 3.33Å; F113-F117 HydrophobicContact CD1-CD2 4.02Å; F113-F117 AromaticContact CD1-CE2 3.84Å; F113-F117 HydrophobicContact CD1-CE2 3.84Å; F113-F117 HydrophobicContact CD2-CE2 4.15Å; F113-F117 AromaticContact CE1-CD2 3.87Å; F113-F117 HydrophobicContact CE1-CD2 3.87Å; F113-F117 AromaticContact CE1-CE2 3.44Å; F113-F117 HydrophobicContact CE1-CE2 3.44Å; F113-F117 VanDerWaalsContact CE1-CE2 3.44Å; F113-F117 AromaticContact CE2-CE2 3.82Å; F113-F117 HydrophobicContact CE2-CE2 3.82Å; F113-F117 HydrophobicContact CE2-CZ 4.47Å; F113-F117 HydrophobicContact CG-CE2 4.17Å; F113-F117 HydrophobicContact CZ-CD2 4.31Å; F113-F117 AromaticContact CZ-CE2 3.43Å; F113-F117 HydrophobicContact CZ-CE2 3.43Å; F113-F117 VanDerWaalsContact CZ-CE2 3.43Å; F113-F117 HydrophobicContact CZ-CZ 4.16Å; F113-F117 WeakPolarHBondContact O-CD2 3.47Å
114F95.2Very high92.2Very high24 Ų2429.7 Ų29.711%0.10515%0.153CC..Hα-helixtrans-70.4-33.6-179.8-68.7-62000113Q110 L111 C116 F117 H118 L149 V152 Y179Q110-F114 HydrophobicContact CG-CD2 3.83Å; Q110-F114 HydrophobicContact CG-CE2 3.52Å; Q110-F114 WeakPolarHBondContact O-CD2 3.4Å; Q110-F114 PolarHBondContact O-N 3.22Å; Q110-F114 VanDerWaalsContact O-N 3.1Å; L111-F114 PolarHBondContact O-N 2.72Å; F114-C116 VanDerWaalsContact C-N 3.29Å; F114-C116 PolarHBondContact O-N 3.33Å; F114-F117 PolarHBondContact O-N 3.49Å; F114-F117 VanDerWaalsContact O-N 3.08Å; F114-H118 PolarHBondContact O-N 2.98Å; F114-H118 PolarHBondContact O-ND1 3.1Å; F114-L149 HydrophobicContact CD1-CD2 3.84Å; F114-V152 HydrophobicContact CD1-CG1 4.09Å; F114-V152 HydrophobicContact CD2-CG1 3.67Å; F114-V152 HydrophobicContact CE1-CB 4.47Å; F114-V152 HydrophobicContact CE1-CG1 3.93Å; F114-V152 HydrophobicContact CE1-CG2 4.08Å; F114-V152 HydrophobicContact CE2-CG1 3.49Å; F114-V152 VanDerWaalsContact CE2-CG1 3.49Å; F114-V152 HydrophobicContact CG-CG1 3.98Å; F114-V152 HydrophobicContact CZ-CB 4.46Å; F114-V152 HydrophobicContact CZ-CG1 3.64Å; F114-V152 HydrophobicContact CZ-CG2 4.03Å; F114-Y179 HydrophobicContact CD2-CE1 4.42Å
115K94.9Very high92.6Very high35 Ų3529 Ų2915%0.15215%0.15CC..Hα-helixtrans-60.5-38.3175.7-169.9161.5-167.9168.10111.7L111 F112 F117 H118 W119 E178 L182L111-K115 WeakPolarHBondContact O-CB 3.29Å; L111-K115 PolarHBondContact O-N 2.98Å; F112-K115 PolarHBondContact O-N 3.13Å; K115-F117 VanDerWaalsContact C-N 3.35Å; K115-F117 PolarHBondContact O-N 3.37Å; K115-H118 WeakPolarHBondContact O-CB 3.42Å; K115-H118 PolarHBondContact O-N 3.44Å; K115-W119 HydrophobicContact CD-CZ2 4.08Å; K115-W119 HydrophobicContact CG-CD2 4.5Å; K115-W119 HydrophobicContact CG-CH2 4.24Å; K115-W119 HydrophobicContact CG-CZ2 3.71Å; K115-W119 PolarHBondContact O-N 3.06Å; K115-W119 VanDerWaalsContact O-N 3.11Å; K115-E178 IonicContact NZ-OE2 3.43Å; K115-E178 PolarHBondContact NZ-OE2 3.16Å; K115-L182 HydrophobicContact CB-CD1 4.41Å; K115-L182 HydrophobicContact CB-CD2 4.27Å; K115-L182 HydrophobicContact CG-CD2 4.05Å
116C93.9Very high92.8Very high17 Ų1728.2 Ų28.212%0.11514%0.144CC..Hα-helixtrans-60.8-41.8172.6-66.60000112.2F112 F113 F114 W119 M120F112-C116 PolarHBondContact O-N 3.39Å; F112-C116 PolarHBondContact O-SG 2.95Å; F113-C116 PolarHBondContact O-N 3.33Å; F114-C116 VanDerWaalsContact C-N 3.29Å; F114-C116 PolarHBondContact O-N 3.33Å; C116-W119 PolarHBondContact O-N 3.01Å; C116-M120 HydrophobicContact CB-CE 4.33Å; C116-M120 WeakPolarHBondContact O-CE 3.21Å; C116-M120 WeakPolarHBondContact O-CG 3.38Å; C116-M120 PolarHBondContact O-N 3.44Å
117F95.1Very high92.9Very high5 Ų529.7 Ų29.72%0.02214%0.138CC..Hα-helixtrans-70-31.5177.9-70-67.3000113.6F62 L63 F67 F113 F114 K115 M120 A121 L149F62-F117 HydrophobicContact CB-CE1 4.16Å; F62-F117 HydrophobicContact CB-CE2 4.35Å; F62-F117 HydrophobicContact CB-CZ 3.77Å; F62-F117 AromaticContact CD1-CD1 3.33Å; F62-F117 HydrophobicContact CD1-CD1 3.33Å; F62-F117 AromaticContact CD1-CD2 3.95Å; F62-F117 HydrophobicContact CD1-CD2 3.95Å; F62-F117 AromaticContact CD1-CE1 3.19Å; F62-F117 HydrophobicContact CD1-CE1 3.19Å; F62-F117 AromaticContact CD1-CE2 3.83Å; F62-F117 HydrophobicContact CD1-CE2 3.83Å; F62-F117 AromaticContact CD1-CG 3.74Å; F62-F117 HydrophobicContact CD1-CG 3.74Å; F62-F117 AromaticContact CD1-CZ 3.46Å; F62-F117 HydrophobicContact CD1-CZ 3.46Å; F62-F117 VanDerWaalsContact CD1-CZ 3.46Å; F62-F117 HydrophobicContact CE1-CB 4.11Å; F62-F117 AromaticContact CE1-CD1 3.47Å; F62-F117 HydrophobicContact CE1-CD1 3.47Å; F62-F117 VanDerWaalsContact CE1-CD1 3.47Å; F62-F117 AromaticContact CE1-CD2 3.96Å; F62-F117 HydrophobicContact CE1-CD2 3.96Å; F62-F117 AromaticContact CE1-CE1 3.87Å; F62-F117 HydrophobicContact CE1-CE1 3.87Å; F62-F117 HydrophobicContact CE1-CE2 4.32Å; F62-F117 AromaticContact CE1-CG 3.55Å; F62-F117 HydrophobicContact CE1-CG 3.55Å; F62-F117 HydrophobicContact CE1-CZ 4.27Å; F62-F117 HydrophobicContact CG-CD1 4.48Å; F62-F117 HydrophobicContact CG-CE1 4.06Å; F62-F117 HydrophobicContact CG-CE2 4.2Å; F62-F117 AromaticContact CG-CZ 3.9Å; F62-F117 HydrophobicContact CG-CZ 3.9Å; L63-F117 HydrophobicContact CD2-CE1 3.86Å; L63-F117 HydrophobicContact CG-CE1 3.94Å; L63-F117 HydrophobicContact CG-CZ 4.31Å; F67-F117 AromaticContact CE2-CD1 3.81Å; F67-F117 HydrophobicContact CE2-CD1 3.81Å; F67-F117 HydrophobicContact CE2-CE1 4.34Å; F113-F117 HydrophobicContact CD1-CD2 4.02Å; F113-F117 AromaticContact CD1-CE2 3.84Å; F113-F117 HydrophobicContact CD1-CE2 3.84Å; F113-F117 HydrophobicContact CD2-CE2 4.15Å; F113-F117 AromaticContact CE1-CD2 3.87Å; F113-F117 HydrophobicContact CE1-CD2 3.87Å; F113-F117 AromaticContact CE1-CE2 3.44Å; F113-F117 HydrophobicContact CE1-CE2 3.44Å; F113-F117 VanDerWaalsContact CE1-CE2 3.44Å; F113-F117 AromaticContact CE2-CE2 3.82Å; F113-F117 HydrophobicContact CE2-CE2 3.82Å; F113-F117 HydrophobicContact CE2-CZ 4.47Å; F113-F117 HydrophobicContact CG-CE2 4.17Å; F113-F117 HydrophobicContact CZ-CD2 4.31Å; F113-F117 AromaticContact CZ-CE2 3.43Å; F113-F117 HydrophobicContact CZ-CE2 3.43Å; F113-F117 VanDerWaalsContact CZ-CE2 3.43Å; F113-F117 HydrophobicContact CZ-CZ 4.16Å; F113-F117 WeakPolarHBondContact O-CD2 3.47Å; F114-F117 PolarHBondContact O-N 3.49Å; F114-F117 VanDerWaalsContact O-N 3.08Å; K115-F117 VanDerWaalsContact C-N 3.35Å; K115-F117 PolarHBondContact O-N 3.37Å; F117-M120 HydrophobicContact CB-CE 4.49Å; F117-M120 HydrophobicContact CD1-CE 3.27Å; F117-M120 HydrophobicContact CE1-CE 3.42Å; F117-M120 VanDerWaalsContact CE1-CE 3.42Å; F117-M120 HydrophobicContact CG-CE 3.96Å; F117-M120 HydrophobicContact CZ-CE 4.22Å; F117-M120 PolarHBondContact O-N 3.29Å; F117-A121 WeakPolarHBondContact O-CB 3.15Å; F117-A121 PolarHBondContact O-N 2.74Å; F117-L149 HydrophobicContact CB-CD1 4.18Å; F117-L149 HydrophobicContact CB-CD2 4Å
118H95.2Very high92.8Very high1 Ų128.2 Ų28.21%0.00513%0.131CC..Hα-helixtrans-62.7-47.3170.6-77.184.1000111.9F114 K115 M120 A121 E122 D153 L182F114-H118 PolarHBondContact O-N 2.98Å; F114-H118 PolarHBondContact O-ND1 3.1Å; K115-H118 WeakPolarHBondContact O-CB 3.42Å; K115-H118 PolarHBondContact O-N 3.44Å; H118-M120 VanDerWaalsContact C-N 3.33Å; H118-M120 PolarHBondContact O-N 2.91Å; H118-A121 PolarHBondContact O-N 3.44Å; H118-E122 PolarHBondContact O-N 3.4Å; H118-E122 VanDerWaalsContact O-N 3.08Å; H118-D153 IonicContact CE1-OD1 2.71Å; H118-D153 IonicContact CE1-OD2 2.63Å; H118-D153 PolarHBondContact CE1-OD2 3.22Å; H118-D153 VanDerWaalsContact CE1-OD2 3.24Å; H118-D153 IonicContact NE2-OD2 3.21Å; H118-D153 PolarHBondContact NE2-OD2 2.91Å; H118-L182 HydrophobicContact CB-CD2 4.08Å
119W94Very high92.5Very high27 Ų2731.2 Ų31.210%0.10215%0.146CC..Hα-helixtrans-60.8-42.2175.4-62.1-27.7000112V78 R81 A82 A85 K115 C116 A121 E122 E123V78-W119 HydrophobicContact CG1-CE3 4.47Å; V78-W119 HydrophobicContact CG2-CB 4.45Å; R81-W119 VanDerWaalsContact C-CH2 3.46Å; R81-W119 HydrophobicContact CB-CD2 3.97Å; R81-W119 HydrophobicContact CB-CE3 3.73Å; R81-W119 HydrophobicContact CB-CH2 3.76Å; R81-W119 HydrophobicContact CB-CZ2 3.97Å; R81-W119 HydrophobicContact CB-CZ3 3.64Å; R81-W119 VanDerWaalsContact O-CH2 3.31Å; R81-W119 WeakPolarHBondContact O-CH2 3.22Å; A82-W119 HydrophobicContact CB-CZ3 4.18Å; A85-W119 HydrophobicContact CB-CH2 3.67Å; A85-W119 HydrophobicContact CB-CZ2 4.23Å; K115-W119 HydrophobicContact CD-CZ2 4.08Å; K115-W119 HydrophobicContact CG-CD2 4.5Å; K115-W119 HydrophobicContact CG-CH2 4.24Å; K115-W119 HydrophobicContact CG-CZ2 3.71Å; K115-W119 PolarHBondContact O-N 3.06Å; K115-W119 VanDerWaalsContact O-N 3.11Å; C116-W119 PolarHBondContact O-N 3.01Å; W119-A121 PolarHBondContact O-N 3.04Å; W119-E122 PolarHBondContact O-N 3.12Å; W119-E123 WeakPolarHBondContact O-CG 3.47Å; W119-E123 PolarHBondContact O-N 3.39Å; W119-E123 VanDerWaalsContact O-N 3.1Å
120M93.5Very high92.4Very high11 Ų1138 Ų385%0.05417%0.166CC..Hα-helixtrans-66.6-36.9177.5-72.1-174.7-78.100112.8L63 F67 L70 V78 C116 F117 H118 R124L63-M120 HydrophobicContact CD2-CE 3.77Å; L63-M120 HydrophobicContact CD2-SD 3.55Å; L63-M120 VanDerWaalsContact CD2-SD 3.55Å; F67-M120 HydrophobicContact CD1-CB 4.38Å; F67-M120 HydrophobicContact CE1-CB 3.46Å; F67-M120 VanDerWaalsContact CE1-CB 3.46Å; F67-M120 HydrophobicContact CE2-CB 4.35Å; F67-M120 HydrophobicContact CZ-CB 3.43Å; F67-M120 VanDerWaalsContact CZ-CB 3.43Å; L70-M120 HydrophobicContact CD1-SD 3.92Å; V78-M120 HydrophobicContact CG2-CG 3.45Å; V78-M120 VanDerWaalsContact CG2-CG 3.45Å; V78-M120 HydrophobicContact CG2-SD 4.42Å; C116-M120 HydrophobicContact CB-CE 4.33Å; C116-M120 WeakPolarHBondContact O-CE 3.21Å; C116-M120 WeakPolarHBondContact O-CG 3.38Å; C116-M120 PolarHBondContact O-N 3.44Å; F117-M120 HydrophobicContact CB-CE 4.49Å; F117-M120 HydrophobicContact CD1-CE 3.27Å; F117-M120 HydrophobicContact CE1-CE 3.42Å; F117-M120 VanDerWaalsContact CE1-CE 3.42Å; F117-M120 HydrophobicContact CG-CE 3.96Å; F117-M120 HydrophobicContact CZ-CE 4.22Å; F117-M120 PolarHBondContact O-N 3.29Å; H118-M120 VanDerWaalsContact C-N 3.33Å; H118-M120 PolarHBondContact O-N 2.91Å; M120-R124 WeakPolarHBondContact O-CB 3.35Å; M120-R124 WeakPolarHBondContact O-CG 3.39Å; M120-R124 PolarHBondContact O-N 3.46Å
121A94.3Very high91.9Very high0 Ų036.1 Ų36.10%016%0.159CC..Hα-helixtrans-63.1-43.6176.200000111.5F117 H118 W119 R124 V125 L145 I186 V189F117-A121 WeakPolarHBondContact O-CB 3.15Å; F117-A121 PolarHBondContact O-N 2.74Å; H118-A121 PolarHBondContact O-N 3.44Å; W119-A121 PolarHBondContact O-N 3.04Å; A121-R124 PolarHBondContact O-N 2.96Å; A121-V125 WeakPolarHBondContact O-CG2 3.18Å; A121-V125 PolarHBondContact O-N 3.3Å; A121-L145 HydrophobicContact CB-CD2 3.82Å; A121-I186 HydrophobicContact CB-CD1 4.47Å; A121-V189 HydrophobicContact CB-CG1 4.19Å
122E93.2Very high90.9Very high40 Ų4041.7 Ų41.719%0.18720%0.196CC..Hα-helixtrans-57.5-53.9174.5-176.8-177.9-149.400111.4R81 H118 W119 R124 V125 D126 V189R81-E122 IonicContact CZ-OE2 3.32Å; R81-E122 IonicContact NH1-OE2 2.63Å; R81-E122 PolarHBondContact NH1-OE2 3.11Å; R81-E122 IonicContact NH2-OE2 3.15Å; H118-E122 PolarHBondContact O-N 3.4Å; H118-E122 VanDerWaalsContact O-N 3.08Å; W119-E122 PolarHBondContact O-N 3.12Å; E122-R124 VanDerWaalsContact C-N 3.28Å; E122-R124 PolarHBondContact O-N 3.32Å; E122-V125 PolarHBondContact O-N 2.97Å; E122-V125 VanDerWaalsContact O-N 3.15Å; E122-D126 PolarHBondContact O-N 3.4Å; E122-V189 HydrophobicContact CB-CG2 4.07Å
123E91.9Very high90.3Very high28 Ų2844.8 Ų44.813%0.13122%0.218CC..Hα-helixtrans-61.2-33.4-179.5-66.2-74.6151.100113E74 N77 R81 W119 Y127E74-E123 HydrophobicContact CG-CB 4.48Å; N77-E123 PolarHBondContact ND2-OE1 3.37Å; N77-E123 PolarHBondContact ND2-OE2 2.97Å; R81-E123 IonicContact CZ-OE1 3.7Å; R81-E123 IonicContact NH2-OE1 3.23Å; R81-E123 PolarHBondContact NH2-OE1 2.76Å; W119-E123 WeakPolarHBondContact O-CG 3.47Å; W119-E123 PolarHBondContact O-N 3.39Å; W119-E123 VanDerWaalsContact O-N 3.1Å; E123-Y127 WeakPolarHBondContact O-CB 3.46Å; E123-Y127 PolarHBondContact O-N 3.21Å
124R93.1Very high89.9Confident24 Ų2446.1 Ų46.19%0.09123%0.228CC..Hα-helixtrans-70.6-41.9175.6-79.5-75.4176.5175-7.9112.6F67 S69 E74 M120 A121 E122 Y127 M128 M142F67-R124 HydrophobicContact CD1-CG 3.68Å; F67-R124 HydrophobicContact CE1-CG 3.56Å; S69-R124 PolarHBondContact O-NH2 3.43Å; E74-R124 VanDerWaalsContact CD-NE 3.33Å; E74-R124 WeakPolarHBondContact OE1-CD 3.46Å; E74-R124 WeakPolarHBondContact OE1-CG 3.43Å; E74-R124 IonicContact OE1-CZ 3.56Å; E74-R124 IonicContact OE1-NE 2.73Å; E74-R124 PolarHBondContact OE1-NE 3.19Å; E74-R124 IonicContact OE1-NH1 3.02Å; E74-R124 IonicContact OE1-NH2 3.42Å; E74-R124 PolarHBondContact OE1-NH2 2.96Å; E74-R124 IonicContact OE2-CZ 3.11Å; E74-R124 VanDerWaalsContact OE2-CZ 3.23Å; E74-R124 IonicContact OE2-NE 3.91Å; E74-R124 PolarHBondContact OE2-NE 3.3Å; E74-R124 IonicContact OE2-NH2 3.13Å; E74-R124 PolarHBondContact OE2-NH2 3.07Å; M120-R124 WeakPolarHBondContact O-CB 3.35Å; M120-R124 WeakPolarHBondContact O-CG 3.39Å; M120-R124 PolarHBondContact O-N 3.46Å; A121-R124 PolarHBondContact O-N 2.96Å; E122-R124 VanDerWaalsContact C-N 3.28Å; E122-R124 PolarHBondContact O-N 3.32Å; R124-Y127 PolarHBondContact O-N 3.46Å; R124-M128 PolarHBondContact O-N 3.4Å; R124-M128 VanDerWaalsContact O-N 3.11Å; R124-M142 HydrophobicContact CB-CE 3.55Å; R124-M142 HydrophobicContact CG-CE 4.19Å
125V92.2Very high89.6Confident0 Ų048.9 Ų48.90%025%0.247CC..Hα-helixtrans-69.5-39.8178.7171.20000110.4A121 E122 Y127 M128 M142 V189 K192 F193 Y196A121-V125 WeakPolarHBondContact O-CG2 3.18Å; A121-V125 PolarHBondContact O-N 3.3Å; E122-V125 PolarHBondContact O-N 2.97Å; E122-V125 VanDerWaalsContact O-N 3.15Å; V125-Y127 VanDerWaalsContact C-N 3.3Å; V125-Y127 PolarHBondContact O-N 2.96Å; V125-M128 WeakPolarHBondContact O-CB 2.96Å; V125-M128 PolarHBondContact O-N 3.22Å; V125-M142 HydrophobicContact CG2-CG 4.23Å; V125-M142 HydrophobicContact CG2-SD 3.98Å; V125-V189 HydrophobicContact CB-CG1 4.28Å; V125-V189 HydrophobicContact CG2-CG1 3.68Å; V125-K192 HydrophobicContact CG1-CB 3.68Å; V125-F193 HydrophobicContact CG1-CB 4.25Å; V125-F193 HydrophobicContact CG2-CB 4.1Å; V125-F193 HydrophobicContact CG2-CD2 4.3Å; V125-Y196 HydrophobicContact CG1-CD2 3.84Å; V125-Y196 HydrophobicContact CG1-CE2 3.9Å; V125-Y196 WeakPolarHBondContact O-CE2 3.35Å
126D90.2Very high89.4Confident37 Ų3751.4 Ų51.420%0.19827%0.274CS..Hα-helixtrans-67-30.8174.8-74-13.1000112.3E122 E129 K192E122-D126 PolarHBondContact O-N 3.4Å; D126-E129 WeakPolarHBondContact O-CB 3.43Å; D126-E129 PolarHBondContact O-N 3.47Å; D126-K192 IonicContact OD1-NZ 2.95Å
127Y89.4Confident89.3Confident89 Ų8955.6 Ų55.635%0.34930%0.295SS..Hα-helixtrans-71.6-31.9172175.6-113.4000114.1R71 E123 R124 V125 E129 R130 T131R71-Y127 VanDerWaalsContact NH1-CD1 3.28Å; E123-Y127 WeakPolarHBondContact O-CB 3.46Å; E123-Y127 PolarHBondContact O-N 3.21Å; R124-Y127 PolarHBondContact O-N 3.46Å; V125-Y127 VanDerWaalsContact C-N 3.3Å; V125-Y127 PolarHBondContact O-N 2.96Å; Y127-E129 PolarHBondContact O-N 2.87Å; Y127-R130 PolarHBondContact O-N 3.16Å; Y127-T131 HydrophobicContact CE1-CG2 4.42Å; Y127-T131 VanDerWaalsContact CE1-OG1 3.28Å; Y127-T131 WeakPolarHBondContact CE1-OG1 3.45Å; Y127-T131 VanDerWaalsContact CE2-OG1 3.29Å; Y127-T131 WeakPolarHBondContact CE2-OG1 3.46Å; Y127-T131 PolarHBondContact O-N 2.74Å; Y127-T131 PolarHBondContact O-OG1 3.23Å; Y127-T131 PolarHBondContact OH-OG1 3.15Å
128M88.3Confident89.1Confident14 Ų1457.7 Ų57.77%0.06930%0.304CS..Hα-helixtrans-59.1-30.2176.7-174.1178.655.900111.3R124 V125 R130 T131 V134 F138 F193 Y196R124-M128 PolarHBondContact O-N 3.4Å; R124-M128 VanDerWaalsContact O-N 3.11Å; V125-M128 WeakPolarHBondContact O-CB 2.96Å; V125-M128 PolarHBondContact O-N 3.22Å; M128-R130 VanDerWaalsContact C-N 3.25Å; M128-R130 PolarHBondContact O-N 3.15Å; M128-T131 PolarHBondContact O-N 3.17Å; M128-T131 VanDerWaalsContact O-O 3.1Å; M128-V134 HydrophobicContact CG-CG2 3.93Å; M128-V134 HydrophobicContact SD-CG1 4.28Å; M128-V134 HydrophobicContact SD-CG2 4.08Å; M128-F138 HydrophobicContact CB-CE1 4.47Å; M128-F138 HydrophobicContact CB-CZ 4.49Å; M128-F138 HydrophobicContact CG-CE1 4.25Å; M128-F138 HydrophobicContact SD-CD1 4.41Å; M128-F138 HydrophobicContact SD-CE1 3.63Å; M128-F138 HydrophobicContact SD-CZ 4.49Å; M128-F193 HydrophobicContact CE-CD2 3.63Å; M128-F193 HydrophobicContact CE-CE2 4.14Å; M128-F193 HydrophobicContact SD-CD2 4.19Å; M128-F193 HydrophobicContact SD-CE2 4.12Å; M128-Y196 HydrophobicContact CE-CD2 3.71Å; M128-Y196 HydrophobicContact CE-CG 4Å
129E84.5Confident89Confident97 Ų9758.2 Ų58.245%0.45331%0.308SS..Hα-helixtrans-59.6-35.8173.7-173.5-178.6-161.600112.8D126 Y127 Y196D126-E129 WeakPolarHBondContact O-CB 3.43Å; D126-E129 PolarHBondContact O-N 3.47Å; Y127-E129 PolarHBondContact O-N 2.87Å; E129-Y196 HydrophobicContact CB-CE1 4.18Å; E129-Y196 HydrophobicContact CB-CE2 4.09Å; E129-Y196 HydrophobicContact CG-CE1 4.07Å; E129-Y196 PolarHBondContact OE2-OH 3.32Å
130R86.7Confident89Confident195 Ų19559.6 Ų59.674%0.73633%0.325SS*.Hα-helixtrans-89.2-10.4-174.7-56178.1-167.2157.56.7113Y127 M128Y127-R130 PolarHBondContact O-N 3.16Å; M128-R130 VanDerWaalsContact C-N 3.25Å; M128-R130 PolarHBondContact O-N 3.15Å
131T84.5Confident89.1Confident32 Ų3263.1 Ų63.120%0.19634%0.338CS..  trans-121.6117.9-170.9-54.40000110.9Y127 M128 V133Y127-T131 HydrophobicContact CE1-CG2 4.42Å; Y127-T131 VanDerWaalsContact CE1-OG1 3.28Å; Y127-T131 WeakPolarHBondContact CE1-OG1 3.45Å; Y127-T131 VanDerWaalsContact CE2-OG1 3.29Å; Y127-T131 WeakPolarHBondContact CE2-OG1 3.46Å; Y127-T131 PolarHBondContact O-N 2.74Å; Y127-T131 PolarHBondContact O-OG1 3.23Å; Y127-T131 PolarHBondContact OH-OG1 3.15Å; M128-T131 PolarHBondContact O-N 3.17Å; M128-T131 VanDerWaalsContact O-O 3.1Å; T131-V133 VanDerWaalsContact C-N 3.29Å; T131-V133 HydrophobicContact CG2-CG2 3.71Å; T131-V133 PolarHBondContact O-N 3.14Å
132P71.8Confident89.1Confident127 Ų12763.4 Ų63.483%0.82534%0.339SS*.  trans-76.2-10-173.629.3-35.2000114.7V134P132-V134 PolarHBondContact O-N 3.25Å
133V81Confident89.1Confident117 Ų11765.3 Ų65.371%0.70935%0.349SS*.  trans-97.295-176.2-95.80000111.9T131T131-V133 VanDerWaalsContact C-N 3.29Å; T131-V133 HydrophobicContact CG2-CG2 3.71Å; T131-V133 PolarHBondContact O-N 3.14Å
134V84.9Confident89.3Confident48 Ų4865.2 Ų65.229%0.29136%0.356SS..  trans-100103.7175.4-175.30000110.2M128 P132 F138 C139M128-V134 HydrophobicContact CG-CG2 3.93Å; M128-V134 HydrophobicContact SD-CG1 4.28Å; M128-V134 HydrophobicContact SD-CG2 4.08Å; P132-V134 PolarHBondContact O-N 3.25Å; V134-F138 HydrophobicContact CG1-CD1 4.32Å; V134-C139 WeakPolarHBondContact CG1-SG 3.41Å
135T90.1Very high89.5Confident82 Ų8264.1 Ų64.150%0.50335%0.352SS..  trans-81.2151.3177.363.20000111.9L137 F138 C139T135-L137 VanDerWaalsContact C-N 3.26Å; T135-L137 PolarHBondContact O-N 3.38Å; T135-F138 WeakPolarHBondContact O-CB 3.45Å; T135-F138 PolarHBondContact O-N 3.49Å; T135-F138 VanDerWaalsContact OG1-CB 3.28Å; T135-F138 WeakPolarHBondContact OG1-CB 3.4Å; T135-F138 PolarHBondContact OG1-N 2.89Å; T135-C139 PolarHBondContact O-N 3.04Å; T135-C139 VanDerWaalsContact O-N 3.12Å
136A90.3Very high89.7Confident88 Ų8865.2 Ų65.273%0.72736%0.357SS*.Hα-helixtrans-60.9-36176.100000112.5C139 A140A136-C139 PolarHBondContact O-N 3.24Å; A136-A140 WeakPolarHBondContact O-CB 2.89Å; A136-A140 PolarHBondContact O-N 3.04Å
137L91.7Very high90Very high106 Ų10666.1 Ų66.156%0.55537%0.37SS*.Hα-helixtrans-64.5-40.8175.8-177.764000111.8T135 A140 R141T135-L137 VanDerWaalsContact C-N 3.26Å; T135-L137 PolarHBondContact O-N 3.38Å; L137-A140 PolarHBondContact O-N 3.14Å; L137-R141 WeakPolarHBondContact O-CB 3.48Å; L137-R141 WeakPolarHBondContact O-CG 3.4Å; L137-R141 PolarHBondContact O-N 3.06Å
138F91.3Very high90.4Very high48 Ų4864.6 Ų64.621%0.21137%0.37CS..Hα-helixtrans-60.2-46.8173.8175.6-92.1000111.1M128 V134 T135 A140 R141 M142 F193M128-F138 HydrophobicContact CB-CE1 4.47Å; M128-F138 HydrophobicContact CB-CZ 4.49Å; M128-F138 HydrophobicContact CG-CE1 4.25Å; M128-F138 HydrophobicContact SD-CD1 4.41Å; M128-F138 HydrophobicContact SD-CE1 3.63Å; M128-F138 HydrophobicContact SD-CZ 4.49Å; V134-F138 HydrophobicContact CG1-CD1 4.32Å; T135-F138 WeakPolarHBondContact O-CB 3.45Å; T135-F138 PolarHBondContact O-N 3.49Å; T135-F138 VanDerWaalsContact OG1-CB 3.28Å; T135-F138 WeakPolarHBondContact OG1-CB 3.4Å; T135-F138 PolarHBondContact OG1-N 2.89Å; F138-A140 PolarHBondContact O-N 3.18Å; F138-R141 PolarHBondContact O-N 3.36Å; F138-M142 HydrophobicContact CE2-CE 4.14Å; F138-M142 HydrophobicContact CZ-CE 3.89Å; F138-M142 WeakPolarHBondContact O-CB 3.37Å; F138-M142 PolarHBondContact O-N 3.38Å; F138-F193 HydrophobicContact CE1-CE2 4.35Å
139C92.6Very high90.8Very high13 Ų1363.9 Ų63.99%0.08837%0.366CS..Hα-helixtrans-59.8-45.8176.2-72.90000112.4V134 T135 A136 R141 M142 M143 F193V134-C139 WeakPolarHBondContact CG1-SG 3.41Å; T135-C139 PolarHBondContact O-N 3.04Å; T135-C139 VanDerWaalsContact O-N 3.12Å; A136-C139 PolarHBondContact O-N 3.24Å; C139-R141 PolarHBondContact O-N 3.27Å; C139-M142 PolarHBondContact O-N 3.12Å; C139-M143 HydrophobicContact CB-CE 4.32Å; C139-M143 WeakPolarHBondContact O-CB 3.35Å; C139-M143 WeakPolarHBondContact O-CE 3.17Å; C139-M143 VanDerWaalsContact O-CG 3.3Å; C139-M143 WeakPolarHBondContact O-CG 3.34Å; C139-M143 PolarHBondContact O-N 3.39Å; C139-F193 HydrophobicContact CB-CZ 4.24Å
140A93.8Very high91.4Very high55 Ų5561 Ų6146%0.45536%0.357SS..Hα-helixtrans-60.8-44.1179.100000111.8A136 L137 F138 G144A136-A140 WeakPolarHBondContact O-CB 2.89Å; A136-A140 PolarHBondContact O-N 3.04Å; L137-A140 PolarHBondContact O-N 3.14Å; F138-A140 PolarHBondContact O-N 3.18Å; A140-G144 PolarHBondContact O-N 2.91Å
141R95Very high91.9Very high86 Ų8654.6 Ų54.633%0.32535%0.346SS..Hα-helixtrans-62.9-45.1175.5-75.1178.1173.7173.31.5112.3L65 F66 L137 F138 C139 G144 L145L65-R141 PolarHBondContact O-NE 3.32Å; F66-R141 WeakPolarHBondContact CD1-O 3.43Å; F66-R141 WeakPolarHBondContact O-CB 3.41Å; F66-R141 WeakPolarHBondContact O-CD 3.24Å; L137-R141 WeakPolarHBondContact O-CB 3.48Å; L137-R141 WeakPolarHBondContact O-CG 3.4Å; L137-R141 PolarHBondContact O-N 3.06Å; F138-R141 PolarHBondContact O-N 3.36Å; C139-R141 PolarHBondContact O-N 3.27Å; R141-G144 PolarHBondContact O-N 2.99Å; R141-L145 WeakPolarHBondContact O-CB 3.48Å; R141-L145 PolarHBondContact O-N 3.29Å
142M93.9Very high92.5Very high5 Ų554.5 Ų54.53%0.02535%0.345CS..Hα-helixtrans-66.8-43.5-179.2-165.156.559.600112.1R124 V125 F138 C139 G144 L145 I146 F193R124-M142 HydrophobicContact CB-CE 3.55Å; R124-M142 HydrophobicContact CG-CE 4.19Å; V125-M142 HydrophobicContact CG2-CG 4.23Å; V125-M142 HydrophobicContact CG2-SD 3.98Å; F138-M142 HydrophobicContact CE2-CE 4.14Å; F138-M142 HydrophobicContact CZ-CE 3.89Å; F138-M142 WeakPolarHBondContact O-CB 3.37Å; F138-M142 PolarHBondContact O-N 3.38Å; C139-M142 PolarHBondContact O-N 3.12Å; M142-G144 VanDerWaalsContact C-N 3.34Å; M142-G144 PolarHBondContact O-N 3.41Å; M142-L145 PolarHBondContact O-N 2.71Å; M142-L145 HydrophobicContact SD-CD2 4.21Å; M142-I146 HydrophobicContact CG-CD1 4.03Å; M142-I146 WeakPolarHBondContact O-CB 3.48Å; M142-I146 VanDerWaalsContact O-CG1 3.3Å; M142-I146 WeakPolarHBondContact O-CG1 3.42Å; M142-I146 PolarHBondContact O-N 3.18Å; M142-F193 HydrophobicContact CB-CD2 4.27Å; M142-F193 HydrophobicContact CB-CE2 3.78Å; M142-F193 HydrophobicContact CB-CZ 4.05Å; M142-F193 HydrophobicContact CG-CD2 3.64Å; M142-F193 HydrophobicContact CG-CE2 3.7Å; M142-F193 HydrophobicContact CG-CG 4.18Å; M142-F193 HydrophobicContact CG-CZ 4.26Å
143M94.9Very high93.7Very high81 Ų8148.4 Ų48.440%0.39931%0.305SS..Hα-helixtrans-62.9-41.7174.9-70.5-176.9-61.700111.5C139 I146 A147 F193C139-M143 HydrophobicContact CB-CE 4.32Å; C139-M143 WeakPolarHBondContact O-CB 3.35Å; C139-M143 WeakPolarHBondContact O-CE 3.17Å; C139-M143 VanDerWaalsContact O-CG 3.3Å; C139-M143 WeakPolarHBondContact O-CG 3.34Å; C139-M143 PolarHBondContact O-N 3.39Å; M143-I146 PolarHBondContact O-N 3.35Å; M143-A147 VanDerWaalsContact O-CB 3.31Å; M143-A147 WeakPolarHBondContact O-CB 3.45Å; M143-A147 PolarHBondContact O-N 3.4Å; M143-F193 HydrophobicContact CG-CE1 3.66Å; M143-F193 HydrophobicContact CG-CZ 4.18Å; M143-F193 HydrophobicContact SD-CE1 4.45Å
144G96Very high94.4Very high26 Ų2645.5 Ų45.527%0.26829%0.29SS..Hα-helixtrans-61.9-43174.400000112.5F66 A140 R141 M142 A147 V148F66-G144 VanDerWaalsContact CE1-C 3.46Å; A140-G144 PolarHBondContact O-N 2.91Å; R141-G144 PolarHBondContact O-N 2.99Å; M142-G144 VanDerWaalsContact C-N 3.34Å; M142-G144 PolarHBondContact O-N 3.41Å; G144-A147 PolarHBondContact O-N 2.9Å; G144-V148 WeakPolarHBondContact O-CG2 3.44Å; G144-V148 PolarHBondContact O-N 3.36Å
145L96.4Very high94.9Very high1 Ų150.3 Ų50.31%0.00530%0.304CS..Hα-helixtrans-62.4-48.9177.6177.963.2000111.4F62 F66 F67 A121 R141 M142 A147 V148 L149F62-L145 HydrophobicContact CD1-CD1 4.49Å; F62-L145 HydrophobicContact CE1-CD1 3.37Å; F62-L145 HydrophobicContact CZ-CD1 3.71Å; F66-L145 HydrophobicContact CB-CB 4.24Å; F66-L145 HydrophobicContact CB-CD1 4.16Å; F66-L145 HydrophobicContact CB-CD2 4.5Å; F66-L145 HydrophobicContact CD1-CB 3.69Å; F66-L145 HydrophobicContact CD1-CD1 4.39Å; F66-L145 HydrophobicContact CD2-CD1 4.07Å; F66-L145 HydrophobicContact CE1-CB 4.22Å; F66-L145 HydrophobicContact CG-CB 4.02Å; F66-L145 HydrophobicContact CG-CD1 3.95Å; F67-L145 HydrophobicContact CE1-CD2 4.21Å; F67-L145 HydrophobicContact CE2-CD1 4.22Å; F67-L145 HydrophobicContact CE2-CD2 3.64Å; F67-L145 HydrophobicContact CZ-CD2 3.36Å; A121-L145 HydrophobicContact CB-CD2 3.82Å; R141-L145 WeakPolarHBondContact O-CB 3.48Å; R141-L145 PolarHBondContact O-N 3.29Å; M142-L145 PolarHBondContact O-N 2.71Å; M142-L145 HydrophobicContact SD-CD2 4.21Å; L145-A147 VanDerWaalsContact C-N 3.32Å; L145-A147 PolarHBondContact O-N 3.38Å; L145-V148 PolarHBondContact O-N 2.86Å; L145-L149 HydrophobicContact CD1-CD1 3.81Å; L145-L149 HydrophobicContact CD1-CG 3.97Å; L145-L149 HydrophobicContact CG-CD1 3.99Å; L145-L149 HydrophobicContact CG-CG 4.44Å; L145-L149 WeakPolarHBondContact O-CB 3.45Å; L145-L149 WeakPolarHBondContact O-CG 3.36Å; L145-L149 PolarHBondContact O-N 2.87Å
146I96.7Very high95.2Very high22 Ų2247.1 Ų47.111%0.11328%0.283CS..Hα-helixtrans-59.6-43.5177.5-70.3164.2000110.8M142 M143 S150 I186 V189 A190 F193M142-I146 HydrophobicContact CG-CD1 4.03Å; M142-I146 WeakPolarHBondContact O-CB 3.48Å; M142-I146 VanDerWaalsContact O-CG1 3.3Å; M142-I146 WeakPolarHBondContact O-CG1 3.42Å; M142-I146 PolarHBondContact O-N 3.18Å; M143-I146 PolarHBondContact O-N 3.35Å; I146-S150 VanDerWaalsContact O-CB 3.26Å; I146-S150 WeakPolarHBondContact O-CB 3.49Å; I146-S150 PolarHBondContact O-N 2.97Å; I146-S150 PolarHBondContact O-OG 2.85Å; I146-I186 HydrophobicContact CG1-CD1 4.08Å; I146-I186 HydrophobicContact CG2-CG1 4.24Å; I146-V189 HydrophobicContact CD1-CG1 4.48Å; I146-A190 HydrophobicContact CD1-CB 4.39Å; I146-A190 HydrophobicContact CG2-CB 3.84Å; I146-F193 HydrophobicContact CD1-CB 4.29Å; I146-F193 HydrophobicContact CD1-CD1 4.27Å; I146-F193 HydrophobicContact CD1-CG 4.31Å
147A97.2Very high95.2Very high56 Ų5644.5 Ų44.546%0.46326%0.258SS..Hα-helixtrans-63.8-43.8177.500000112.3M143 G144 L145 S150 A151M143-A147 VanDerWaalsContact O-CB 3.31Å; M143-A147 WeakPolarHBondContact O-CB 3.45Å; M143-A147 PolarHBondContact O-N 3.4Å; G144-A147 PolarHBondContact O-N 2.9Å; L145-A147 VanDerWaalsContact C-N 3.32Å; L145-A147 PolarHBondContact O-N 3.38Å; A147-S150 WeakPolarHBondContact CA-OG 3.42Å; A147-S150 PolarHBondContact O-OG 3.31Å; A147-A151 VanDerWaalsContact O-CB 3.29Å; A147-A151 WeakPolarHBondContact O-CB 3.27Å; A147-A151 PolarHBondContact O-N 2.93Å
148V97Very high95.2Very high57 Ų5742 Ų4235%0.34525%0.249SC..Hα-helixtrans-67.8-46.7179.3169.80000111.4F62 F66 G144 L145 A151 V152F62-V148 HydrophobicContact CE2-CG1 3.98Å; F62-V148 HydrophobicContact CZ-CG1 4.16Å; F66-V148 HydrophobicContact CZ-CB 4.35Å; F66-V148 HydrophobicContact CZ-CG2 3.97Å; G144-V148 WeakPolarHBondContact O-CG2 3.44Å; G144-V148 PolarHBondContact O-N 3.36Å; L145-V148 PolarHBondContact O-N 2.86Å; V148-A151 PolarHBondContact O-N 3.27Å; V148-V152 HydrophobicContact CG1-CG2 4.46Å; V148-V152 WeakPolarHBondContact O-CB 3.31Å; V148-V152 VanDerWaalsContact O-CG2 3.29Å; V148-V152 WeakPolarHBondContact O-CG2 3.39Å; V148-V152 PolarHBondContact O-N 2.89Å
149L97.3Very high95.2Very high0 Ų043.2 Ų43.20%026%0.256CS..Hα-helixtrans-64-45.5179.6-68.8-179.7000111.5F62 F114 F117 L145 A151 V152 D153 I186F62-L149 HydrophobicContact CZ-CD2 4.34Å; F114-L149 HydrophobicContact CD1-CD2 3.84Å; F117-L149 HydrophobicContact CB-CD1 4.18Å; F117-L149 HydrophobicContact CB-CD2 4Å; L145-L149 HydrophobicContact CD1-CD1 3.81Å; L145-L149 HydrophobicContact CD1-CG 3.97Å; L145-L149 HydrophobicContact CG-CD1 3.99Å; L145-L149 HydrophobicContact CG-CG 4.44Å; L145-L149 WeakPolarHBondContact O-CB 3.45Å; L145-L149 WeakPolarHBondContact O-CG 3.36Å; L145-L149 PolarHBondContact O-N 2.87Å; L149-A151 VanDerWaalsContact C-N 3.34Å; L149-A151 PolarHBondContact O-N 2.89Å; L149-V152 PolarHBondContact O-N 3.15Å; L149-D153 VanDerWaalsContact O-CG 3.26Å; L149-D153 PolarHBondContact O-N 3.01Å; L149-I186 HydrophobicContact CB-CD1 4.12Å; L149-I186 HydrophobicContact CB-CG1 4.09Å; L149-I186 HydrophobicContact CD1-CD1 3.83Å
150S96.8Very high95.1Very high37 Ų3742.8 Ų42.826%0.25925%0.253SS..Hα-helixtrans-62.1-37.7176.458.30000113.3I146 A147 S154I146-S150 VanDerWaalsContact O-CB 3.26Å; I146-S150 WeakPolarHBondContact O-CB 3.49Å; I146-S150 PolarHBondContact O-N 2.97Å; I146-S150 PolarHBondContact O-OG 2.85Å; A147-S150 WeakPolarHBondContact CA-OG 3.42Å; A147-S150 PolarHBondContact O-OG 3.31Å; S150-S154 VanDerWaalsContact O-CB 3.24Å; S150-S154 WeakPolarHBondContact O-CB 3.34Å; S150-S154 PolarHBondContact O-N 2.89Å; S150-S154 PolarHBondContact O-OG 3.18Å
151A97.5Very high94.7Very high60 Ų6046.9 Ų46.950%0.49626%0.258SS..Hα-helixtrans-66.3-43.2175.400000112.2A147 V148 L149 Y155A147-A151 VanDerWaalsContact O-CB 3.29Å; A147-A151 WeakPolarHBondContact O-CB 3.27Å; A147-A151 PolarHBondContact O-N 2.93Å; V148-A151 PolarHBondContact O-N 3.27Å; L149-A151 VanDerWaalsContact C-N 3.34Å; L149-A151 PolarHBondContact O-N 2.89Å; A151-Y155 WeakPolarHBondContact O-CB 3.35Å; A151-Y155 PolarHBondContact O-N 3.02Å
152V96.8Very high94.4Very high29 Ų2948.2 Ų48.218%0.17627%0.266CS..Hα-helixtrans-62.8-49.9176.6167.10000111F114 V148 L149 S154 Y155 H156F114-V152 HydrophobicContact CD1-CG1 4.09Å; F114-V152 HydrophobicContact CD2-CG1 3.67Å; F114-V152 HydrophobicContact CE1-CB 4.47Å; F114-V152 HydrophobicContact CE1-CG1 3.93Å; F114-V152 HydrophobicContact CE1-CG2 4.08Å; F114-V152 HydrophobicContact CE2-CG1 3.49Å; F114-V152 VanDerWaalsContact CE2-CG1 3.49Å; F114-V152 HydrophobicContact CG-CG1 3.98Å; F114-V152 HydrophobicContact CZ-CB 4.46Å; F114-V152 HydrophobicContact CZ-CG1 3.64Å; F114-V152 HydrophobicContact CZ-CG2 4.03Å; V148-V152 HydrophobicContact CG1-CG2 4.46Å; V148-V152 WeakPolarHBondContact O-CB 3.31Å; V148-V152 VanDerWaalsContact O-CG2 3.29Å; V148-V152 WeakPolarHBondContact O-CG2 3.39Å; V148-V152 PolarHBondContact O-N 2.89Å; L149-V152 PolarHBondContact O-N 3.15Å; V152-S154 VanDerWaalsContact C-N 3.35Å; V152-S154 PolarHBondContact O-N 2.98Å; V152-Y155 WeakPolarHBondContact O-CB 3.45Å; V152-Y155 PolarHBondContact O-N 2.87Å; V152-H156 PolarHBondContact O-CD2 3.23Å; V152-H156 PolarHBondContact O-N 3.33Å
153D96.4Very high93.9Very high0 Ų048.9 Ų48.90%027%0.271CS..Hα-helixtrans-61.5-44.9179.8-67.3-17.7000111.1H118 L149 Y155 H156 V157 L182 L183H118-D153 IonicContact CE1-OD1 2.71Å; H118-D153 IonicContact CE1-OD2 2.63Å; H118-D153 PolarHBondContact CE1-OD2 3.22Å; H118-D153 VanDerWaalsContact CE1-OD2 3.24Å; H118-D153 IonicContact NE2-OD2 3.21Å; H118-D153 PolarHBondContact NE2-OD2 2.91Å; L149-D153 VanDerWaalsContact O-CG 3.26Å; L149-D153 PolarHBondContact O-N 3.01Å; D153-Y155 VanDerWaalsContact C-N 3.33Å; D153-Y155 PolarHBondContact O-N 2.99Å; D153-H156 PolarHBondContact O-N 3.17Å; D153-V157 WeakPolarHBondContact O-CB 3.2Å; D153-V157 VanDerWaalsContact O-CG2 3.23Å; D153-V157 WeakPolarHBondContact O-CG2 3.43Å; D153-V157 PolarHBondContact O-N 3.38Å; D153-L182 VanDerWaalsContact OD2-C 3.32Å; D153-L183 HydrophobicContact CB-CB 3.99Å; D153-L183 HydrophobicContact CB-CD1 4.08Å; D153-L183 PolarHBondContact OD2-N 3.44Å
154S95.1Very high93.2Very high56 Ų5646.5 Ų46.539%0.39226%0.26SS..Hα-helixtrans-60.8-41.7177.3-60.60000112.1S150 V152 S158S150-S154 VanDerWaalsContact O-CB 3.24Å; S150-S154 WeakPolarHBondContact O-CB 3.34Å; S150-S154 PolarHBondContact O-N 2.89Å; S150-S154 PolarHBondContact O-OG 3.18Å; V152-S154 VanDerWaalsContact C-N 3.35Å; V152-S154 PolarHBondContact O-N 2.98Å; S154-S158 VanDerWaalsContact O-CB 3.25Å; S154-S158 WeakPolarHBondContact O-CB 3.45Å; S154-S158 PolarHBondContact O-N 3.43Å
155Y96.8Very high92.2Very high148 Ų14850.4 Ų50.458%0.5828%0.275SS*.Hα-helixtrans-61.3-47.2174.9170.9-98.8000111.7A151 V152 D153 S158 H159A151-Y155 WeakPolarHBondContact O-CB 3.35Å; A151-Y155 PolarHBondContact O-N 3.02Å; V152-Y155 WeakPolarHBondContact O-CB 3.45Å; V152-Y155 PolarHBondContact O-N 2.87Å; D153-Y155 VanDerWaalsContact C-N 3.33Å; D153-Y155 PolarHBondContact O-N 2.99Å; Y155-S158 PolarHBondContact O-N 2.91Å; Y155-H159 WeakPolarHBondContact O-CB 3.36Å; Y155-H159 PolarHBondContact O-N 2.78Å
156H95Very high91.4Very high15 Ų1557.4 Ų57.47%0.06931%0.311CS..Hα-helixtrans-69.2-37.6-179.1-79.8-66.8000113.6Q110 V152 D153 A160 Y179Q110-H156 PolarHBondContact NE2-CE1 2.82Å; Q110-H156 PolarHBondContact NE2-NE2 3.48Å; Q110-H156 PolarHBondContact OE1-CE1 3.37Å; Q110-H156 VanDerWaalsContact OE1-CE1 3.28Å; V152-H156 PolarHBondContact O-CD2 3.23Å; V152-H156 PolarHBondContact O-N 3.33Å; D153-H156 PolarHBondContact O-N 3.17Å; H156-A160 VanDerWaalsContact O-CB 3.25Å; H156-A160 WeakPolarHBondContact O-CB 3.29Å; H156-A160 PolarHBondContact O-N 3.24Å; H156-Y179 HydrophobicContact CB-CD1 3.86Å; H156-Y179 HydrophobicContact CB-CD2 3.44Å; H156-Y179 VanDerWaalsContact CB-CD2 3.44Å; H156-Y179 HydrophobicContact CB-CE1 4.14Å; H156-Y179 HydrophobicContact CB-CE2 3.77Å; H156-Y179 HydrophobicContact CB-CG 3.5Å; H156-Y179 VanDerWaalsContact CB-CG 3.5Å; H156-Y179 AromaticContact CD2-CE1 3.74Å; H156-Y179 AromaticContact CD2-CZ 3.76Å; H156-Y179 AromaticContact CG-CD2 3.95Å; H156-Y179 AromaticContact CG-CE1 3.96Å; H156-Y179 AromaticContact CG-CE2 3.72Å; H156-Y179 AromaticContact CG-CZ 3.72Å; H156-Y179 AromaticContact ND1-CE2 4Å
157V91.8Very high90.5Very high34 Ų3465.8 Ų65.821%0.20634%0.342CS..Hα-helixtrans-61.8-46.3172.7172.10000110.1D153 A160 Y161 A180D153-V157 WeakPolarHBondContact O-CB 3.2Å; D153-V157 VanDerWaalsContact O-CG2 3.23Å; D153-V157 WeakPolarHBondContact O-CG2 3.43Å; D153-V157 PolarHBondContact O-N 3.38Å; V157-A160 PolarHBondContact O-N 3.47Å; V157-Y161 WeakPolarHBondContact O-CB 3.39Å; V157-Y161 PolarHBondContact O-N 3.31Å; V157-A180 HydrophobicContact CG2-CB 3.94Å
158S91.1Very high89Confident52 Ų5264.7 Ų64.736%0.36434%0.335SS..Hα-helixtrans-62-49.5177.2179.90000112S154 Y155 A160 Y161 F162S154-S158 VanDerWaalsContact O-CB 3.25Å; S154-S158 WeakPolarHBondContact O-CB 3.45Å; S154-S158 PolarHBondContact O-N 3.43Å; Y155-S158 PolarHBondContact O-N 2.91Å; S158-A160 VanDerWaalsContact C-N 3.28Å; S158-A160 PolarHBondContact O-N 3.26Å; S158-Y161 WeakPolarHBondContact O-CB 3.06Å; S158-Y161 PolarHBondContact O-N 3.09Å; S158-Y161 VanDerWaalsContact O-N 3.13Å; S158-F162 WeakPolarHBondContact O-CD2 3.43Å; S158-F162 PolarHBondContact O-N 3.48Å; S158-F162 VanDerWaalsContact OG-CE2 3.31Å; S158-F162 WeakPolarHBondContact OG-CE2 3.38Å
159H92.2Very high87.6Confident74 Ų7463.2 Ų63.234%0.34333%0.329SS..Hα-helixtrans-57.7-41.8175.9177-87.7000111.7Y155 T163 Q172Y155-H159 WeakPolarHBondContact O-CB 3.36Å; Y155-H159 PolarHBondContact O-N 2.78Å; H159-T163 PolarHBondContact CE1-OG1 3.28Å; H159-T163 VanDerWaalsContact O-CB 3.23Å; H159-T163 WeakPolarHBondContact O-CB 3.23Å; H159-T163 PolarHBondContact O-N 2.9Å; H159-T163 PolarHBondContact O-OG1 3.48Å; H159-Q172 PolarHBondContact ND1-NE2 2.92Å; H159-Q172 VanDerWaalsContact ND1-NE2 3.13Å
160A88.8Confident86.5Confident4 Ų465.2 Ų65.23%0.03334%0.343CS..Hα-helixtrans-66.1-40.1177.100000112.7H156 V157 S158 T164 Q172H156-A160 VanDerWaalsContact O-CB 3.25Å; H156-A160 WeakPolarHBondContact O-CB 3.29Å; H156-A160 PolarHBondContact O-N 3.24Å; V157-A160 PolarHBondContact O-N 3.47Å; S158-A160 VanDerWaalsContact C-N 3.28Å; S158-A160 PolarHBondContact O-N 3.26Å; A160-T164 VanDerWaalsContact O-CB 3.25Å; A160-T164 WeakPolarHBondContact O-CB 3.43Å; A160-T164 PolarHBondContact O-N 3.49Å; A160-T164 PolarHBondContact O-OG1 3.12Å; A160-Q172 HydrophobicContact CB-CG 3.86Å
161Y86.6Confident85.5Confident142 Ų14264.1 Ų64.156%0.55734%0.335SS*.Hα-helixtrans-61.2-54.7175.5177.3-102.9000111.6V157 S158 T163 T164 L165V157-Y161 WeakPolarHBondContact O-CB 3.39Å; V157-Y161 PolarHBondContact O-N 3.31Å; S158-Y161 WeakPolarHBondContact O-CB 3.06Å; S158-Y161 PolarHBondContact O-N 3.09Å; S158-Y161 VanDerWaalsContact O-N 3.13Å; Y161-T163 PolarHBondContact O-N 3.39Å; Y161-T164 PolarHBondContact O-N 3.48Å; Y161-T164 VanDerWaalsContact O-N 3.14Å; Y161-L165 HydrophobicContact CD1-CD1 3.91Å; Y161-L165 HydrophobicContact CE1-CD1 3.33Å; Y161-L165 HydrophobicContact CE1-CG 4.25Å; Y161-L165 HydrophobicContact CE2-CD1 4.26Å; Y161-L165 HydrophobicContact CE2-CG 4.41Å; Y161-L165 WeakPolarHBondContact O-CG 3.29Å; Y161-L165 PolarHBondContact O-N 3.01Å
162F87.5Confident84.8Confident114 Ų11462 Ų6250%0.532%0.315SS..Hα-helixtrans-62.7-40.6180-75.2-66.5000112.8S158 T164 L165 L166S158-F162 WeakPolarHBondContact O-CD2 3.43Å; S158-F162 PolarHBondContact O-N 3.48Å; S158-F162 VanDerWaalsContact OG-CE2 3.31Å; S158-F162 WeakPolarHBondContact OG-CE2 3.38Å; F162-T164 VanDerWaalsContact C-N 3.3Å; F162-T164 PolarHBondContact O-N 2.93Å; F162-L165 PolarHBondContact O-N 3.24Å; F162-L166 WeakPolarHBondContact O-CG 3.41Å; F162-L166 PolarHBondContact O-N 2.91Å
163T83.8Confident83.9Confident19 Ų1962.4 Ų62.412%0.11732%0.316CS..Hα-helixtrans-64.3-38.5176.2-58.80000111.4H159 Y161 L166 R167 Q172H159-T163 PolarHBondContact CE1-OG1 3.28Å; H159-T163 VanDerWaalsContact O-CB 3.23Å; H159-T163 WeakPolarHBondContact O-CB 3.23Å; H159-T163 PolarHBondContact O-N 2.9Å; H159-T163 PolarHBondContact O-OG1 3.48Å; Y161-T163 PolarHBondContact O-N 3.39Å; T163-L166 PolarHBondContact O-N 2.92Å; T163-R167 WeakPolarHBondContact O-CB 3.5Å; T163-R167 PolarHBondContact O-N 3.38Å; T163-Q172 HydrophobicContact CG2-CB 4.28Å; T163-Q172 HydrophobicContact CG2-CG 3.98Å
164T80Confident83.1Confident30 Ų3063.6 Ų63.618%0.18432%0.323CS..Hα-helixtrans-68.8-36.9177.5-59.30000111.8A160 Y161 F162 G168 L173A160-T164 VanDerWaalsContact O-CB 3.25Å; A160-T164 WeakPolarHBondContact O-CB 3.43Å; A160-T164 PolarHBondContact O-N 3.49Å; A160-T164 PolarHBondContact O-OG1 3.12Å; Y161-T164 PolarHBondContact O-N 3.48Å; Y161-T164 VanDerWaalsContact O-N 3.14Å; F162-T164 VanDerWaalsContact C-N 3.3Å; F162-T164 PolarHBondContact O-N 2.93Å; T164-G168 CarbonylContact O-C 3.52Å; T164-G168 VanDerWaalsContact O-C 3.29Å; T164-G168 WeakPolarHBondContact O-CA 3.38Å; T164-G168 PolarHBondContact O-N 2.93Å; T164-L173 HydrophobicContact CG2-CD1 4.3Å
165L75.2Confident82.8Confident108 Ų10861.5 Ų61.557%0.56531%0.307SS*.Hα-helixtrans-64.9-44.7174.5-73.8178000112.2Y161 F162Y161-L165 HydrophobicContact CD1-CD1 3.91Å; Y161-L165 HydrophobicContact CE1-CD1 3.33Å; Y161-L165 HydrophobicContact CE1-CG 4.25Å; Y161-L165 HydrophobicContact CE2-CD1 4.26Å; Y161-L165 HydrophobicContact CE2-CG 4.41Å; Y161-L165 WeakPolarHBondContact O-CG 3.29Å; Y161-L165 PolarHBondContact O-N 3.01Å; F162-L165 PolarHBondContact O-N 3.24Å
166L80.4Confident82.4Confident148 Ų14854.9 Ų54.978%0.77528%0.284SS*.Hα-helixtrans-79.9-39.5-174-69.2168.2000113.4F162 T163F162-L166 WeakPolarHBondContact O-CG 3.41Å; F162-L166 PolarHBondContact O-N 2.91Å; T163-L166 PolarHBondContact O-N 2.92Å
167R76.5Confident82Confident199 Ų19954.7 Ų54.775%0.75128%0.283SS*.Hα-helixtrans-107.7-2.4-174.2-60.1-176.3-179157.52.6113.5T163T163-R167 WeakPolarHBondContact O-CB 3.5Å; T163-R167 PolarHBondContact O-N 3.38Å
168G66Low81.9Confident32 Ų3253.9 Ų53.933%0.3328%0.277SS..  trans78.5-178.7-172.300000113.3T164 S170T164-G168 CarbonylContact O-C 3.52Å; T164-G168 VanDerWaalsContact O-C 3.29Å; T164-G168 WeakPolarHBondContact O-CA 3.38Å; T164-G168 PolarHBondContact O-N 2.93Å; G168-S170 PolarHBondContact O-N 3.28Å; G168-S170 VanDerWaalsContact O-N 3.12Å
169A68.8Low81.9Confident27 Ų2751.7 Ų51.722%0.22326%0.26CS..SBendtrans-63.7113.2-179.500000111.3L173 A238 R242A169-L173 HydrophobicContact CB-CD2 4.44Å; A169-A238 HydrophobicContact CB-CB 3.3Å; A169-R242 PolarHBondContact O-NE 2.84Å; A169-R242 PolarHBondContact O-NH2 3.09Å
170S73.4Confident81.9Confident41 Ų4148.4 Ų48.429%0.28725%0.246SC..  trans-130178.9177.660.40000109.8G168 Q172 L173G168-S170 PolarHBondContact O-N 3.28Å; G168-S170 VanDerWaalsContact O-N 3.12Å; S170-Q172 PolarHBondContact O-N 3.48Å; S170-Q172 WeakPolarHBondContact OG-CB 3.23Å; S170-L173 VanDerWaalsContact O-CB 3.27Å; S170-L173 WeakPolarHBondContact O-CB 3.22Å; S170-L173 PolarHBondContact O-N 2.75Å
171V76.8Confident81.9Confident14 Ų1448.9 Ų48.99%0.08525%0.248CC..THydrogen-bonded Turntrans-51.9-24.7174.3-173.90000112.8F96 D99 F104 L173 V174 F175F96-V171 HydrophobicContact CB-CG2 4.4Å; F96-V171 HydrophobicContact CD1-CG2 3.7Å; F96-V171 HydrophobicContact CE1-CG2 4.25Å; F96-V171 HydrophobicContact CG-CG1 4.46Å; F96-V171 HydrophobicContact CG-CG2 4.15Å; D99-V171 HydrophobicContact CB-CG2 3.65Å; D99-V171 WeakPolarHBondContact OD2-CG2 3.31Å; F104-V171 HydrophobicContact CD2-CG1 3.7Å; F104-V171 HydrophobicContact CE2-CG1 3.4Å; V171-L173 PolarHBondContact O-N 2.91Å; V171-V174 WeakPolarHBondContact O-CB 3.5Å; V171-V174 PolarHBondContact O-N 3.49Å; V171-F175 HydrophobicContact CG1-CD2 4.17Å; V171-F175 HydrophobicContact CG1-CE2 3.81Å; V171-F175 PolarHBondContact O-N 2.97Å
172Q81.7Confident82.3Confident16 Ų1642.2 Ų42.28%0.07522%0.222CC..Hα-helixtrans-54.8-32.2173-170.863.827.300113.3H159 A160 T163 S170 V174 F175 G176H159-Q172 PolarHBondContact ND1-NE2 2.92Å; H159-Q172 VanDerWaalsContact ND1-NE2 3.13Å; A160-Q172 HydrophobicContact CB-CG 3.86Å; T163-Q172 HydrophobicContact CG2-CB 4.28Å; T163-Q172 HydrophobicContact CG2-CG 3.98Å; S170-Q172 PolarHBondContact O-N 3.48Å; S170-Q172 WeakPolarHBondContact OG-CB 3.23Å; Q172-V174 VanDerWaalsContact C-N 3.3Å; Q172-V174 PolarHBondContact O-N 2.92Å; Q172-F175 PolarHBondContact O-N 3.21Å; Q172-G176 PolarHBondContact O-N 3.45Å
173L77.7Confident82.5Confident37 Ų3739.5 Ų39.519%0.19421%0.213CC..Hα-helixtrans-62.2-40.2177.1-174.762.8000110.8T164 A169 S170 V171 G176 F177 F231 V235T164-L173 HydrophobicContact CG2-CD1 4.3Å; A169-L173 HydrophobicContact CB-CD2 4.44Å; S170-L173 VanDerWaalsContact O-CB 3.27Å; S170-L173 WeakPolarHBondContact O-CB 3.22Å; S170-L173 PolarHBondContact O-N 2.75Å; V171-L173 PolarHBondContact O-N 2.91Å; L173-G176 PolarHBondContact O-N 3.3Å; L173-F177 PolarHBondContact O-N 3.33Å; L173-F231 HydrophobicContact CD2-CE2 4.48Å; L173-F231 HydrophobicContact CG-CD2 4.33Å; L173-F231 HydrophobicContact CG-CE2 3.86Å; L173-F231 WeakPolarHBondContact O-CE2 3.44Å; L173-V235 HydrophobicContact CD2-CG2 4.2Å
174V80.6Confident82.8Confident25 Ų2538.9 Ų38.915%0.15221%0.209CC..Hα-helixtrans-65.4-47.9179.2-178.80000111.2F96 V171 Q172 G176 F177 E178 F231 F355F96-V174 HydrophobicContact CE2-CG2 4.23Å; F96-V174 HydrophobicContact CZ-CG2 3.8Å; V171-V174 WeakPolarHBondContact O-CB 3.5Å; V171-V174 PolarHBondContact O-N 3.49Å; Q172-V174 VanDerWaalsContact C-N 3.3Å; Q172-V174 PolarHBondContact O-N 2.92Å; V174-G176 PolarHBondContact O-N 3.47Å; V174-F177 PolarHBondContact O-N 2.94Å; V174-E178 PolarHBondContact O-N 3.44Å; V174-E178 VanDerWaalsContact O-N 3.07Å; V174-F231 HydrophobicContact CG2-CZ 4.35Å; V174-F355 HydrophobicContact CG1-CZ 3.79Å
175F88Confident83.4Confident13 Ų1339.1 Ų39.16%0.05721%0.209CC..Hα-helixtrans-62.7-43.4174.8-71.5-70.7000112F104 Q107 F108 L111 V171 Q172 F177 E178 Y179F104-F175 AromaticContact CD2-CE2 3.46Å; F104-F175 HydrophobicContact CD2-CE2 3.46Å; F104-F175 VanDerWaalsContact CD2-CE2 3.46Å; F104-F175 AromaticContact CD2-CZ 3.7Å; F104-F175 HydrophobicContact CD2-CZ 3.7Å; F104-F175 AromaticContact CE2-CE2 3.42Å; F104-F175 HydrophobicContact CE2-CE2 3.42Å; F104-F175 VanDerWaalsContact CE2-CE2 3.42Å; F104-F175 AromaticContact CE2-CZ 3.45Å; F104-F175 HydrophobicContact CE2-CZ 3.45Å; F104-F175 VanDerWaalsContact CE2-CZ 3.45Å; F104-F175 HydrophobicContact CZ-CZ 4.25Å; Q107-F175 HydrophobicContact CB-CD1 4.41Å; Q107-F175 HydrophobicContact CB-CD2 4.37Å; Q107-F175 HydrophobicContact CB-CE1 4.15Å; Q107-F175 HydrophobicContact CB-CE2 4.08Å; Q107-F175 HydrophobicContact CB-CZ 3.97Å; F108-F175 HydrophobicContact CB-CE1 4.24Å; F108-F175 HydrophobicContact CB-CZ 4.33Å; L111-F175 HydrophobicContact CD2-CD1 4.02Å; L111-F175 HydrophobicContact CD2-CE1 4.34Å; V171-F175 HydrophobicContact CG1-CD2 4.17Å; V171-F175 HydrophobicContact CG1-CE2 3.81Å; V171-F175 PolarHBondContact O-N 2.97Å; Q172-F175 PolarHBondContact O-N 3.21Å; F175-F177 PolarHBondContact O-N 3.45Å; F175-E178 PolarHBondContact O-N 3.34Å; F175-E178 VanDerWaalsContact O-N 3.16Å; F175-Y179 WeakPolarHBondContact O-CD2 3.24Å; F175-Y179 PolarHBondContact O-N 2.97Å
176G87.9Confident84.3Confident9 Ų934.1 Ų34.19%0.09318%0.183CC..Hα-helixtrans-58.1-35177.200000112.9Q172 L173 V174 A180Q172-G176 PolarHBondContact O-N 3.45Å; L173-G176 PolarHBondContact O-N 3.3Å; V174-G176 PolarHBondContact O-N 3.47Å; G176-A180 WeakPolarHBondContact O-CB 3.21Å; G176-A180 PolarHBondContact O-N 3.23Å
177F86.7Confident84.9Confident11 Ų1131.4 Ų31.45%0.04817%0.168CC..Hα-helixtrans-70.8-45173.8172.5-99.2000113.2L173 V174 F175 Y179 A180 V181 C228 F231 Q359L173-F177 PolarHBondContact O-N 3.33Å; V174-F177 PolarHBondContact O-N 2.94Å; F175-F177 PolarHBondContact O-N 3.45Å; F177-Y179 VanDerWaalsContact C-N 3.29Å; F177-Y179 PolarHBondContact O-N 2.98Å; F177-A180 WeakPolarHBondContact O-CA 3.05Å; F177-A180 WeakPolarHBondContact O-CB 3.25Å; F177-A180 PolarHBondContact O-N 3.38Å; F177-V181 HydrophobicContact CD1-CG2 4.41Å; F177-V181 HydrophobicContact CE1-CG2 3.85Å; F177-V181 HydrophobicContact CE2-CG2 4.02Å; F177-V181 HydrophobicContact CZ-CG2 3.65Å; F177-V181 WeakPolarHBondContact O-CG2 3.41Å; F177-V181 PolarHBondContact O-N 2.92Å; F177-C228 HydrophobicContact CE2-CB 4.41Å; F177-C228 HydrophobicContact CZ-CB 4.17Å; F177-C228 VanDerWaalsContact CZ-SG 3.53Å; F177-F231 HydrophobicContact CB-CD1 4.13Å; F177-F231 HydrophobicContact CB-CD2 3.32Å; F177-F231 HydrophobicContact CB-CE1 4.06Å; F177-F231 HydrophobicContact CB-CE2 3.21Å; F177-F231 HydrophobicContact CB-CG 3.77Å; F177-F231 HydrophobicContact CB-CZ 3.62Å; F177-F231 AromaticContact CD1-CD1 3.65Å; F177-F231 HydrophobicContact CD1-CD1 3.65Å; F177-F231 HydrophobicContact CD1-CD2 4.42Å; F177-F231 AromaticContact CD1-CE1 3.58Å; F177-F231 HydrophobicContact CD1-CE1 3.58Å; F177-F231 HydrophobicContact CD1-CE2 4.32Å; F177-F231 HydrophobicContact CD1-CG 4.07Å; F177-F231 AromaticContact CD1-CZ 3.93Å; F177-F231 HydrophobicContact CD1-CZ 3.93Å; F177-F231 HydrophobicContact CD2-CB 3.27Å; F177-F231 AromaticContact CD2-CD1 3.58Å; F177-F231 HydrophobicContact CD2-CD1 3.58Å; F177-F231 AromaticContact CD2-CD2 3.66Å; F177-F231 HydrophobicContact CD2-CD2 3.66Å; F177-F231 HydrophobicContact CD2-CE1 4.27Å; F177-F231 HydrophobicContact CD2-CE2 4.31Å; F177-F231 AromaticContact CD2-CG 3.21Å; F177-F231 HydrophobicContact CD2-CG 3.21Å; F177-F231 AromaticContact CE1-CD1 3.91Å; F177-F231 HydrophobicContact CE1-CD1 3.91Å; F177-F231 HydrophobicContact CE1-CE1 4.08Å; F177-F231 HydrophobicContact CE2-CB 3.53Å; F177-F231 AromaticContact CE2-CD1 3.83Å; F177-F231 HydrophobicContact CE2-CD1 3.83Å; F177-F231 AromaticContact CE2-CG 3.76Å; F177-F231 HydrophobicContact CE2-CG 3.76Å; F177-F231 HydrophobicContact CG-CB 4Å; F177-F231 AromaticContact CG-CD1 3.46Å; F177-F231 HydrophobicContact CG-CD1 3.46Å; F177-F231 VanDerWaalsContact CG-CD1 3.46Å; F177-F231 AromaticContact CG-CD2 3.52Å; F177-F231 HydrophobicContact CG-CD2 3.52Å; F177-F231 AromaticContact CG-CE1 3.67Å; F177-F231 HydrophobicContact CG-CE1 3.67Å; F177-F231 AromaticContact CG-CE2 3.7Å; F177-F231 HydrophobicContact CG-CE2 3.7Å; F177-F231 AromaticContact CG-CG 3.37Å; F177-F231 HydrophobicContact CG-CG 3.37Å; F177-F231 AromaticContact CG-CZ 3.78Å; F177-F231 HydrophobicContact CG-CZ 3.78Å; F177-F231 HydrophobicContact CZ-CB 4.42Å; F177-F231 AromaticContact CZ-CD1 3.97Å; F177-F231 HydrophobicContact CZ-CD1 3.97Å; F177-F231 HydrophobicContact CZ-CG 4.37Å; F177-Q359 HydrophobicContact CE1-CG 3.65Å; F177-Q359 HydrophobicContact CZ-CG 4.48Å
178E89.7Confident85.6Confident17 Ų1723.1 Ų23.18%0.07914%0.138CC..Hα-helixtrans-56.1-44.9174.1-76.6-64.5116.700111.6L111 K115 V174 F175 A180 V181 L182 Q359L111-E178 HydrophobicContact CD1-CB 3.86Å; L111-E178 HydrophobicContact CD2-CB 3.67Å; L111-E178 HydrophobicContact CD2-CG 3.8Å; L111-E178 HydrophobicContact CG-CB 4.43Å; K115-E178 IonicContact NZ-OE2 3.43Å; K115-E178 PolarHBondContact NZ-OE2 3.16Å; V174-E178 PolarHBondContact O-N 3.44Å; V174-E178 VanDerWaalsContact O-N 3.07Å; F175-E178 PolarHBondContact O-N 3.34Å; F175-E178 VanDerWaalsContact O-N 3.16Å; E178-A180 VanDerWaalsContact C-N 3.32Å; E178-A180 PolarHBondContact O-N 2.95Å; E178-V181 WeakPolarHBondContact O-CB 3.31Å; E178-V181 PolarHBondContact O-N 3.35Å; E178-L182 WeakPolarHBondContact O-CG 3.22Å; E178-L182 PolarHBondContact O-N 2.83Å; E178-Q359 PolarHBondContact OE1-NE2 3.34Å
179Y92.7Very high86.9Confident5 Ų521.8 Ų21.82%0.0212%0.124CC..Hα-helixtrans-66.3-32.1175.2-75.4-70.9000112.9L111 F114 H156 F175 F177 V181 L182 L183L111-Y179 VanDerWaalsContact CA-OH 3.31Å; L111-Y179 WeakPolarHBondContact CA-OH 3.37Å; L111-Y179 HydrophobicContact CB-CE2 4.38Å; L111-Y179 HydrophobicContact CD1-CD1 4.05Å; L111-Y179 HydrophobicContact CD1-CD2 4.2Å; L111-Y179 HydrophobicContact CD1-CE1 3.81Å; L111-Y179 HydrophobicContact CD1-CE2 3.96Å; L111-Y179 HydrophobicContact CD1-CG 4.23Å; L111-Y179 PolarHBondContact N-OH 3.16Å; F114-Y179 HydrophobicContact CD2-CE1 4.42Å; H156-Y179 HydrophobicContact CB-CD1 3.86Å; H156-Y179 HydrophobicContact CB-CD2 3.44Å; H156-Y179 VanDerWaalsContact CB-CD2 3.44Å; H156-Y179 HydrophobicContact CB-CE1 4.14Å; H156-Y179 HydrophobicContact CB-CE2 3.77Å; H156-Y179 HydrophobicContact CB-CG 3.5Å; H156-Y179 VanDerWaalsContact CB-CG 3.5Å; H156-Y179 AromaticContact CD2-CE1 3.74Å; H156-Y179 AromaticContact CD2-CZ 3.76Å; H156-Y179 AromaticContact CG-CD2 3.95Å; H156-Y179 AromaticContact CG-CE1 3.96Å; H156-Y179 AromaticContact CG-CE2 3.72Å; H156-Y179 AromaticContact CG-CZ 3.72Å; H156-Y179 AromaticContact ND1-CE2 4Å; F175-Y179 WeakPolarHBondContact O-CD2 3.24Å; F175-Y179 PolarHBondContact O-N 2.97Å; F177-Y179 VanDerWaalsContact C-N 3.29Å; F177-Y179 PolarHBondContact O-N 2.98Å; Y179-V181 VanDerWaalsContact C-N 3.31Å; Y179-L182 HydrophobicContact CD1-CD1 4.1Å; Y179-L182 HydrophobicContact CE1-CD1 4.44Å; Y179-L182 PolarHBondContact O-N 2.99Å; Y179-L183 WeakPolarHBondContact O-CB 3.09Å; Y179-L183 PolarHBondContact O-N 3.44Å
180A90.4Very high88.2Confident5 Ų521.6 Ų21.64%0.04112%0.122CC..Hα-helixtrans-68-33.3173.200000112.1V157 G176 F177 E178 T184V157-A180 HydrophobicContact CG2-CB 3.94Å; G176-A180 WeakPolarHBondContact O-CB 3.21Å; G176-A180 PolarHBondContact O-N 3.23Å; F177-A180 WeakPolarHBondContact O-CA 3.05Å; F177-A180 WeakPolarHBondContact O-CB 3.25Å; F177-A180 PolarHBondContact O-N 3.38Å; E178-A180 VanDerWaalsContact C-N 3.32Å; E178-A180 PolarHBondContact O-N 2.95Å; A180-T184 PolarHBondContact O-N 3.15Å
181V90.3Very high89.1Confident14 Ų1422 Ų229%0.08512%0.121CC..Hα-helixtrans-67.9-45.2172172.90000110.5F177 E178 Y179 L183 T184 I185 M224F177-V181 HydrophobicContact CD1-CG2 4.41Å; F177-V181 HydrophobicContact CE1-CG2 3.85Å; F177-V181 HydrophobicContact CE2-CG2 4.02Å; F177-V181 HydrophobicContact CZ-CG2 3.65Å; F177-V181 WeakPolarHBondContact O-CG2 3.41Å; F177-V181 PolarHBondContact O-N 2.92Å; E178-V181 WeakPolarHBondContact O-CB 3.31Å; E178-V181 PolarHBondContact O-N 3.35Å; Y179-V181 VanDerWaalsContact C-N 3.31Å; V181-L183 VanDerWaalsContact C-N 3.29Å; V181-L183 PolarHBondContact O-N 2.8Å; V181-T184 PolarHBondContact O-N 3.43Å; V181-T184 PolarHBondContact O-OG1 3.29Å; V181-I185 HydrophobicContact CG1-CD1 4.1Å; V181-I185 WeakPolarHBondContact O-CG1 3.4Å; V181-I185 PolarHBondContact O-N 3.15Å; V181-M224 HydrophobicContact CG1-CE 3.46Å; V181-M224 VanDerWaalsContact CG1-CE 3.46Å
182L93.3Very high89.8Confident2 Ų222 Ų221%0.0112%0.12CC..Hα-helixtrans-58.4-41.2174.4-67.8178.2000112.1L111 K115 H118 D153 E178 Y179 T184 I185 I186L111-L182 HydrophobicContact CD1-CD1 3.61Å; K115-L182 HydrophobicContact CB-CD1 4.41Å; K115-L182 HydrophobicContact CB-CD2 4.27Å; K115-L182 HydrophobicContact CG-CD2 4.05Å; H118-L182 HydrophobicContact CB-CD2 4.08Å; D153-L182 VanDerWaalsContact OD2-C 3.32Å; E178-L182 WeakPolarHBondContact O-CG 3.22Å; E178-L182 PolarHBondContact O-N 2.83Å; Y179-L182 HydrophobicContact CD1-CD1 4.1Å; Y179-L182 HydrophobicContact CE1-CD1 4.44Å; Y179-L182 PolarHBondContact O-N 2.99Å; L182-T184 VanDerWaalsContact C-N 3.27Å; L182-T184 PolarHBondContact O-N 3.42Å; L182-I185 HydrophobicContact CD2-CD1 4.41Å; L182-I185 WeakPolarHBondContact O-CB 3.06Å; L182-I185 PolarHBondContact O-N 3.28Å; L182-I186 PolarHBondContact O-N 3.34Å
183L93.1Very high90.4Very high57 Ų5721.6 Ų21.630%0.29812%0.117SC..Hα-helixtrans-59.6-36.4175-173.162.3000112.6D153 Y179 V181 I186 L187D153-L183 HydrophobicContact CB-CB 3.99Å; D153-L183 HydrophobicContact CB-CD1 4.08Å; D153-L183 PolarHBondContact OD2-N 3.44Å; Y179-L183 WeakPolarHBondContact O-CB 3.09Å; Y179-L183 PolarHBondContact O-N 3.44Å; V181-L183 VanDerWaalsContact C-N 3.29Å; V181-L183 PolarHBondContact O-N 2.8Å; L183-I186 HydrophobicContact CD1-CG2 4.19Å; L183-I186 WeakPolarHBondContact O-CG2 3.28Å; L183-L187 WeakPolarHBondContact O-CB 3.39Å; L183-L187 PolarHBondContact O-N 3.46Å; L183-L187 VanDerWaalsContact O-N 3.16Å
184T90.5Very high91Very high7 Ų723.4 Ų23.44%0.04313%0.13CC..Hα-helixtrans-71.4-36.5174.656.10000112.7A180 V181 L182 L187 Q188 F223A180-T184 PolarHBondContact O-N 3.15Å; V181-T184 PolarHBondContact O-N 3.43Å; V181-T184 PolarHBondContact O-OG1 3.29Å; L182-T184 VanDerWaalsContact C-N 3.27Å; L182-T184 PolarHBondContact O-N 3.42Å; T184-L187 PolarHBondContact O-N 3.44Å; T184-Q188 PolarHBondContact O-N 3.48Å; T184-F223 HydrophobicContact CG2-CD1 3.53Å; T184-F223 HydrophobicContact CG2-CE1 3.55Å
185I91.7Very high91.5Very high34 Ų3423.4 Ų23.417%0.17413%0.129CC..Hα-helixtrans-65.7-46.4176.2-67.3168.1000109.9V181 L182 L187 Q188 V189V181-I185 HydrophobicContact CG1-CD1 4.1Å; V181-I185 WeakPolarHBondContact O-CG1 3.4Å; V181-I185 PolarHBondContact O-N 3.15Å; L182-I185 HydrophobicContact CD2-CD1 4.41Å; L182-I185 WeakPolarHBondContact O-CB 3.06Å; L182-I185 PolarHBondContact O-N 3.28Å; I185-L187 VanDerWaalsContact C-N 3.28Å; I185-L187 PolarHBondContact O-N 3.05Å; I185-Q188 WeakPolarHBondContact O-CB 3.15Å; I185-Q188 PolarHBondContact O-N 3.35Å; I185-Q188 VanDerWaalsContact O-N 3.11Å; I185-V189 HydrophobicContact CG2-CG2 4.47Å; I185-V189 WeakPolarHBondContact O-CG2 3.21Å; I185-V189 PolarHBondContact O-N 2.71Å
186I94.8Very high91.5Very high3 Ų323.4 Ų23.42%0.01513%0.129CC..Hα-helixtrans-66.9-31.9179.7-159.763.4000112.1A121 I146 L149 L182 L183 V189 A190A121-I186 HydrophobicContact CB-CD1 4.47Å; I146-I186 HydrophobicContact CG1-CD1 4.08Å; I146-I186 HydrophobicContact CG2-CG1 4.24Å; L149-I186 HydrophobicContact CB-CD1 4.12Å; L149-I186 HydrophobicContact CB-CG1 4.09Å; L149-I186 HydrophobicContact CD1-CD1 3.83Å; L182-I186 PolarHBondContact O-N 3.34Å; L183-I186 HydrophobicContact CD1-CG2 4.19Å; L183-I186 WeakPolarHBondContact O-CG2 3.28Å; I186-V189 HydrophobicContact CD1-CB 4.38Å; I186-V189 HydrophobicContact CD1-CG1 4.48Å; I186-V189 PolarHBondContact O-N 3.31Å; I186-A190 WeakPolarHBondContact O-CB 3.49Å; I186-A190 PolarHBondContact O-N 3.48Å
187L92.6Very high91.6Very high91 Ų9127.8 Ų27.848%0.47614%0.143SC..Hα-helixtrans-62.7-43171-178.664.1000111.4L183 T184 I185 A190 I191L183-L187 WeakPolarHBondContact O-CB 3.39Å; L183-L187 PolarHBondContact O-N 3.46Å; L183-L187 VanDerWaalsContact O-N 3.16Å; T184-L187 PolarHBondContact O-N 3.44Å; I185-L187 VanDerWaalsContact C-N 3.28Å; I185-L187 PolarHBondContact O-N 3.05Å; L187-A190 PolarHBondContact O-N 2.95Å; L187-I191 HydrophobicContact CD1-CD1 4.23Å; L187-I191 HydrophobicContact CG-CD1 4.02Å; L187-I191 VanDerWaalsContact O-CG1 3.31Å; L187-I191 WeakPolarHBondContact O-CG1 3.39Å; L187-I191 PolarHBondContact O-N 2.93Å
188Q91.8Very high91.7Very high25 Ų2530.8 Ų30.812%0.11716%0.158CC..Hα-helixtrans-61.3-45.5174.2-174.5-179.7-2.300111.9T184 I185 A190 I191 K192 I220T184-Q188 PolarHBondContact O-N 3.48Å; I185-Q188 WeakPolarHBondContact O-CB 3.15Å; I185-Q188 PolarHBondContact O-N 3.35Å; I185-Q188 VanDerWaalsContact O-N 3.11Å; Q188-A190 VanDerWaalsContact C-N 3.32Å; Q188-A190 PolarHBondContact O-N 3.3Å; Q188-I191 PolarHBondContact O-N 3.36Å; Q188-K192 WeakPolarHBondContact O-CG 3.27Å; Q188-K192 PolarHBondContact O-N 2.96Å; Q188-I220 HydrophobicContact CB-CD1 3.67Å; Q188-I220 HydrophobicContact CB-CG2 4.26Å; Q188-I220 HydrophobicContact CG-CD1 3.95Å
189V93.3Very high91.6Very high4 Ų431.7 Ų31.72%0.02416%0.164CC..Hα-helixtrans-61.4-41.4176.4174.20000110.9A121 E122 V125 I146 I185 I186 K192 F193A121-V189 HydrophobicContact CB-CG1 4.19Å; E122-V189 HydrophobicContact CB-CG2 4.07Å; V125-V189 HydrophobicContact CB-CG1 4.28Å; V125-V189 HydrophobicContact CG2-CG1 3.68Å; I146-V189 HydrophobicContact CD1-CG1 4.48Å; I185-V189 HydrophobicContact CG2-CG2 4.47Å; I185-V189 WeakPolarHBondContact O-CG2 3.21Å; I185-V189 PolarHBondContact O-N 2.71Å; I186-V189 HydrophobicContact CD1-CB 4.38Å; I186-V189 HydrophobicContact CD1-CG1 4.48Å; I186-V189 PolarHBondContact O-N 3.31Å; V189-K192 PolarHBondContact O-N 2.87Å; V189-F193 VanDerWaalsContact O-CB 3.24Å; V189-F193 WeakPolarHBondContact O-CB 3.22Å; V189-F193 PolarHBondContact O-N 3.31Å
190A94.7Very high91.2Very high23 Ų2334.6 Ų34.619%0.1919%0.185CC..Hα-helixtrans-64.2-40.817700000112.6I146 I186 L187 Q188 T194I146-A190 HydrophobicContact CD1-CB 4.39Å; I146-A190 HydrophobicContact CG2-CB 3.84Å; I186-A190 WeakPolarHBondContact O-CB 3.49Å; I186-A190 PolarHBondContact O-N 3.48Å; L187-A190 PolarHBondContact O-N 2.95Å; Q188-A190 VanDerWaalsContact C-N 3.32Å; Q188-A190 PolarHBondContact O-N 3.3Å; A190-T194 WeakPolarHBondContact O-CB 3.44Å; A190-T194 PolarHBondContact O-N 2.84Å; A190-T194 PolarHBondContact O-OG1 2.82Å
191I92.4Very high90.9Very high51 Ų5144 Ų4426%0.26222%0.219SC..Hα-helixtrans-65.8-49.6176.1-70.1162.7000110.3L187 Q188 F193 T194 L195 T216 I220L187-I191 HydrophobicContact CD1-CD1 4.23Å; L187-I191 HydrophobicContact CG-CD1 4.02Å; L187-I191 VanDerWaalsContact O-CG1 3.31Å; L187-I191 WeakPolarHBondContact O-CG1 3.39Å; L187-I191 PolarHBondContact O-N 2.93Å; Q188-I191 PolarHBondContact O-N 3.36Å; I191-F193 VanDerWaalsContact C-N 3.34Å; I191-F193 PolarHBondContact O-N 2.86Å; I191-T194 PolarHBondContact O-N 3.21Å; I191-L195 HydrophobicContact CG2-CD1 3.99Å; I191-L195 HydrophobicContact CG2-CG 4.43Å; I191-L195 WeakPolarHBondContact O-CG 3.16Å; I191-L195 PolarHBondContact O-N 3.2Å; I191-T216 HydrophobicContact CG2-CG2 3.64Å; I191-I220 HydrophobicContact CD1-CD1 3.63Å; I191-I220 HydrophobicContact CD1-CG1 4.48Å
192K92.1Very high90.6Very high13 Ų1348.8 Ų48.86%0.05724%0.24CC..Hα-helixtrans-56.1-47.5175.2-75.1-175.6174.4-174.10111.7V125 D126 Q188 V189 T194 L195 Y196 L213 E217V125-K192 HydrophobicContact CG1-CB 3.68Å; D126-K192 IonicContact OD1-NZ 2.95Å; Q188-K192 WeakPolarHBondContact O-CG 3.27Å; Q188-K192 PolarHBondContact O-N 2.96Å; V189-K192 PolarHBondContact O-N 2.87Å; K192-T194 VanDerWaalsContact C-N 3.32Å; K192-T194 PolarHBondContact O-N 2.87Å; K192-L195 PolarHBondContact O-N 3.42Å; K192-Y196 HydrophobicContact CB-CE2 4.27Å; K192-Y196 WeakPolarHBondContact O-CB 3.31Å; K192-Y196 WeakPolarHBondContact O-CD2 3.15Å; K192-Y196 VanDerWaalsContact O-CG 3.3Å; K192-Y196 PolarHBondContact O-N 3.38Å; K192-L213 HydrophobicContact CG-CD2 4.11Å; K192-E217 WeakPolarHBondContact CE-OE1 3.01Å; K192-E217 IonicContact NZ-OE1 3.24Å; K192-E217 PolarHBondContact NZ-OE1 3.18Å
193F93.3Very high89.9Confident7 Ų753.4 Ų53.43%0.03128%0.279CS..Hα-helixtrans-59.1-43.1177.7176.7-104000112V125 M128 F138 C139 M142 M143 I146 V189 I191 R197V125-F193 HydrophobicContact CG1-CB 4.25Å; V125-F193 HydrophobicContact CG2-CB 4.1Å; V125-F193 HydrophobicContact CG2-CD2 4.3Å; M128-F193 HydrophobicContact CE-CD2 3.63Å; M128-F193 HydrophobicContact CE-CE2 4.14Å; M128-F193 HydrophobicContact SD-CD2 4.19Å; M128-F193 HydrophobicContact SD-CE2 4.12Å; F138-F193 HydrophobicContact CE1-CE2 4.35Å; C139-F193 HydrophobicContact CB-CZ 4.24Å; M142-F193 HydrophobicContact CB-CD2 4.27Å; M142-F193 HydrophobicContact CB-CE2 3.78Å; M142-F193 HydrophobicContact CB-CZ 4.05Å; M142-F193 HydrophobicContact CG-CD2 3.64Å; M142-F193 HydrophobicContact CG-CE2 3.7Å; M142-F193 HydrophobicContact CG-CG 4.18Å; M142-F193 HydrophobicContact CG-CZ 4.26Å; M143-F193 HydrophobicContact CG-CE1 3.66Å; M143-F193 HydrophobicContact CG-CZ 4.18Å; M143-F193 HydrophobicContact SD-CE1 4.45Å; I146-F193 HydrophobicContact CD1-CB 4.29Å; I146-F193 HydrophobicContact CD1-CD1 4.27Å; I146-F193 HydrophobicContact CD1-CG 4.31Å; V189-F193 VanDerWaalsContact O-CB 3.24Å; V189-F193 WeakPolarHBondContact O-CB 3.22Å; V189-F193 PolarHBondContact O-N 3.31Å; I191-F193 VanDerWaalsContact C-N 3.34Å; I191-F193 PolarHBondContact O-N 2.86Å; F193-R197 VanDerWaalsContact O-CB 3.29Å; F193-R197 WeakPolarHBondContact O-CB 3.4Å; F193-R197 PolarHBondContact O-N 3.33Å
194T91.7Very high89.3Confident76 Ų7658.2 Ų58.247%0.46630%0.3SS..Hα-helixtrans-64.4-46.5177.9-56.80000111.3A190 I191 K192 R197 I198A190-T194 WeakPolarHBondContact O-CB 3.44Å; A190-T194 PolarHBondContact O-N 2.84Å; A190-T194 PolarHBondContact O-OG1 2.82Å; I191-T194 PolarHBondContact O-N 3.21Å; K192-T194 VanDerWaalsContact C-N 3.32Å; K192-T194 PolarHBondContact O-N 2.87Å; T194-R197 PolarHBondContact O-N 3.47Å; T194-I198 HydrophobicContact CG2-CD1 4Å; T194-I198 VanDerWaalsContact O-CG1 3.27Å; T194-I198 WeakPolarHBondContact O-CG1 3.12Å; T194-I198 PolarHBondContact O-N 3.43Å
195L90Very high88.7Confident25 Ų2563.4 Ų63.413%0.13133%0.334CS..Hα-helixtrans-61.2-46.3178.1-68.9172.7000111.9I191 K192 R197 I198 D199 W206 L213 T216I191-L195 HydrophobicContact CG2-CD1 3.99Å; I191-L195 HydrophobicContact CG2-CG 4.43Å; I191-L195 WeakPolarHBondContact O-CG 3.16Å; I191-L195 PolarHBondContact O-N 3.2Å; K192-L195 PolarHBondContact O-N 3.42Å; L195-R197 VanDerWaalsContact C-N 3.34Å; L195-R197 PolarHBondContact O-N 3.07Å; L195-I198 PolarHBondContact O-N 3.36Å; L195-D199 WeakPolarHBondContact O-CB 3.44Å; L195-D199 PolarHBondContact O-N 2.98Å; L195-W206 HydrophobicContact CB-CZ3 4.49Å; L195-W206 HydrophobicContact CD2-CH2 3.67Å; L195-W206 HydrophobicContact CD2-CZ3 3.91Å; L195-L213 HydrophobicContact CD1-CD2 3.69Å; L195-L213 HydrophobicContact CD1-CG 4.32Å; L195-T216 HydrophobicContact CD1-CG2 4.45Å
196Y89.3Confident88.3Confident13 Ų1365.4 Ų65.45%0.05134%0.339CS..Hα-helixtrans-67.3-33.8177.6-66.3-28.2000113.1V125 M128 E129 K192 D199 S200 L213V125-Y196 HydrophobicContact CG1-CD2 3.84Å; V125-Y196 HydrophobicContact CG1-CE2 3.9Å; V125-Y196 WeakPolarHBondContact O-CE2 3.35Å; M128-Y196 HydrophobicContact CE-CD2 3.71Å; M128-Y196 HydrophobicContact CE-CG 4Å; E129-Y196 HydrophobicContact CB-CE1 4.18Å; E129-Y196 HydrophobicContact CB-CE2 4.09Å; E129-Y196 HydrophobicContact CG-CE1 4.07Å; E129-Y196 PolarHBondContact OE2-OH 3.32Å; K192-Y196 HydrophobicContact CB-CE2 4.27Å; K192-Y196 WeakPolarHBondContact O-CB 3.31Å; K192-Y196 WeakPolarHBondContact O-CD2 3.15Å; K192-Y196 VanDerWaalsContact O-CG 3.3Å; K192-Y196 PolarHBondContact O-N 3.38Å; Y196-D199 PolarHBondContact O-N 3.05Å; Y196-S200 WeakPolarHBondContact O-CB 3.41Å; Y196-S200 PolarHBondContact O-N 2.85Å; Y196-L213 HydrophobicContact CE1-CD1 3.8Å; Y196-L213 HydrophobicContact CE1-CD2 4.23Å
197R89.6Confident87.5Confident101 Ų10174 Ų7438%0.38138%0.379SS..Hα-helixtrans-65.8-41.9173.3-175.1178.6178.2-165.9-1111.4F193 T194 L195 S200 R201F193-R197 VanDerWaalsContact O-CB 3.29Å; F193-R197 WeakPolarHBondContact O-CB 3.4Å; F193-R197 PolarHBondContact O-N 3.33Å; T194-R197 PolarHBondContact O-N 3.47Å; L195-R197 VanDerWaalsContact C-N 3.34Å; L195-R197 PolarHBondContact O-N 3.07Å; R197-S200 PolarHBondContact O-N 2.94Å; R197-S200 PolarHBondContact O-OG 2.94Å; R197-R201 WeakPolarHBondContact O-CG 3.37Å; R197-R201 PolarHBondContact O-N 3.46Å
198I88.3Confident87.1Confident73 Ų7374 Ų7437%0.37438%0.379SS..Hα-helixtrans-61.9-48.4174.8-68.7167.5000109.5T194 L195 S200 R201 H202T194-I198 HydrophobicContact CG2-CD1 4Å; T194-I198 VanDerWaalsContact O-CG1 3.27Å; T194-I198 WeakPolarHBondContact O-CG1 3.12Å; T194-I198 PolarHBondContact O-N 3.43Å; L195-I198 PolarHBondContact O-N 3.36Å; I198-S200 VanDerWaalsContact C-N 3.34Å; I198-S200 PolarHBondContact O-N 2.93Å; I198-R201 WeakPolarHBondContact O-CB 3.25Å; I198-R201 PolarHBondContact O-N 3.27Å; I198-H202 VanDerWaalsContact CG2-CE1 3.43Å; I198-H202 WeakPolarHBondContact CG2-CE1 3.25Å; I198-H202 PolarHBondContact O-N 3.5Å; I198-H202 PolarHBondContact O-ND1 3.47Å
199D87.6Confident86.7Confident37 Ų3774.3 Ų74.320%0.19838%0.38CS..Hα-helixtrans-55.5-45.8177.1-17050.2000111.9L195 Y196 R201 H202 W206 K209L195-D199 WeakPolarHBondContact O-CB 3.44Å; L195-D199 PolarHBondContact O-N 2.98Å; Y196-D199 PolarHBondContact O-N 3.05Å; D199-R201 PolarHBondContact O-N 3Å; D199-R201 VanDerWaalsContact O-N 3.1Å; D199-H202 PolarHBondContact O-N 3.39Å; D199-H202 VanDerWaalsContact O-N 3.09Å; D199-W206 HydrophobicContact CB-CE3 4.42Å; D199-W206 WeakPolarHBondContact OD1-CB 3.33Å; D199-K209 WeakPolarHBondContact OD2-CD 3.34Å; D199-K209 WeakPolarHBondContact OD2-CE 3.39Å; D199-K209 IonicContact OD2-NZ 3.53Å; D199-K209 PolarHBondContact OD2-NZ 3.21Å
200S84Confident86.2Confident65 Ų6577.5 Ų77.546%0.45541%0.408SS..Hα-helixtrans-63.9-17.9178.373.70000115Y196 R197 I198Y196-S200 WeakPolarHBondContact O-CB 3.41Å; Y196-S200 PolarHBondContact O-N 2.85Å; R197-S200 PolarHBondContact O-N 2.94Å; R197-S200 PolarHBondContact O-OG 2.94Å; I198-S200 VanDerWaalsContact C-N 3.34Å; I198-S200 PolarHBondContact O-N 2.93Å
201R85.3Confident85.8Confident202 Ų20279.6 Ų79.676%0.76242%0.418SS*.Hα-helixtrans-91.8-18.6178.3-71.1-75.1-177.6162.8-0.5112.5R197 I198 D199R197-R201 WeakPolarHBondContact O-CG 3.37Å; R197-R201 PolarHBondContact O-N 3.46Å; I198-R201 WeakPolarHBondContact O-CB 3.25Å; I198-R201 PolarHBondContact O-N 3.27Å; D199-R201 PolarHBondContact O-N 3Å; D199-R201 VanDerWaalsContact O-N 3.1Å
202H83.9Confident85.4Confident115 Ų11582.6 Ų82.653%0.53243%0.427SS..  trans-81.9134.7179.6-74.874.8000110.1I198 D199 H204I198-H202 VanDerWaalsContact CG2-CE1 3.43Å; I198-H202 WeakPolarHBondContact CG2-CE1 3.25Å; I198-H202 PolarHBondContact O-N 3.5Å; I198-H202 PolarHBondContact O-ND1 3.47Å; D199-H202 PolarHBondContact O-N 3.39Å; D199-H202 VanDerWaalsContact O-N 3.09Å; H202-H204 VanDerWaalsContact C-N 3.32Å
203A78.4Confident85.1Confident100 Ų10082.8 Ų82.883%0.82643%0.428SS*.SBendtrans-74-25.2177.500000112.7
204H81.3Confident84.8Confident157 Ų15785.5 Ų85.573%0.72744%0.442SS*.SBendtrans-106.6142179.4-62.5-60.3000110.8H202 W206H202-H204 VanDerWaalsContact C-N 3.32Å; H204-W206 PolarHBondContact O-N 2.89Å
205P77.9Confident84.5Confident117 Ų11788.7 Ų88.776%0.7645%0.447SS*.  trans-57.6129.5177-22.532.4000111.9E207P205-E207 PolarHBondContact O-N 3.15Å; P205-E207 VanDerWaalsContact O-N 3.13Å
206W81.8Confident84.1Confident76 Ų7689.1 Ų89.129%0.28845%0.451SS..  trans-77.498.2177.9-175.914.3000111.5L195 D199 H204 N208 K209 Y212L195-W206 HydrophobicContact CB-CZ3 4.49Å; L195-W206 HydrophobicContact CD2-CH2 3.67Å; L195-W206 HydrophobicContact CD2-CZ3 3.91Å; D199-W206 HydrophobicContact CB-CE3 4.42Å; D199-W206 WeakPolarHBondContact OD1-CB 3.33Å; H204-W206 PolarHBondContact O-N 2.89Å; W206-N208 VanDerWaalsContact C-N 3.29Å; W206-N208 PolarHBondContact O-N 3.37Å; W206-K209 HydrophobicContact CB-CB 4.18Å; W206-K209 HydrophobicContact CD2-CB 3.97Å; W206-K209 HydrophobicContact CE3-CB 4.02Å; W206-K209 HydrophobicContact CE3-CG 4.3Å; W206-K209 HydrophobicContact CG-CB 4.05Å; W206-K209 VanDerWaalsContact O-CB 3.27Å; W206-K209 WeakPolarHBondContact O-CB 3.49Å; W206-K209 PolarHBondContact O-N 3.1Å; W206-K209 VanDerWaalsContact O-N 3.17Å; W206-Y212 AromaticContact CE2-CD2 3.77Å; W206-Y212 AromaticContact CE2-CE2 3.91Å; W206-Y212 HydrophobicContact CH2-CD2 4.04Å; W206-Y212 HydrophobicContact CH2-CG 4.32Å; W206-Y212 AromaticContact CZ2-CD2 3.25Å; W206-Y212 HydrophobicContact CZ2-CD2 3.25Å; W206-Y212 AromaticContact CZ2-CE2 3.49Å; W206-Y212 HydrophobicContact CZ2-CE2 3.49Å; W206-Y212 VanDerWaalsContact CZ2-CE2 3.49Å; W206-Y212 AromaticContact CZ2-CG 3.93Å; W206-Y212 HydrophobicContact CZ2-CG 3.93Å; W206-Y212 AromaticContact NE1-CE2 3.82Å
207E78.8Confident83.9Confident183 Ų18390.2 Ų90.286%0.85546%0.456SS*.THydrogen-bonded Turntrans-56.7-37.4-175.2-63.6-173.3163.400113.9P205P205-E207 PolarHBondContact O-N 3.15Å; P205-E207 VanDerWaalsContact O-N 3.13Å
208N83Confident83.6Confident90 Ų9088.8 Ų88.848%0.48146%0.456SS..THydrogen-bonded Turntrans-91.35.8-176.7-68.7-33.1000114.4W206 A210 V211 Y212W206-N208 VanDerWaalsContact C-N 3.29Å; W206-N208 PolarHBondContact O-N 3.37Å; N208-A210 VanDerWaalsContact C-N 3.32Å; N208-A210 PolarHBondContact O-N 2.89Å; N208-V211 WeakPolarHBondContact O-CB 3.37Å; N208-V211 PolarHBondContact O-N 2.97Å; N208-Y212 HydrophobicContact CB-CD2 4.12Å; N208-Y212 HydrophobicContact CB-CE2 3.79Å; N208-Y212 WeakPolarHBondContact O-CD2 3.26Å; N208-Y212 PolarHBondContact O-N 3.29Å
209K83.5Confident83.4Confident32 Ų3290 Ų9014%0.13947%0.467CS..Hα-helixtrans-50.9-47.1-177.8174.1-177.5173.4177.70113.3D199 W206 V211 Y212 L213D199-K209 WeakPolarHBondContact OD2-CD 3.34Å; D199-K209 WeakPolarHBondContact OD2-CE 3.39Å; D199-K209 IonicContact OD2-NZ 3.53Å; D199-K209 PolarHBondContact OD2-NZ 3.21Å; W206-K209 HydrophobicContact CB-CB 4.18Å; W206-K209 HydrophobicContact CD2-CB 3.97Å; W206-K209 HydrophobicContact CE3-CB 4.02Å; W206-K209 HydrophobicContact CE3-CG 4.3Å; W206-K209 HydrophobicContact CG-CB 4.05Å; W206-K209 VanDerWaalsContact O-CB 3.27Å; W206-K209 WeakPolarHBondContact O-CB 3.49Å; W206-K209 PolarHBondContact O-N 3.1Å; W206-K209 VanDerWaalsContact O-N 3.17Å; K209-V211 PolarHBondContact O-N 2.69Å; K209-Y212 PolarHBondContact O-N 3.48Å; K209-L213 HydrophobicContact CG-CD1 3.87Å; K209-L213 WeakPolarHBondContact O-CG 3.49Å; K209-L213 PolarHBondContact O-N 2.95Å
210A83.3Confident83.2Confident72 Ų7289 Ų8960%0.59546%0.461SS*.Hα-helixtrans-62.8-33.4-178.400000112.5N208 L214N208-A210 VanDerWaalsContact C-N 3.32Å; N208-A210 PolarHBondContact O-N 2.89Å; A210-L214 WeakPolarHBondContact O-CB 3.41Å; A210-L214 PolarHBondContact O-N 3.18Å
211V86.2Confident82.9Confident66 Ų6686.4 Ų86.440%0.444%0.444SS..Hα-helixtrans-69.8-45.7178.6177.10000110.3N208 K209 L213 L214 Y215N208-V211 WeakPolarHBondContact O-CB 3.37Å; N208-V211 PolarHBondContact O-N 2.97Å; K209-V211 PolarHBondContact O-N 2.69Å; V211-L213 PolarHBondContact O-N 2.93Å; V211-L214 PolarHBondContact O-N 3.21Å; V211-Y215 HydrophobicContact CG1-CD2 3.6Å; V211-Y215 HydrophobicContact CG1-CE2 3.22Å; V211-Y215 WeakPolarHBondContact O-CD2 3.42Å; V211-Y215 PolarHBondContact O-N 3.13Å
212Y85.2Confident82.7Confident115 Ų11580.5 Ų80.545%0.45143%0.431SS..Hα-helixtrans-63.9-39.3175.6-72.1-76000112.9W206 N208 K209 Y215 T216W206-Y212 AromaticContact CE2-CD2 3.77Å; W206-Y212 AromaticContact CE2-CE2 3.91Å; W206-Y212 HydrophobicContact CH2-CD2 4.04Å; W206-Y212 HydrophobicContact CH2-CG 4.32Å; W206-Y212 AromaticContact CZ2-CD2 3.25Å; W206-Y212 HydrophobicContact CZ2-CD2 3.25Å; W206-Y212 AromaticContact CZ2-CE2 3.49Å; W206-Y212 HydrophobicContact CZ2-CE2 3.49Å; W206-Y212 VanDerWaalsContact CZ2-CE2 3.49Å; W206-Y212 AromaticContact CZ2-CG 3.93Å; W206-Y212 HydrophobicContact CZ2-CG 3.93Å; W206-Y212 AromaticContact NE1-CE2 3.82Å; N208-Y212 HydrophobicContact CB-CD2 4.12Å; N208-Y212 HydrophobicContact CB-CE2 3.79Å; N208-Y212 WeakPolarHBondContact O-CD2 3.26Å; N208-Y212 PolarHBondContact O-N 3.29Å; K209-Y212 PolarHBondContact O-N 3.48Å; Y212-Y215 PolarHBondContact O-N 2.84Å; Y212-T216 VanDerWaalsContact O-CG2 3.32Å; Y212-T216 WeakPolarHBondContact O-CG2 3.45Å; Y212-T216 PolarHBondContact O-N 3.31Å; Y212-T216 PolarHBondContact O-OG1 2.98Å
213L85.4Confident82.6Confident16 Ų1679.6 Ų79.68%0.08443%0.426CS..Hα-helixtrans-63-43.8174.4-71.7166.6000111.2K192 L195 Y196 K209 V211 Y215 T216 E217K192-L213 HydrophobicContact CG-CD2 4.11Å; L195-L213 HydrophobicContact CD1-CD2 3.69Å; L195-L213 HydrophobicContact CD1-CG 4.32Å; Y196-L213 HydrophobicContact CE1-CD1 3.8Å; Y196-L213 HydrophobicContact CE1-CD2 4.23Å; K209-L213 HydrophobicContact CG-CD1 3.87Å; K209-L213 WeakPolarHBondContact O-CG 3.49Å; K209-L213 PolarHBondContact O-N 2.95Å; V211-L213 PolarHBondContact O-N 2.93Å; L213-Y215 PolarHBondContact O-N 3.36Å; L213-T216 WeakPolarHBondContact CA-OG1 3.41Å; L213-T216 PolarHBondContact O-N 3.49Å; L213-T216 PolarHBondContact O-OG1 2.96Å; L213-E217 WeakPolarHBondContact O-CB 3.17Å; L213-E217 VanDerWaalsContact O-CG 3.3Å; L213-E217 WeakPolarHBondContact O-CG 3.32Å; L213-E217 PolarHBondContact O-N 2.84Å
214L85.5Confident82.7Confident64 Ų6475.6 Ų75.634%0.33539%0.39SS..Hα-helixtrans-62.2-44.6176.4-178.866.5000112.1A210 V211 E217 L218A210-L214 WeakPolarHBondContact O-CB 3.41Å; A210-L214 PolarHBondContact O-N 3.18Å; V211-L214 PolarHBondContact O-N 3.21Å; L214-E217 PolarHBondContact O-N 3.4Å; L214-L218 WeakPolarHBondContact O-CB 3.42Å; L214-L218 PolarHBondContact O-N 3.13Å
215Y86.5Confident82.4Confident144 Ų14470.1 Ų70.157%0.56537%0.366SS*.Hα-helixtrans-63.5-41.3177.6-77.6-56000112.2V211 Y212 L213 L218 V219V211-Y215 HydrophobicContact CG1-CD2 3.6Å; V211-Y215 HydrophobicContact CG1-CE2 3.22Å; V211-Y215 WeakPolarHBondContact O-CD2 3.42Å; V211-Y215 PolarHBondContact O-N 3.13Å; Y212-Y215 PolarHBondContact O-N 2.84Å; L213-Y215 PolarHBondContact O-N 3.36Å; Y215-L218 PolarHBondContact O-N 2.9Å; Y215-V219 WeakPolarHBondContact O-CB 3.44Å; Y215-V219 VanDerWaalsContact O-CG2 3.3Å; Y215-V219 WeakPolarHBondContact O-CG2 3.47Å; Y215-V219 PolarHBondContact O-N 3.31Å
216T82.3Confident82.5Confident34 Ų3470 Ų7021%0.20935%0.354CS..Hα-helixtrans-67.5-40.5177.752.10000111.5I191 L195 Y212 L213 L218 I220I191-T216 HydrophobicContact CG2-CG2 3.64Å; L195-T216 HydrophobicContact CD1-CG2 4.45Å; Y212-T216 VanDerWaalsContact O-CG2 3.32Å; Y212-T216 WeakPolarHBondContact O-CG2 3.45Å; Y212-T216 PolarHBondContact O-N 3.31Å; Y212-T216 PolarHBondContact O-OG1 2.98Å; L213-T216 WeakPolarHBondContact CA-OG1 3.41Å; L213-T216 PolarHBondContact O-N 3.49Å; L213-T216 PolarHBondContact O-OG1 2.96Å; T216-L218 VanDerWaalsContact C-N 3.34Å; T216-L218 PolarHBondContact O-N 2.95Å; T216-I220 WeakPolarHBondContact O-CB 3.44Å; T216-I220 WeakPolarHBondContact O-CD1 3.47Å; T216-I220 WeakPolarHBondContact O-CG1 3.31Å; T216-I220 PolarHBondContact O-N 2.9Å
217E84.5Confident82.3Confident36 Ų3671.2 Ų71.217%0.16836%0.358CS..Hα-helixtrans-59.7-41.4171.7-72.8-176161.600112K192 L213 L214 G221 R373K192-E217 WeakPolarHBondContact CE-OE1 3.01Å; K192-E217 IonicContact NZ-OE1 3.24Å; K192-E217 PolarHBondContact NZ-OE1 3.18Å; L213-E217 WeakPolarHBondContact O-CB 3.17Å; L213-E217 VanDerWaalsContact O-CG 3.3Å; L213-E217 WeakPolarHBondContact O-CG 3.32Å; L213-E217 PolarHBondContact O-N 2.84Å; L214-E217 PolarHBondContact O-N 3.4Å; E217-G221 PolarHBondContact O-N 2.94Å; E217-R373 IonicContact OE2-NH1 2.76Å; E217-R373 PolarHBondContact OE2-NH1 3.06Å
218L82.6Confident82.1Confident71 Ų7163.2 Ų63.237%0.37232%0.322SS..Hα-helixtrans-68.4-46.8178.8178.256.1000112.8L214 Y215 T216 G221 T222 V370L214-L218 WeakPolarHBondContact O-CB 3.42Å; L214-L218 PolarHBondContact O-N 3.13Å; Y215-L218 PolarHBondContact O-N 2.9Å; T216-L218 VanDerWaalsContact C-N 3.34Å; T216-L218 PolarHBondContact O-N 2.95Å; L218-G221 PolarHBondContact O-N 3.02Å; L218-T222 WeakPolarHBondContact O-CB 3.29Å; L218-T222 PolarHBondContact O-N 2.93Å; L218-T222 PolarHBondContact O-OG1 3.24Å; L218-V370 HydrophobicContact CB-CG2 4.48Å; L218-V370 HydrophobicContact CD1-CG1 3.73Å; L218-V370 HydrophobicContact CD1-CG2 4.22Å
219V83.9Confident81.6Confident99 Ų9964.1 Ų64.160%0.632%0.322SS*.Hα-helixtrans-64.3-44.6-178.8170.30000110.4Y215 T222 F223Y215-V219 WeakPolarHBondContact O-CB 3.44Å; Y215-V219 VanDerWaalsContact O-CG2 3.3Å; Y215-V219 WeakPolarHBondContact O-CG2 3.47Å; Y215-V219 PolarHBondContact O-N 3.31Å; V219-T222 PolarHBondContact O-N 3.44Å; V219-F223 PolarHBondContact O-N 2.89Å
220I84.7Confident81.3Confident14 Ų1469.3 Ų69.37%0.07234%0.341CS..Hα-helixtrans-69.9-40.6178.7-61.3169000110.7Q188 I191 T216 T222 F223 M224Q188-I220 HydrophobicContact CB-CD1 3.67Å; Q188-I220 HydrophobicContact CB-CG2 4.26Å; Q188-I220 HydrophobicContact CG-CD1 3.95Å; I191-I220 HydrophobicContact CD1-CD1 3.63Å; I191-I220 HydrophobicContact CD1-CG1 4.48Å; T216-I220 WeakPolarHBondContact O-CB 3.44Å; T216-I220 WeakPolarHBondContact O-CD1 3.47Å; T216-I220 WeakPolarHBondContact O-CG1 3.31Å; T216-I220 PolarHBondContact O-N 2.9Å; I220-T222 VanDerWaalsContact C-N 3.29Å; I220-T222 PolarHBondContact O-N 3.14Å; I220-F223 PolarHBondContact O-N 3.32Å; I220-M224 WeakPolarHBondContact O-CB 3.22Å; I220-M224 PolarHBondContact O-N 2.87Å
221G77.4Confident80.9Confident11 Ų1166.7 Ų66.711%0.11332%0.316CS..Hα-helixtrans-58-42.4173.500000112E217 L218 M224 L225E217-G221 PolarHBondContact O-N 2.94Å; L218-G221 PolarHBondContact O-N 3.02Å; G221-M224 WeakPolarHBondContact O-CB 3.12Å; G221-M224 PolarHBondContact O-N 3.32Å; G221-L225 VanDerWaalsContact O-CG 3.29Å; G221-L225 WeakPolarHBondContact O-CG 3.32Å; G221-L225 PolarHBondContact O-N 3.22Å
222T80.1Confident80Confident78 Ų7864.2 Ų64.248%0.47930%0.303SS..Hα-helixtrans-64.1-43.3175.4-54.40000111.6L218 V219 I220 L225 F226L218-T222 WeakPolarHBondContact O-CB 3.29Å; L218-T222 PolarHBondContact O-N 2.93Å; L218-T222 PolarHBondContact O-OG1 3.24Å; V219-T222 PolarHBondContact O-N 3.44Å; I220-T222 VanDerWaalsContact C-N 3.29Å; I220-T222 PolarHBondContact O-N 3.14Å; T222-L225 PolarHBondContact O-N 3.01Å; T222-F226 PolarHBondContact O-N 3.12Å
223F82.4Confident79.3Confident97 Ų9763.1 Ų63.143%0.42530%0.302SS..Hα-helixtrans-62.6-43175.7-177.7-102.5000112.2T184 V219 I220 L225 F226 R227T184-F223 HydrophobicContact CG2-CD1 3.53Å; T184-F223 HydrophobicContact CG2-CE1 3.55Å; V219-F223 PolarHBondContact O-N 2.89Å; I220-F223 PolarHBondContact O-N 3.32Å; F223-L225 PolarHBondContact O-N 3.45Å; F223-F226 PolarHBondContact O-N 2.87Å; F223-R227 HydrophobicContact CD1-CG 4.32Å; F223-R227 HydrophobicContact CE1-CG 4Å; F223-R227 HydrophobicContact CZ-CG 4.17Å; F223-R227 WeakPolarHBondContact O-CG 3.39Å; F223-R227 PolarHBondContact O-N 2.78Å
224M81.3Confident78.5Confident15 Ų1565 Ų657%0.07432%0.316CS..Hα-helixtrans-58.7-47.2175.4-172.6-171.5-174.400110.7V181 I220 G221 F226 R227 C228 C363V181-M224 HydrophobicContact CG1-CE 3.46Å; V181-M224 VanDerWaalsContact CG1-CE 3.46Å; I220-M224 WeakPolarHBondContact O-CB 3.22Å; I220-M224 PolarHBondContact O-N 2.87Å; G221-M224 WeakPolarHBondContact O-CB 3.12Å; G221-M224 PolarHBondContact O-N 3.32Å; M224-F226 PolarHBondContact O-N 3.19Å; M224-R227 PolarHBondContact O-N 3.44Å; M224-C228 PolarHBondContact O-N 2.95Å; M224-C228 PolarHBondContact O-SG 2.85Å; M224-C363 HydrophobicContact CE-CB 4.22Å; M224-C363 WeakPolarHBondContact CE-SG 3.49Å; M224-C363 HydrophobicContact SD-CB 4.25Å
225L74.5Confident77.5Confident43 Ų4363.2 Ų63.223%0.22531%0.308CS..Hα-helixtrans-60.2-44.3176.4-70.6168.9000112.4G221 T222 F223 R227 C228 F229 C363 L367G221-L225 VanDerWaalsContact O-CG 3.29Å; G221-L225 WeakPolarHBondContact O-CG 3.32Å; G221-L225 PolarHBondContact O-N 3.22Å; T222-L225 PolarHBondContact O-N 3.01Å; F223-L225 PolarHBondContact O-N 3.45Å; L225-R227 VanDerWaalsContact C-N 3.33Å; L225-R227 PolarHBondContact O-N 3.38Å; L225-C228 WeakPolarHBondContact O-CB 3.13Å; L225-C228 PolarHBondContact O-N 3Å; L225-F229 WeakPolarHBondContact O-CB 3.34Å; L225-F229 PolarHBondContact O-N 2.72Å; L225-C363 HydrophobicContact CD2-CB 4.09Å; L225-L367 HydrophobicContact CD1-CD1 3.59Å; L225-L367 HydrophobicContact CD1-CD2 3.77Å; L225-L367 HydrophobicContact CD1-CG 3.71Å; L225-L367 HydrophobicContact CD2-CD1 3.57Å; L225-L367 HydrophobicContact CD2-CG 4.42Å; L225-L367 HydrophobicContact CG-CD1 4.16Å
226F80.1Confident76.5Confident114 Ų11459.1 Ų59.150%0.530%0.298SS..Hα-helixtrans-60.4-44.2177-178.1-102.9000111.4T222 F223 M224 C228 F229 R230T222-F226 PolarHBondContact O-N 3.12Å; F223-F226 PolarHBondContact O-N 2.87Å; M224-F226 PolarHBondContact O-N 3.19Å; F226-C228 PolarHBondContact O-N 3.05Å; F226-F229 PolarHBondContact O-N 3Å; F226-R230 HydrophobicContact CD1-CG 4.34Å; F226-R230 HydrophobicContact CE1-CG 4.01Å; F226-R230 HydrophobicContact CE2-CG 4.35Å; F226-R230 HydrophobicContact CZ-CG 4.03Å; F226-R230 WeakPolarHBondContact O-CG 3.36Å; F226-R230 PolarHBondContact O-N 3.06Å
227R77.6Confident75.7Confident101 Ų10161.7 Ų61.738%0.38131%0.31SS..Hα-helixtrans-61.5-42.8174.5-68.1-157.775.687.6-0.5112.2F223 M224 L225 R230 F231F223-R227 HydrophobicContact CD1-CG 4.32Å; F223-R227 HydrophobicContact CE1-CG 4Å; F223-R227 HydrophobicContact CZ-CG 4.17Å; F223-R227 WeakPolarHBondContact O-CG 3.39Å; F223-R227 PolarHBondContact O-N 2.78Å; M224-R227 PolarHBondContact O-N 3.44Å; L225-R227 VanDerWaalsContact C-N 3.33Å; L225-R227 PolarHBondContact O-N 3.38Å; R227-R230 PolarHBondContact O-N 3.15Å; R227-F231 VanDerWaalsContact O-CB 3.31Å; R227-F231 WeakPolarHBondContact O-CB 3.36Å; R227-F231 PolarHBondContact O-N 3.42Å
228C73.4Confident74.8Confident15 Ų1560.6 Ų60.610%0.10131%0.307CS..Hα-helixtrans-59.7-45.9176-65.50000111.6F177 M224 L225 F226 F231 A232 C363F177-C228 HydrophobicContact CE2-CB 4.41Å; F177-C228 HydrophobicContact CZ-CB 4.17Å; F177-C228 VanDerWaalsContact CZ-SG 3.53Å; M224-C228 PolarHBondContact O-N 2.95Å; M224-C228 PolarHBondContact O-SG 2.85Å; L225-C228 WeakPolarHBondContact O-CB 3.13Å; L225-C228 PolarHBondContact O-N 3Å; F226-C228 PolarHBondContact O-N 3.05Å; C228-F231 PolarHBondContact O-N 3.1Å; C228-A232 WeakPolarHBondContact O-CB 3.5Å; C228-A232 PolarHBondContact O-N 3.49Å; C228-C363 PolarHBondContact SG-SG 3.43Å
229F73.3Confident74Confident109 Ų10960 Ų6048%0.47830%0.304SS..Hα-helixtrans-62.5-48.2178.3-177.2-96.2000111.8L225 F226 F231 A232 Q233L225-F229 WeakPolarHBondContact O-CB 3.34Å; L225-F229 PolarHBondContact O-N 2.72Å; F226-F229 PolarHBondContact O-N 3Å; F229-F231 VanDerWaalsContact C-N 3.31Å; F229-F231 PolarHBondContact O-N 3.11Å; F229-A232 WeakPolarHBondContact O-CB 3.24Å; F229-A232 PolarHBondContact O-N 3Å; F229-Q233 PolarHBondContact O-N 3.04Å
230R77.2Confident73.1Confident141 Ų14160 Ų6053%0.53230%0.3SS..Hα-helixtrans-62.3-38.2177.3-69.1-149.974.5117.84.6112.8F226 R227 S234F226-R230 HydrophobicContact CD1-CG 4.34Å; F226-R230 HydrophobicContact CE1-CG 4.01Å; F226-R230 HydrophobicContact CE2-CG 4.35Å; F226-R230 HydrophobicContact CZ-CG 4.03Å; F226-R230 WeakPolarHBondContact O-CG 3.36Å; F226-R230 PolarHBondContact O-N 3.06Å; R227-R230 PolarHBondContact O-N 3.15Å; R230-S234 WeakPolarHBondContact O-CB 3.42Å; R230-S234 PolarHBondContact O-N 3.13Å; R230-S234 PolarHBondContact O-OG 3.42Å
231F74.8Confident72.1Confident17 Ų1761 Ų618%0.07531%0.308CS..Hα-helixtrans-66.4-44.9174.4171.8-104.5000111.8L173 V174 F177 R227 C228 F229 Q233 S234 V235 F355L173-F231 HydrophobicContact CD2-CE2 4.48Å; L173-F231 HydrophobicContact CG-CD2 4.33Å; L173-F231 HydrophobicContact CG-CE2 3.86Å; L173-F231 WeakPolarHBondContact O-CE2 3.44Å; V174-F231 HydrophobicContact CG2-CZ 4.35Å; F177-F231 HydrophobicContact CB-CD1 4.13Å; F177-F231 HydrophobicContact CB-CD2 3.32Å; F177-F231 HydrophobicContact CB-CE1 4.06Å; F177-F231 HydrophobicContact CB-CE2 3.21Å; F177-F231 HydrophobicContact CB-CG 3.77Å; F177-F231 HydrophobicContact CB-CZ 3.62Å; F177-F231 AromaticContact CD1-CD1 3.65Å; F177-F231 HydrophobicContact CD1-CD1 3.65Å; F177-F231 HydrophobicContact CD1-CD2 4.42Å; F177-F231 AromaticContact CD1-CE1 3.58Å; F177-F231 HydrophobicContact CD1-CE1 3.58Å; F177-F231 HydrophobicContact CD1-CE2 4.32Å; F177-F231 HydrophobicContact CD1-CG 4.07Å; F177-F231 AromaticContact CD1-CZ 3.93Å; F177-F231 HydrophobicContact CD1-CZ 3.93Å; F177-F231 HydrophobicContact CD2-CB 3.27Å; F177-F231 AromaticContact CD2-CD1 3.58Å; F177-F231 HydrophobicContact CD2-CD1 3.58Å; F177-F231 AromaticContact CD2-CD2 3.66Å; F177-F231 HydrophobicContact CD2-CD2 3.66Å; F177-F231 HydrophobicContact CD2-CE1 4.27Å; F177-F231 HydrophobicContact CD2-CE2 4.31Å; F177-F231 AromaticContact CD2-CG 3.21Å; F177-F231 HydrophobicContact CD2-CG 3.21Å; F177-F231 AromaticContact CE1-CD1 3.91Å; F177-F231 HydrophobicContact CE1-CD1 3.91Å; F177-F231 HydrophobicContact CE1-CE1 4.08Å; F177-F231 HydrophobicContact CE2-CB 3.53Å; F177-F231 AromaticContact CE2-CD1 3.83Å; F177-F231 HydrophobicContact CE2-CD1 3.83Å; F177-F231 AromaticContact CE2-CG 3.76Å; F177-F231 HydrophobicContact CE2-CG 3.76Å; F177-F231 HydrophobicContact CG-CB 4Å; F177-F231 AromaticContact CG-CD1 3.46Å; F177-F231 HydrophobicContact CG-CD1 3.46Å; F177-F231 VanDerWaalsContact CG-CD1 3.46Å; F177-F231 AromaticContact CG-CD2 3.52Å; F177-F231 HydrophobicContact CG-CD2 3.52Å; F177-F231 AromaticContact CG-CE1 3.67Å; F177-F231 HydrophobicContact CG-CE1 3.67Å; F177-F231 AromaticContact CG-CE2 3.7Å; F177-F231 HydrophobicContact CG-CE2 3.7Å; F177-F231 AromaticContact CG-CG 3.37Å; F177-F231 HydrophobicContact CG-CG 3.37Å; F177-F231 AromaticContact CG-CZ 3.78Å; F177-F231 HydrophobicContact CG-CZ 3.78Å; F177-F231 HydrophobicContact CZ-CB 4.42Å; F177-F231 AromaticContact CZ-CD1 3.97Å; F177-F231 HydrophobicContact CZ-CD1 3.97Å; F177-F231 HydrophobicContact CZ-CG 4.37Å; R227-F231 VanDerWaalsContact O-CB 3.31Å; R227-F231 WeakPolarHBondContact O-CB 3.36Å; R227-F231 PolarHBondContact O-N 3.42Å; C228-F231 PolarHBondContact O-N 3.1Å; F229-F231 VanDerWaalsContact C-N 3.31Å; F229-F231 PolarHBondContact O-N 3.11Å; F231-Q233 VanDerWaalsContact C-N 3.29Å; F231-Q233 PolarHBondContact O-N 3.33Å; F231-S234 WeakPolarHBondContact O-CB 3.43Å; F231-S234 PolarHBondContact O-N 3.35Å; F231-S234 VanDerWaalsContact O-N 3.09Å; F231-V235 HydrophobicContact CD1-CG2 4.24Å; F231-V235 HydrophobicContact CD2-CG2 4.11Å; F231-V235 HydrophobicContact CE1-CG2 3.8Å; F231-V235 HydrophobicContact CE2-CG2 3.68Å; F231-V235 HydrophobicContact CG-CG2 4.4Å; F231-V235 HydrophobicContact CZ-CG2 3.5Å; F231-V235 WeakPolarHBondContact O-CG2 3.44Å; F231-V235 PolarHBondContact O-N 2.71Å; F231-F355 HydrophobicContact CE1-CE1 4.12Å
232A66.6Low71.6Confident14 Ų1467.1 Ų67.112%0.11633%0.328CS..Hα-helixtrans-54-48.217500000111.1C228 F229 S234 V235 V236 L356C228-A232 WeakPolarHBondContact O-CB 3.5Å; C228-A232 PolarHBondContact O-N 3.49Å; F229-A232 WeakPolarHBondContact O-CB 3.24Å; F229-A232 PolarHBondContact O-N 3Å; A232-S234 PolarHBondContact O-N 3.31Å; A232-V235 PolarHBondContact O-N 2.93Å; A232-V236 VanDerWaalsContact O-CG2 3.32Å; A232-V236 WeakPolarHBondContact O-CG2 3.48Å; A232-V236 PolarHBondContact O-N 2.92Å; A232-L356 HydrophobicContact CB-CD1 3.45Å; A232-L356 VanDerWaalsContact CB-CD1 3.45Å; A232-L356 HydrophobicContact CB-CD2 4.19Å; A232-L356 HydrophobicContact CB-CG 4.38Å
233Q70.4Confident71Confident92 Ų9268.5 Ų68.543%0.4332%0.324SS..Hα-helixtrans-59.8-46.7175.8-173.4176.9-3.600111.4F229 F231 V235 V236 D237F229-Q233 PolarHBondContact O-N 3.04Å; F231-Q233 VanDerWaalsContact C-N 3.29Å; F231-Q233 PolarHBondContact O-N 3.33Å; Q233-V235 VanDerWaalsContact C-N 3.31Å; Q233-V235 PolarHBondContact O-N 3.09Å; Q233-V236 PolarHBondContact O-N 3.45Å; Q233-D237 WeakPolarHBondContact O-CB 3.41Å; Q233-D237 PolarHBondContact O-N 2.95Å
234S70.1Confident70.2Confident55 Ų5564.4 Ų64.439%0.38531%0.308SS..Hα-helixtrans-60.9-38.6178.1-56.10000112.7R230 F231 A232 A238R230-S234 WeakPolarHBondContact O-CB 3.42Å; R230-S234 PolarHBondContact O-N 3.13Å; R230-S234 PolarHBondContact O-OG 3.42Å; F231-S234 WeakPolarHBondContact O-CB 3.43Å; F231-S234 PolarHBondContact O-N 3.35Å; F231-S234 VanDerWaalsContact O-N 3.09Å; A232-S234 PolarHBondContact O-N 3.31Å; S234-A238 VanDerWaalsContact O-CB 3.27Å; S234-A238 WeakPolarHBondContact O-CB 3.5Å; S234-A238 PolarHBondContact O-N 3.33Å
235V64.7Low69.5Low27 Ų2764.5 Ų64.516%0.16431%0.309CS..Hα-helixtrans-68.5-43175.9170.80000110.8L173 F231 A232 Q233 D237 A238 I239L173-V235 HydrophobicContact CD2-CG2 4.2Å; F231-V235 HydrophobicContact CD1-CG2 4.24Å; F231-V235 HydrophobicContact CD2-CG2 4.11Å; F231-V235 HydrophobicContact CE1-CG2 3.8Å; F231-V235 HydrophobicContact CE2-CG2 3.68Å; F231-V235 HydrophobicContact CG-CG2 4.4Å; F231-V235 HydrophobicContact CZ-CG2 3.5Å; F231-V235 WeakPolarHBondContact O-CG2 3.44Å; F231-V235 PolarHBondContact O-N 2.71Å; A232-V235 PolarHBondContact O-N 2.93Å; Q233-V235 VanDerWaalsContact C-N 3.31Å; Q233-V235 PolarHBondContact O-N 3.09Å; V235-D237 VanDerWaalsContact C-N 3.35Å; V235-A238 WeakPolarHBondContact O-CB 3.45Å; V235-A238 PolarHBondContact O-N 3.15Å; V235-I239 HydrophobicContact CG1-CD1 3.69Å; V235-I239 HydrophobicContact CG1-CG1 4.34Å; V235-I239 WeakPolarHBondContact O-CB 3.31Å; V235-I239 VanDerWaalsContact O-CG1 3.24Å; V235-I239 WeakPolarHBondContact O-CG1 3.44Å; V235-I239 PolarHBondContact O-N 3.29Å
236V64.8Low69.3Low58 Ų5867.3 Ų67.335%0.35232%0.324SS..Hα-helixtrans-60-46.8175.2170.10000110.4A232 Q233 A238 I239 L240A232-V236 VanDerWaalsContact O-CG2 3.32Å; A232-V236 WeakPolarHBondContact O-CG2 3.48Å; A232-V236 PolarHBondContact O-N 2.92Å; Q233-V236 PolarHBondContact O-N 3.45Å; V236-A238 VanDerWaalsContact C-N 3.33Å; V236-A238 PolarHBondContact O-N 3.06Å; V236-I239 PolarHBondContact O-N 2.63Å; V236-L240 HydrophobicContact CG1-CD1 3.77Å; V236-L240 HydrophobicContact CG1-CG 4.26Å; V236-L240 WeakPolarHBondContact O-CB 3.49Å; V236-L240 VanDerWaalsContact O-CG 3.28Å; V236-L240 WeakPolarHBondContact O-CG 3.41Å; V236-L240 PolarHBondContact O-N 3.34Å
237D65.1Low68.9Low88 Ų8864.2 Ų64.247%0.47131%0.313SS..Hα-helixtrans-62.3-40.4177.8-65.7-21000111.6Q233 V235 S241Q233-D237 WeakPolarHBondContact O-CB 3.41Å; Q233-D237 PolarHBondContact O-N 2.95Å; V235-D237 VanDerWaalsContact C-N 3.35Å; D237-S241 WeakPolarHBondContact O-CB 3.43Å; D237-S241 PolarHBondContact O-N 3.36Å; D237-S241 PolarHBondContact O-OG 2.96Å
238A65.5Low68.6Low13 Ų1359.5 Ų59.511%0.10730%0.295CS..Hα-helixtrans-63.7-42.3173.900000113A169 S234 V235 V236 S241 R242A169-A238 HydrophobicContact CB-CB 3.3Å; S234-A238 VanDerWaalsContact O-CB 3.27Å; S234-A238 WeakPolarHBondContact O-CB 3.5Å; S234-A238 PolarHBondContact O-N 3.33Å; V235-A238 WeakPolarHBondContact O-CB 3.45Å; V235-A238 PolarHBondContact O-N 3.15Å; V236-A238 VanDerWaalsContact C-N 3.33Å; V236-A238 PolarHBondContact O-N 3.06Å; A238-S241 WeakPolarHBondContact CA-OG 3.23Å; A238-S241 PolarHBondContact O-OG 3.5Å; A238-R242 WeakPolarHBondContact O-CB 3.43Å; A238-R242 VanDerWaalsContact O-CG 3.31Å; A238-R242 WeakPolarHBondContact O-CG 3.5Å; A238-R242 PolarHBondContact O-N 3.22Å
239I65.6Low68.6Low59 Ų5962.6 Ų62.630%0.30331%0.311SS..Hα-helixtrans-68.5-44.2177.9-69.3166.8000110.3V235 V236 R242 R243V235-I239 HydrophobicContact CG1-CD1 3.69Å; V235-I239 HydrophobicContact CG1-CG1 4.34Å; V235-I239 WeakPolarHBondContact O-CB 3.31Å; V235-I239 VanDerWaalsContact O-CG1 3.24Å; V235-I239 WeakPolarHBondContact O-CG1 3.44Å; V235-I239 PolarHBondContact O-N 3.29Å; V236-I239 PolarHBondContact O-N 2.63Å; I239-R242 PolarHBondContact O-N 3.3Å; I239-R243 HydrophobicContact CG2-CG 4.43Å; I239-R243 WeakPolarHBondContact O-CB 3.46Å; I239-R243 WeakPolarHBondContact O-CG 3.49Å; I239-R243 PolarHBondContact O-N 2.85Å
240L66.2Low68.6Low99 Ų9962.1 Ų62.152%0.51832%0.317SS..Hα-helixtrans-63.2-44.5178.8-73.2174.5000111.2V236 R243 A244V236-L240 HydrophobicContact CG1-CD1 3.77Å; V236-L240 HydrophobicContact CG1-CG 4.26Å; V236-L240 WeakPolarHBondContact O-CB 3.49Å; V236-L240 VanDerWaalsContact O-CG 3.28Å; V236-L240 WeakPolarHBondContact O-CG 3.41Å; V236-L240 PolarHBondContact O-N 3.34Å; L240-R243 PolarHBondContact O-N 3.45Å; L240-A244 WeakPolarHBondContact O-CB 3.25Å; L240-A244 PolarHBondContact O-N 3.02Å
241S63.4Low68.3Low34 Ų3458.6 Ų58.624%0.23831%0.307CS..Hα-helixtrans-61.6-47.717560.90000111.5D237 A238 R243 A244 I245D237-S241 WeakPolarHBondContact O-CB 3.43Å; D237-S241 PolarHBondContact O-N 3.36Å; D237-S241 PolarHBondContact O-OG 2.96Å; A238-S241 WeakPolarHBondContact CA-OG 3.23Å; A238-S241 PolarHBondContact O-OG 3.5Å; S241-R243 VanDerWaalsContact C-N 3.34Å; S241-R243 PolarHBondContact O-N 3.08Å; S241-A244 WeakPolarHBondContact O-CB 3.42Å; S241-A244 PolarHBondContact O-N 3.39Å; S241-I245 WeakPolarHBondContact O-CD1 3.31Å; S241-I245 WeakPolarHBondContact O-CG1 3.36Å; S241-I245 PolarHBondContact O-N 3.41Å
242R66.9Low68.3Low140 Ų14058 Ų5853%0.52830%0.304SS..Hα-helixtrans-59-41.4175.9-78.5176.5172.3-97.91.1112.7A169 A238 I239 I245 N246A169-R242 PolarHBondContact O-NE 2.84Å; A169-R242 PolarHBondContact O-NH2 3.09Å; A238-R242 WeakPolarHBondContact O-CB 3.43Å; A238-R242 VanDerWaalsContact O-CG 3.31Å; A238-R242 WeakPolarHBondContact O-CG 3.5Å; A238-R242 PolarHBondContact O-N 3.22Å; I239-R242 PolarHBondContact O-N 3.3Å; R242-I245 WeakPolarHBondContact O-CB 3.29Å; R242-I245 PolarHBondContact O-N 3.39Å; R242-N246 WeakPolarHBondContact O-CB 3.35Å; R242-N246 PolarHBondContact O-N 3.31Å
243R66.8Low68.9Low107 Ų10761.5 Ų61.540%0.40433%0.326SS..Hα-helixtrans-66.4-42.4175.1-74.7-178.4-170168.410.9111.6I239 L240 S241 I245 N246 N247I239-R243 HydrophobicContact CG2-CG 4.43Å; I239-R243 WeakPolarHBondContact O-CB 3.46Å; I239-R243 WeakPolarHBondContact O-CG 3.49Å; I239-R243 PolarHBondContact O-N 2.85Å; L240-R243 PolarHBondContact O-N 3.45Å; S241-R243 VanDerWaalsContact C-N 3.34Å; S241-R243 PolarHBondContact O-N 3.08Å; R243-I245 PolarHBondContact O-N 3.11Å; R243-N246 PolarHBondContact O-N 2.94Å; R243-N247 WeakPolarHBondContact O-CB 3.45Å; R243-N247 PolarHBondContact O-N 2.91Å
244A64.9Low69.4Low11 Ų1162.1 Ų62.19%0.09133%0.333CS..Hα-helixtrans-58.2-41.3175.900000111.1L240 S241 M248L240-A244 WeakPolarHBondContact O-CB 3.25Å; L240-A244 PolarHBondContact O-N 3.02Å; S241-A244 WeakPolarHBondContact O-CB 3.42Å; S241-A244 PolarHBondContact O-N 3.39Å; A244-M248 VanDerWaalsContact O-CB 3.31Å; A244-M248 WeakPolarHBondContact O-CB 3.42Å; A244-M248 PolarHBondContact O-N 3.37Å
245I67.8Low69.7Low18 Ų1860.1 Ų60.19%0.09232%0.319CS..Hα-helixtrans-65.1-51.6174.9-64.9153.7000111.7S241 R242 R243 N247 M248 N249 R293S241-I245 WeakPolarHBondContact O-CD1 3.31Å; S241-I245 WeakPolarHBondContact O-CG1 3.36Å; S241-I245 PolarHBondContact O-N 3.41Å; R242-I245 WeakPolarHBondContact O-CB 3.29Å; R242-I245 PolarHBondContact O-N 3.39Å; R243-I245 PolarHBondContact O-N 3.11Å; I245-N247 VanDerWaalsContact C-N 3.31Å; I245-N247 PolarHBondContact O-N 3.03Å; I245-M248 WeakPolarHBondContact O-CB 3.2Å; I245-M248 PolarHBondContact O-N 3.26Å; I245-M248 VanDerWaalsContact O-N 3.13Å; I245-N249 PolarHBondContact O-N 2.97Å; I245-R293 HydrophobicContact CG1-CG 3.74Å; I245-R293 VanDerWaalsContact CG1-CZ 3.47Å; I245-R293 VanDerWaalsContact CG2-CZ 3.49Å; I245-R293 VanDerWaalsContact CG2-NE 3.35Å; I245-R293 VanDerWaalsContact CG2-NH2 3.26Å
246N71Confident70.3Confident102 Ų10262.5 Ų62.555%0.54533%0.334SS..Hα-helixtrans-64.5-41-176.9-171.136.4000111.2R242 R243 M248 N249 T250R242-N246 WeakPolarHBondContact O-CB 3.35Å; R242-N246 PolarHBondContact O-N 3.31Å; R243-N246 PolarHBondContact O-N 2.94Å; N246-M248 VanDerWaalsContact C-N 3.3Å; N246-M248 PolarHBondContact O-N 3.17Å; N246-N249 PolarHBondContact O-N 3.44Å; N246-T250 WeakPolarHBondContact O-CB 3.4Å; N246-T250 WeakPolarHBondContact O-CG2 3.36Å; N246-T250 PolarHBondContact O-N 3.16Å; N246-T250 PolarHBondContact O-OG1 2.99Å
247N70Confident70.8Confident49 Ų4962.8 Ų62.826%0.26234%0.342SS..Hα-helixtrans-62.3-38.1173.9-171.161.6000111.4R243 I245 T250 M251 L310R243-N247 WeakPolarHBondContact O-CB 3.45Å; R243-N247 PolarHBondContact O-N 2.91Å; I245-N247 VanDerWaalsContact C-N 3.31Å; I245-N247 PolarHBondContact O-N 3.03Å; N247-T250 PolarHBondContact O-OG1 3.24Å; N247-M251 VanDerWaalsContact CG-CE 3.43Å; N247-M251 WeakPolarHBondContact ND2-CE 3.19Å; N247-M251 WeakPolarHBondContact O-CB 3.46Å; N247-M251 VanDerWaalsContact O-CG 3.29Å; N247-M251 WeakPolarHBondContact O-CG 3.47Å; N247-M251 PolarHBondContact O-N 2.82Å; N247-M251 WeakPolarHBondContact OD1-CE 3.08Å; N247-M251 VanDerWaalsContact OD1-CG 3.3Å; N247-M251 WeakPolarHBondContact OD1-CG 3.25Å; N247-M251 PolarHBondContact OD1-SD 2.9Å; N247-M251 VanDerWaalsContact OD1-SD 3.38Å; N247-L310 WeakPolarHBondContact ND2-CD2 3.49Å
248M72.8Confident71.4Confident1 Ų162.6 Ų62.61%0.00534%0.339CS..Hα-helixtrans-63.7-43.6173-176.1-165.573.900112.1A244 I245 N246 Y252 K279 T289 L292 R293 F296A244-M248 VanDerWaalsContact O-CB 3.31Å; A244-M248 WeakPolarHBondContact O-CB 3.42Å; A244-M248 PolarHBondContact O-N 3.37Å; I245-M248 WeakPolarHBondContact O-CB 3.2Å; I245-M248 PolarHBondContact O-N 3.26Å; I245-M248 VanDerWaalsContact O-N 3.13Å; N246-M248 VanDerWaalsContact C-N 3.3Å; N246-M248 PolarHBondContact O-N 3.17Å; M248-Y252 HydrophobicContact CB-CD2 4.38Å; M248-Y252 HydrophobicContact CG-CD2 4.07Å; M248-Y252 WeakPolarHBondContact O-CD2 3.4Å; M248-Y252 PolarHBondContact O-N 2.76Å; M248-K279 HydrophobicContact CE-CD 4.31Å; M248-K279 HydrophobicContact CG-CD 4.03Å; M248-T289 HydrophobicContact CE-CG2 3.71Å; M248-L292 HydrophobicContact CG-CD2 3.98Å; M248-L292 HydrophobicContact CG-CG 4.4Å; M248-L292 HydrophobicContact SD-CB 4.04Å; M248-L292 HydrophobicContact SD-CD2 3.91Å; M248-L292 HydrophobicContact SD-CG 3.83Å; M248-R293 HydrophobicContact CE-CB 3.94Å; M248-R293 HydrophobicContact CE-CG 4.17Å; M248-R293 HydrophobicContact SD-CB 4.09Å; M248-F296 HydrophobicContact CB-CD2 4.19Å; M248-F296 HydrophobicContact CG-CD2 4.06Å; M248-F296 HydrophobicContact CG-CE2 4.19Å; M248-F296 HydrophobicContact SD-CD2 4.32Å
249N72.7Confident71.7Confident80 Ų8064.6 Ų64.643%0.42835%0.346SS..Hα-helixtrans-68.9-33.7-179.2-71.9-10.5000113.3I245 N246I245-N249 PolarHBondContact O-N 2.97Å; N246-N249 PolarHBondContact O-N 3.44Å
250T74.3Confident72.1Confident100 Ų10063.2 Ų63.261%0.61334%0.339SS*.Hα-helixtrans-91.9-34.5-176.450.70000113.7N246 N247N246-T250 WeakPolarHBondContact O-CB 3.4Å; N246-T250 WeakPolarHBondContact O-CG2 3.36Å; N246-T250 PolarHBondContact O-N 3.16Å; N246-T250 PolarHBondContact O-OG1 2.99Å; N247-T250 PolarHBondContact O-OG1 3.24Å
251M69.9Low72.3Confident66 Ų6666.7 Ų66.733%0.32535%0.345SS..Hα-helixtrans-87.8-23.6-174.7-65.5-139.1-69.400114.2N247 L310 T313N247-M251 VanDerWaalsContact CG-CE 3.43Å; N247-M251 WeakPolarHBondContact ND2-CE 3.19Å; N247-M251 WeakPolarHBondContact O-CB 3.46Å; N247-M251 VanDerWaalsContact O-CG 3.29Å; N247-M251 WeakPolarHBondContact O-CG 3.47Å; N247-M251 PolarHBondContact O-N 2.82Å; N247-M251 WeakPolarHBondContact OD1-CE 3.08Å; N247-M251 VanDerWaalsContact OD1-CG 3.3Å; N247-M251 WeakPolarHBondContact OD1-CG 3.25Å; N247-M251 PolarHBondContact OD1-SD 2.9Å; N247-M251 VanDerWaalsContact OD1-SD 3.38Å; M251-L310 HydrophobicContact CE-CD2 3.68Å; M251-T313 HydrophobicContact CE-CG2 4.35Å; M251-T313 HydrophobicContact SD-CG2 3.8Å
252Y75.8Confident72.6Confident4 Ų472 Ų722%0.01637%0.366CS..SBendtrans-115.5119.3-174.4-52.5-54.1000110.5M248 K279 P282 F296 V309M248-Y252 HydrophobicContact CB-CD2 4.38Å; M248-Y252 HydrophobicContact CG-CD2 4.07Å; M248-Y252 WeakPolarHBondContact O-CD2 3.4Å; M248-Y252 PolarHBondContact O-N 2.76Å; Y252-K279 PolarHBondContact O-NZ 3.01Å; Y252-P282 HydrophobicContact CD1-CG 4.12Å; Y252-P282 VanDerWaalsContact CE1-CD 3.47Å; Y252-P282 HydrophobicContact CE1-CG 3.71Å; Y252-F296 HydrophobicContact CD2-CE2 4.22Å; Y252-F296 AromaticContact CE2-CE2 3.63Å; Y252-F296 HydrophobicContact CE2-CE2 3.63Å; Y252-F296 HydrophobicContact CE2-CZ 4.32Å; Y252-V309 WeakPolarHBondContact OH-CB 3.26Å; Y252-V309 VanDerWaalsContact OH-CG2 3.26Å; Y252-V309 WeakPolarHBondContact OH-CG2 3.47Å
253P78.1Confident72.6Confident89 Ų8967 Ų6758%0.57836%0.358SS*.PPolyproline II helixtrans-64150.2178.328.7-34000110.3K280P253-K280 PolarHBondContact O-N 3.47Å
254D80.8Confident72.5Confident105 Ų10569.3 Ų69.356%0.56137%0.373SS*.BIsolated β-bridgetrans-68.8139169.2-60.6-27.8000108.4T256 A278 K279D254-T256 PolarHBondContact O-N 3Å; D254-A278 CarbonylContact C-O 3.57Å; D254-A278 VanDerWaalsContact CA-O 3.28Å; D254-A278 WeakPolarHBondContact CA-O 3.38Å; D254-K279 WeakPolarHBondContact OD1-CE 3.46Å; D254-K279 IonicContact OD1-NZ 2.87Å; D254-K279 PolarHBondContact OD1-NZ 3.41Å
255A75.8Confident73.1Confident13 Ų1371.2 Ų71.211%0.10738%0.383CS..PPolyproline II helixtrans-66.8132.9179.900000109.3L260 A278 K280 I286A255-L260 HydrophobicContact CB-CG 4.27Å; A255-A278 HydrophobicContact CB-CB 3.92Å; A255-A278 PolarHBondContact N-O 3.42Å; A255-K280 HydrophobicContact CB-CB 4.47Å; A255-I286 HydrophobicContact CB-CD1 4.25Å; A255-I286 HydrophobicContact CB-CG2 4.03Å
256T79Confident74Confident77 Ų7774.2 Ų74.247%0.47240%0.402SS..PPolyproline II helixtrans-68.9152.5177.958.60000110.6D254 E258 E259 L260D254-T256 PolarHBondContact O-N 3Å; T256-E258 PolarHBondContact O-N 2.96Å; T256-E258 VanDerWaalsContact O-N 3.1Å; T256-E259 PolarHBondContact N-OE2 2.84Å; T256-E259 PolarHBondContact O-N 3.06Å; T256-E259 VanDerWaalsContact OG1-CD 3.3Å; T256-E259 WeakPolarHBondContact OG1-CG 3.33Å; T256-E259 PolarHBondContact OG1-N 3Å; T256-E259 PolarHBondContact OG1-OE2 3.41Å; T256-L260 PolarHBondContact O-N 3.37Å
257A75Confident74.9Confident63 Ų6369.3 Ų69.352%0.52138%0.376SS..Hα-helixtrans-57.6-26.5176.700000112.6R261A257-R261 WeakPolarHBondContact O-CG 3.27Å; A257-R261 PolarHBondContact O-N 3.25Å
258E76.6Confident75.8Confident85 Ų8571.6 Ų71.640%0.39739%0.387SS..Hα-helixtrans-73.5-41.3174.4-17158.4-154.600112.3T256 L260 R261 Q262T256-E258 PolarHBondContact O-N 2.96Å; T256-E258 VanDerWaalsContact O-N 3.1Å; E258-L260 VanDerWaalsContact C-N 3.29Å; E258-L260 PolarHBondContact O-N 3.45Å; E258-R261 PolarHBondContact O-N 3.23Å; E258-R261 VanDerWaalsContact O-N 3.16Å; E258-R261 IonicContact OE2-CZ 3.21Å; E258-R261 IonicContact OE2-NE 3.67Å; E258-R261 PolarHBondContact OE2-NE 2.88Å; E258-R261 IonicContact OE2-NH2 2.65Å; E258-R261 PolarHBondContact OE2-NH2 2.89Å; E258-Q262 WeakPolarHBondContact O-CG 3.43Å; E258-Q262 PolarHBondContact O-N 2.99Å; E258-Q262 VanDerWaalsContact O-N 3.11Å; E258-Q262 PolarHBondContact OE1-NE2 3.25Å
259E73Confident76.6Confident55 Ų5574.3 Ų74.326%0.25740%0.401SS..Hα-helixtrans-66-32.1175.8-72.6169.1138.300112.4T256 Q262 G263 K280T256-E259 PolarHBondContact N-OE2 2.84Å; T256-E259 PolarHBondContact O-N 3.06Å; T256-E259 VanDerWaalsContact OG1-CD 3.3Å; T256-E259 WeakPolarHBondContact OG1-CG 3.33Å; T256-E259 PolarHBondContact OG1-N 3Å; T256-E259 PolarHBondContact OG1-OE2 3.41Å; E259-Q262 PolarHBondContact O-N 2.97Å; E259-G263 PolarHBondContact O-N 3.35Å; E259-K280 IonicContact OE1-NZ 2.96Å; E259-K280 PolarHBondContact OE1-NZ 2.94Å
260L74.5Confident77.4Confident29 Ų2972.4 Ų72.415%0.15239%0.394CS..Hα-helixtrans-69.3-32.3173.4-74.6164.8000112.4A255 T256 E258 I274 A278 I286A255-L260 HydrophobicContact CB-CG 4.27Å; T256-L260 PolarHBondContact O-N 3.37Å; E258-L260 VanDerWaalsContact C-N 3.29Å; E258-L260 PolarHBondContact O-N 3.45Å; L260-I274 HydrophobicContact CD2-CB 4.16Å; L260-I274 HydrophobicContact CD2-CG2 3.7Å; L260-A278 HydrophobicContact CD1-CB 4.33Å; L260-A278 HydrophobicContact CD2-CB 3.9Å; L260-I286 HydrophobicContact CD2-CG2 4.22Å
261R69.9Low78.1Confident172 Ų17277.7 Ų77.765%0.64940%0.403SS*.Hα-helixtrans-73.4-30.5175.1-75.9-173.9-72.1-106.97.3113.2A257 E258A257-R261 WeakPolarHBondContact O-CG 3.27Å; A257-R261 PolarHBondContact O-N 3.25Å; E258-R261 PolarHBondContact O-N 3.23Å; E258-R261 VanDerWaalsContact O-N 3.16Å; E258-R261 IonicContact OE2-CZ 3.21Å; E258-R261 IonicContact OE2-NE 3.67Å; E258-R261 PolarHBondContact OE2-NE 2.88Å; E258-R261 IonicContact OE2-NH2 2.65Å; E258-R261 PolarHBondContact OE2-NH2 2.89Å
262Q69Low79Confident146 Ų14680.6 Ų80.668%0.68242%0.415SS*.Hα-helixtrans-94.3-19.7-176.4-66.2178.63.800113.6E258 E259E258-Q262 WeakPolarHBondContact O-CG 3.43Å; E258-Q262 PolarHBondContact O-N 2.99Å; E258-Q262 VanDerWaalsContact O-N 3.11Å; E258-Q262 PolarHBondContact OE1-NE2 3.25Å; E259-Q262 PolarHBondContact O-N 2.97Å
263G66.4Low79.5Confident34 Ų3486.5 Ų86.535%0.35144%0.443SS..SBendtrans-101.2-179.2-172.700000115E259 V265E259-G263 PolarHBondContact O-N 3.35Å; G263-V265 PolarHBondContact O-N 2.98Å; G263-V265 VanDerWaalsContact O-N 3.11Å
264E65.8Low79.8Confident157 Ų15782.4 Ų82.473%0.73442%0.416SS*.  trans-61.5112.7169.8-69.4-178.5163.900109.7V266E264-V266 PolarHBondContact O-N 2.92Å
265V76.3Confident79.6Confident50 Ų5082.7 Ų82.730%0.30342%0.422SS..  trans-76.6-1.9-177.8-151.90000111.9G263 E273 I274G263-V265 PolarHBondContact O-N 2.98Å; G263-V265 VanDerWaalsContact O-N 3.11Å; V265-E273 HydrophobicContact CB-CG 4.01Å; V265-E273 HydrophobicContact CG1-CG 3.4Å; V265-E273 WeakPolarHBondContact CG1-OE1 3.46Å; V265-E273 CarbonylContact O-C 3.29Å; V265-E273 VanDerWaalsContact O-CA 3.22Å; V265-E273 WeakPolarHBondContact O-CA 3.49Å; V265-E273 WeakPolarHBondContact O-CG 3.01Å; V265-I274 PolarHBondContact O-N 3.22Å
266V87Confident79.7Confident81 Ų8189.7 Ų89.749%0.49145%0.452SS..BIsolated β-bridgetrans-111.5127.2-174.3-177.30000111.4E264 I268E264-V266 PolarHBondContact O-N 2.92Å; V266-I268 PolarHBondContact O-N 3.3Å
267C90.3Very high79.8Confident0 Ų088.3 Ų88.30%045%0.454CS..  trans-77.5121.2175.8-176.70000111.2I269 C270 R271 E272 I274 H288C267-I269 PolarHBondContact O-N 3.45Å; C267-C270 PolarHBondContact O-N 3.47Å; C267-R271 WeakPolarHBondContact O-CA 3.36Å; C267-R271 PolarHBondContact O-N 2.95Å; C267-E272 PolarHBondContact N-O 2.93Å; C267-I274 HydrophobicContact CB-CD1 3.87Å; C267-I274 HydrophobicContact CB-CG1 3.8Å; C267-H288 WeakPolarHBondContact CB-ND1 3.34Å
268I89.3Confident80.4Confident96 Ų9685.6 Ų85.649%0.49243%0.431SS..THydrogen-bonded Turntrans-62-18.9-179.5-157.5170.5000114.3V266 F287 P303V266-I268 PolarHBondContact O-N 3.3Å; I268-F287 HydrophobicContact CG2-CD1 4.12Å; I268-F287 HydrophobicContact CG2-CE1 3.57Å; I268-P303 HydrophobicContact CG2-CB 4.01Å
269I88.9Confident80.8Confident58 Ų5881.9 Ų81.930%0.29741%0.414SS..THydrogen-bonded Turntrans-80-48-176.3-59170.6000110.9C267 F287 C291 W295 P303C267-I269 PolarHBondContact O-N 3.45Å; I269-F287 HydrophobicContact CD1-CB 4.42Å; I269-F287 HydrophobicContact CD1-CD1 3.9Å; I269-F287 HydrophobicContact CD1-CG 4.31Å; I269-F287 HydrophobicContact CG1-CD1 4.13Å; I269-C291 HydrophobicContact CB-CB 3.8Å; I269-C291 HydrophobicContact CD1-CB 3.74Å; I269-C291 HydrophobicContact CG1-CB 4.36Å; I269-C291 HydrophobicContact CG2-CB 3.79Å; I269-W295 HydrophobicContact CD1-CB 4.15Å; I269-P303 HydrophobicContact CD1-CG 3.99Å; I269-P303 HydrophobicContact CG1-CB 4.46Å; I269-P303 HydrophobicContact CG1-CG 4.2Å
270C90.3Very high81.5Confident40 Ų4081.9 Ų81.927%0.2741%0.413SS..THydrogen-bonded Turntrans-101.8-14.6178.859.60000114C267 E272 H288C267-C270 PolarHBondContact O-N 3.47Å; C270-E272 HydrophobicContact CB-CG 4.35Å; C270-E272 PolarHBondContact O-N 3.43Å; C270-H288 PolarHBondContact SG-CE1 3.42Å; C270-H288 PolarHBondContact SG-ND1 3.02Å
271R88.4Confident82Confident212 Ų21280.7 Ų80.780%0.841%0.407SS*.  trans62.422.9-173.3-53.9174.2177.8-102.50.1114.1C267C267-R271 WeakPolarHBondContact O-CA 3.36Å; C267-R271 PolarHBondContact O-N 2.95Å
272E88.6Confident82.6Confident127 Ų12774.9 Ų74.959%0.59339%0.391SS*.  trans-105158.1175.8-62171.3177.100110.9C267 C270C267-E272 PolarHBondContact N-O 2.93Å; C270-E272 HydrophobicContact CB-CG 4.35Å; C270-E272 PolarHBondContact O-N 3.43Å
273E86.6Confident83.5Confident127 Ų12768.9 Ų68.959%0.59337%0.365SS*.BIsolated β-bridgetrans-69.4140.6178-161.8171.6-175.400111.6V265 T275 H288V265-E273 HydrophobicContact CB-CG 4.01Å; V265-E273 HydrophobicContact CG1-CG 3.4Å; V265-E273 WeakPolarHBondContact CG1-OE1 3.46Å; V265-E273 CarbonylContact O-C 3.29Å; V265-E273 VanDerWaalsContact O-CA 3.22Å; V265-E273 WeakPolarHBondContact O-CA 3.49Å; V265-E273 WeakPolarHBondContact O-CG 3.01Å; E273-T275 PolarHBondContact O-N 2.75Å; E273-H288 PolarHBondContact O-NE2 3.39Å
274I84.6Confident84.4Confident4 Ų471 Ų712%0.02138%0.375CS..  trans-93.691.7-177.1-53.7175.7000108.4L260 V265 C267 A278 I286 H288L260-I274 HydrophobicContact CD2-CB 4.16Å; L260-I274 HydrophobicContact CD2-CG2 3.7Å; V265-I274 PolarHBondContact O-N 3.22Å; C267-I274 HydrophobicContact CB-CD1 3.87Å; C267-I274 HydrophobicContact CB-CG1 3.8Å; I274-A278 HydrophobicContact CG2-CB 3.46Å; I274-A278 VanDerWaalsContact CG2-CB 3.46Å; I274-I286 HydrophobicContact CD1-CG2 4.1Å; I274-H288 WeakPolarHBondContact CA-NE2 3.36Å
275T76.1Confident85.5Confident111 Ų11165.9 Ų65.968%0.68135%0.351SS*.  trans-87.8-40.417952.70000112.5E273E273-T275 PolarHBondContact O-N 2.75Å
276E78.8Confident86.1Confident159 Ų15964.8 Ų64.874%0.74334%0.343SS*.SBendtrans-147.3159.1-177.2-64.3-174.7174.100112.1
277G81.1Confident86.2Confident49 Ų4961 Ų6151%0.50532%0.32SS..  trans66.946.2171.400000114.2T289G277-T289 VanDerWaalsContact O-CB 3.28Å; G277-T289 WeakPolarHBondContact O-CB 3.34Å; G277-T289 PolarHBondContact O-N 3.36Å; G277-T289 PolarHBondContact O-OG1 3.27Å
278A85.9Confident86.2Confident5 Ų562.4 Ų62.44%0.04133%0.326CS..EExtended strand (participates in β ladder)trans-96.6140.9-177.700000112.3D254 A255 L260 I274 I286 F287D254-A278 CarbonylContact C-O 3.57Å; D254-A278 VanDerWaalsContact CA-O 3.28Å; D254-A278 WeakPolarHBondContact CA-O 3.38Å; A255-A278 HydrophobicContact CB-CB 3.92Å; A255-A278 PolarHBondContact N-O 3.42Å; L260-A278 HydrophobicContact CD1-CB 4.33Å; L260-A278 HydrophobicContact CD2-CB 3.9Å; I274-A278 HydrophobicContact CG2-CB 3.46Å; I274-A278 VanDerWaalsContact CG2-CB 3.46Å; A278-I286 HydrophobicContact CB-CG2 3.77Å; A278-F287 WeakPolarHBondContact CA-O 3.39Å
279K86.2Confident86.1Confident8 Ų859.5 Ų59.54%0.03531%0.313CS..EExtended strand (participates in β ladder)trans-116.7135.7173.1-80.3-169.4175.7-63.80111.8M248 Y252 D254 I286 F287 T289 L292M248-K279 HydrophobicContact CE-CD 4.31Å; M248-K279 HydrophobicContact CG-CD 4.03Å; Y252-K279 PolarHBondContact O-NZ 3.01Å; D254-K279 WeakPolarHBondContact OD1-CE 3.46Å; D254-K279 IonicContact OD1-NZ 2.87Å; D254-K279 PolarHBondContact OD1-NZ 3.41Å; K279-I286 WeakPolarHBondContact O-CA 3.47Å; K279-F287 PolarHBondContact N-O 2.68Å; K279-F287 PolarHBondContact O-N 3.01Å; K279-T289 HydrophobicContact CD-CG2 4.3Å; K279-L292 HydrophobicContact CB-CD2 3.95Å
280K86.8Confident85.9Confident54 Ų5460.3 Ų60.324%0.23533%0.328CS..EExtended strand (participates in β ladder)trans-100.3123.4178.5-177.2171.5174.4174.30110.7P253 A255 E259 I286P253-K280 PolarHBondContact O-N 3.47Å; A255-K280 HydrophobicContact CB-CB 4.47Å; E259-K280 IonicContact OE1-NZ 2.96Å; E259-K280 PolarHBondContact OE1-NZ 2.94Å; K280-I286 HydrophobicContact CB-CG1 4.37Å; K280-I286 HydrophobicContact CG-CG1 4.33Å
281L86.4Confident85.8Confident4 Ų459.4 Ų59.42%0.02132%0.322CS..  trans-78.3163.9174.8-84.863000111C283 S284 H285 F287 L292 F296 C302 V309L281-C283 PolarHBondContact O-N 3.45Å; L281-C283 VanDerWaalsContact O-N 3.12Å; L281-S284 WeakPolarHBondContact O-CA 3.48Å; L281-S284 PolarHBondContact O-N 3.16Å; L281-H285 PolarHBondContact N-O 2.92Å; L281-F287 HydrophobicContact CD1-CD2 3.74Å; L281-F287 HydrophobicContact CD1-CE2 3.85Å; L281-F287 HydrophobicContact CD2-CE2 3.99Å; L281-F287 HydrophobicContact CG-CE2 4.47Å; L281-L292 HydrophobicContact CD1-CD1 3.85Å; L281-L292 HydrophobicContact CD1-CD2 3.52Å; L281-L292 HydrophobicContact CD1-CG 4.34Å; L281-L292 HydrophobicContact CD2-CD1 4.48Å; L281-F296 HydrophobicContact CD2-CZ 4.16Å; L281-F296 HydrophobicContact CG-CZ 4.45Å; L281-C302 HydrophobicContact CD2-CB 3.84Å; L281-V309 HydrophobicContact CD2-CG1 3.5Å; L281-V309 HydrophobicContact CG-CG1 4.04Å
282P82.7Confident85.8Confident50 Ų5049.3 Ų49.333%0.32528%0.284SS..THydrogen-bonded Turntrans-60.9-21.4175.7-22.934000114.2Y252 S284 T312 I316Y252-P282 HydrophobicContact CD1-CG 4.12Å; Y252-P282 VanDerWaalsContact CE1-CD 3.47Å; Y252-P282 HydrophobicContact CE1-CG 3.71Å; P282-S284 PolarHBondContact O-N 3.32Å; P282-T312 HydrophobicContact CB-CG2 4.04Å; P282-I316 HydrophobicContact CB-CD1 4.2Å
283C86.6Confident85.5Confident20 Ų2048.1 Ų48.114%0.13527%0.274CS..THydrogen-bonded Turntrans-86.719.1172.259.90000113.4L281 H285 C305 L307L281-C283 PolarHBondContact O-N 3.45Å; L281-C283 VanDerWaalsContact O-N 3.12Å; C283-H285 PolarHBondContact O-N 3.46Å; C283-H285 PolarHBondContact O-ND1 2.87Å; C283-H285 PolarHBondContact SG-ND1 3.44Å; C283-H285 VanDerWaalsContact SG-ND1 3.37Å; C283-C305 VanDerWaalsContact SG-SG 3.65Å; C283-L307 HydrophobicContact CB-CD2 3.7Å
284S85.3Confident85.3Confident80 Ų8044.6 Ų44.656%0.55926%0.264SS*.SBendtrans60.20.6-180580000118.6L281 P282L281-S284 WeakPolarHBondContact O-CA 3.48Å; L281-S284 PolarHBondContact O-N 3.16Å; P282-S284 PolarHBondContact O-N 3.32Å
285H88.5Confident85.4Confident48 Ų4848.3 Ų48.322%0.22228%0.278CS..  trans-72.3139.7172.2-61.3112.6000112.3L281 C283 F287 C302 T304L281-H285 PolarHBondContact N-O 2.92Å; C283-H285 PolarHBondContact O-N 3.46Å; C283-H285 PolarHBondContact O-ND1 2.87Å; C283-H285 PolarHBondContact SG-ND1 3.44Å; C283-H285 VanDerWaalsContact SG-ND1 3.37Å; H285-F287 HydrophobicContact CB-CE2 3.54Å; H285-F287 HydrophobicContact CB-CZ 3.58Å; H285-C302 PolarHBondContact ND1-SG 3.32Å; H285-T304 WeakPolarHBondContact NE2-CG2 3.45Å
286I88.8Confident85.7Confident28 Ų2843.7 Ų43.714%0.14425%0.248CC..EExtended strand (participates in β ladder)trans-113.4137.4-174.5-55.4175.1000109.7A255 L260 I274 A278 K279 K280A255-I286 HydrophobicContact CB-CD1 4.25Å; A255-I286 HydrophobicContact CB-CG2 4.03Å; L260-I286 HydrophobicContact CD2-CG2 4.22Å; I274-I286 HydrophobicContact CD1-CG2 4.1Å; A278-I286 HydrophobicContact CB-CG2 3.77Å; K279-I286 WeakPolarHBondContact O-CA 3.47Å; K280-I286 HydrophobicContact CB-CG1 4.37Å; K280-I286 HydrophobicContact CG-CG1 4.33Å
287F90.1Very high85.4Confident2 Ų240.9 Ų40.91%0.00924%0.235CC..EExtended strand (participates in β ladder)trans-143.1157.8178.3-49.8-87.3000110.6I268 I269 A278 K279 L281 H285 T289 L292 P303 T304I268-F287 HydrophobicContact CG2-CD1 4.12Å; I268-F287 HydrophobicContact CG2-CE1 3.57Å; I269-F287 HydrophobicContact CD1-CB 4.42Å; I269-F287 HydrophobicContact CD1-CD1 3.9Å; I269-F287 HydrophobicContact CD1-CG 4.31Å; I269-F287 HydrophobicContact CG1-CD1 4.13Å; A278-F287 WeakPolarHBondContact CA-O 3.39Å; K279-F287 PolarHBondContact N-O 2.68Å; K279-F287 PolarHBondContact O-N 3.01Å; L281-F287 HydrophobicContact CD1-CD2 3.74Å; L281-F287 HydrophobicContact CD1-CE2 3.85Å; L281-F287 HydrophobicContact CD2-CE2 3.99Å; L281-F287 HydrophobicContact CG-CE2 4.47Å; H285-F287 HydrophobicContact CB-CE2 3.54Å; H285-F287 HydrophobicContact CB-CZ 3.58Å; F287-T289 PolarHBondContact O-N 3.48Å; F287-L292 HydrophobicContact CB-CB 4.17Å; F287-L292 HydrophobicContact CD2-CD1 3.97Å; F287-L292 HydrophobicContact CG-CD1 4.39Å; F287-P303 HydrophobicContact CD1-CG 4.34Å; F287-P303 HydrophobicContact CE1-CB 3.99Å; F287-P303 HydrophobicContact CE1-CG 3.78Å; F287-P303 HydrophobicContact CZ-CB 4.22Å; F287-P303 HydrophobicContact CZ-CG 3.88Å; F287-T304 WeakPolarHBondContact CZ-OG1 3.31Å
288H89.6Confident85Confident28 Ų2848.6 Ų48.613%0.1325%0.249CC..EExtended strand (participates in β ladder)trans-58.7138.9165.8-58.6102.9000110C267 C270 E273 I274 A290 C291 L292C267-H288 WeakPolarHBondContact CB-ND1 3.34Å; C270-H288 PolarHBondContact SG-CE1 3.42Å; C270-H288 PolarHBondContact SG-ND1 3.02Å; E273-H288 PolarHBondContact O-NE2 3.39Å; I274-H288 WeakPolarHBondContact CA-NE2 3.36Å; H288-A290 PolarHBondContact O-N 3.07Å; H288-C291 HydrophobicContact CB-CB 4.08Å; H288-C291 PolarHBondContact O-N 2.87Å; H288-C291 VanDerWaalsContact O-N 3.12Å; H288-L292 WeakPolarHBondContact O-CB 3.45Å; H288-L292 PolarHBondContact O-N 2.82Å
289T87.3Confident84.7Confident36 Ų3653.7 Ų53.722%0.22127%0.272CS..Hα-helixtrans-54.6-41.1178.2-62.70000111.2M248 G277 K279 F287 R293M248-T289 HydrophobicContact CE-CG2 3.71Å; G277-T289 VanDerWaalsContact O-CB 3.28Å; G277-T289 WeakPolarHBondContact O-CB 3.34Å; G277-T289 PolarHBondContact O-N 3.36Å; G277-T289 PolarHBondContact O-OG1 3.27Å; K279-T289 HydrophobicContact CD-CG2 4.3Å; F287-T289 PolarHBondContact O-N 3.48Å; T289-R293 WeakPolarHBondContact O-CB 3.38Å; T289-R293 PolarHBondContact O-N 3.1Å
290A85.8Confident84.3Confident74 Ų7457.1 Ų57.161%0.61229%0.288SS*.Hα-helixtrans-65.6-45178.500000112.7H288 R293 S294H288-A290 PolarHBondContact O-N 3.07Å; A290-R293 WeakPolarHBondContact O-CB 3.4Å; A290-R293 PolarHBondContact O-N 2.86Å; A290-S294 PolarHBondContact O-N 3.32Å; A290-S294 VanDerWaalsContact O-N 3.1Å
291C88.6Confident84.4Confident21 Ų2156.1 Ų56.114%0.14229%0.286CS..Hα-helixtrans-64.5-46.3178.5-65.80000111.6I269 H288 R293 S294 W295I269-C291 HydrophobicContact CB-CB 3.8Å; I269-C291 HydrophobicContact CD1-CB 3.74Å; I269-C291 HydrophobicContact CG1-CB 4.36Å; I269-C291 HydrophobicContact CG2-CB 3.79Å; H288-C291 HydrophobicContact CB-CB 4.08Å; H288-C291 PolarHBondContact O-N 2.87Å; H288-C291 VanDerWaalsContact O-N 3.12Å; C291-R293 VanDerWaalsContact C-N 3.29Å; C291-R293 PolarHBondContact O-N 3.32Å; C291-S294 PolarHBondContact O-N 3.37Å; C291-W295 PolarHBondContact O-N 3.2Å
292L87.8Confident84.4Confident0 Ų056 Ų560%029%0.286CS..Hα-helixtrans-62.1-38.8177.6-172.263.1000111.8M248 K279 L281 F287 H288 W295 F296M248-L292 HydrophobicContact CG-CD2 3.98Å; M248-L292 HydrophobicContact CG-CG 4.4Å; M248-L292 HydrophobicContact SD-CB 4.04Å; M248-L292 HydrophobicContact SD-CD2 3.91Å; M248-L292 HydrophobicContact SD-CG 3.83Å; K279-L292 HydrophobicContact CB-CD2 3.95Å; L281-L292 HydrophobicContact CD1-CD1 3.85Å; L281-L292 HydrophobicContact CD1-CD2 3.52Å; L281-L292 HydrophobicContact CD1-CG 4.34Å; L281-L292 HydrophobicContact CD2-CD1 4.48Å; F287-L292 HydrophobicContact CB-CB 4.17Å; F287-L292 HydrophobicContact CD2-CD1 3.97Å; F287-L292 HydrophobicContact CG-CD1 4.39Å; H288-L292 WeakPolarHBondContact O-CB 3.45Å; H288-L292 PolarHBondContact O-N 2.82Å; L292-W295 PolarHBondContact O-N 3.31Å; L292-F296 HydrophobicContact CD1-CD1 4.27Å; L292-F296 HydrophobicContact CD1-CD2 4.46Å; L292-F296 HydrophobicContact CD1-CE1 3.82Å; L292-F296 HydrophobicContact CD1-CE2 4Å; L292-F296 HydrophobicContact CD1-CZ 3.66Å; L292-F296 HydrophobicContact CD2-CE2 4.16Å; L292-F296 HydrophobicContact CD2-CZ 4.47Å; L292-F296 HydrophobicContact CG-CD2 4.23Å; L292-F296 HydrophobicContact CG-CE2 3.96Å; L292-F296 HydrophobicContact CG-CZ 4.16Å; L292-F296 PolarHBondContact O-N 2.9Å
293R81.9Confident84.8Confident103 Ų10354.8 Ų54.839%0.38928%0.278SS..Hα-helixtrans-59.8-46.1175.5-164.4-176.3-154.4-96.212.6112.1I245 M248 T289 A290 C291 W295 Q297I245-R293 HydrophobicContact CG1-CG 3.74Å; I245-R293 VanDerWaalsContact CG1-CZ 3.47Å; I245-R293 VanDerWaalsContact CG2-CZ 3.49Å; I245-R293 VanDerWaalsContact CG2-NE 3.35Å; I245-R293 VanDerWaalsContact CG2-NH2 3.26Å; M248-R293 HydrophobicContact CE-CB 3.94Å; M248-R293 HydrophobicContact CE-CG 4.17Å; M248-R293 HydrophobicContact SD-CB 4.09Å; T289-R293 WeakPolarHBondContact O-CB 3.38Å; T289-R293 PolarHBondContact O-N 3.1Å; A290-R293 WeakPolarHBondContact O-CB 3.4Å; A290-R293 PolarHBondContact O-N 2.86Å; C291-R293 VanDerWaalsContact C-N 3.29Å; C291-R293 PolarHBondContact O-N 3.32Å; R293-W295 VanDerWaalsContact C-N 3.33Å; R293-Q297 WeakPolarHBondContact O-CG 3.37Å; R293-Q297 PolarHBondContact O-N 3.44Å
294S82Confident84.9Confident53 Ų5356.7 Ų56.737%0.37129%0.289SS..Hα-helixtrans-64-39.5177.1-174.90000111.6A290 C291A290-S294 PolarHBondContact O-N 3.32Å; A290-S294 VanDerWaalsContact O-N 3.1Å; C291-S294 PolarHBondContact O-N 3.37Å
295W86.5Confident85.2Confident82 Ų8255.7 Ų55.731%0.31128%0.281SS..Hα-helixtrans-65.5-48.9176.9-175.5-95.9000112.6I269 C291 L292 R293 Q297 R298 Q299 T301 P303I269-W295 HydrophobicContact CD1-CB 4.15Å; C291-W295 PolarHBondContact O-N 3.2Å; L292-W295 PolarHBondContact O-N 3.31Å; R293-W295 VanDerWaalsContact C-N 3.33Å; W295-Q297 PolarHBondContact O-N 3.38Å; W295-R298 PolarHBondContact O-N 2.67Å; W295-Q299 PolarHBondContact O-N 3.43Å; W295-T301 PolarHBondContact NE1-O 3.48Å; W295-P303 HydrophobicContact CD2-CB 4.41Å; W295-P303 HydrophobicContact CD2-CG 3.88Å; W295-P303 HydrophobicContact CG-CG 3.92Å; W295-P303 HydrophobicContact CZ2-CB 4.23Å; W295-P303 HydrophobicContact CZ2-CG 4.38Å
296F83.1Confident85.1Confident13 Ų1363.5 Ų63.56%0.05731%0.309CS..Hα-helixtrans-68.6-15.3-179.7-76.7-3.9000114.8M248 Y252 L281 L292 R298 Q299 V309M248-F296 HydrophobicContact CB-CD2 4.19Å; M248-F296 HydrophobicContact CG-CD2 4.06Å; M248-F296 HydrophobicContact CG-CE2 4.19Å; M248-F296 HydrophobicContact SD-CD2 4.32Å; Y252-F296 HydrophobicContact CD2-CE2 4.22Å; Y252-F296 AromaticContact CE2-CE2 3.63Å; Y252-F296 HydrophobicContact CE2-CE2 3.63Å; Y252-F296 HydrophobicContact CE2-CZ 4.32Å; L281-F296 HydrophobicContact CD2-CZ 4.16Å; L281-F296 HydrophobicContact CG-CZ 4.45Å; L292-F296 HydrophobicContact CD1-CD1 4.27Å; L292-F296 HydrophobicContact CD1-CD2 4.46Å; L292-F296 HydrophobicContact CD1-CE1 3.82Å; L292-F296 HydrophobicContact CD1-CE2 4Å; L292-F296 HydrophobicContact CD1-CZ 3.66Å; L292-F296 HydrophobicContact CD2-CE2 4.16Å; L292-F296 HydrophobicContact CD2-CZ 4.47Å; L292-F296 HydrophobicContact CG-CD2 4.23Å; L292-F296 HydrophobicContact CG-CE2 3.96Å; L292-F296 HydrophobicContact CG-CZ 4.16Å; L292-F296 PolarHBondContact O-N 2.9Å; F296-R298 PolarHBondContact O-N 2.97Å; F296-Q299 WeakPolarHBondContact CA-O 3.43Å; F296-Q299 WeakPolarHBondContact CD1-O 3.38Å; F296-V309 HydrophobicContact CE1-CG2 4.03Å; F296-V309 HydrophobicContact CE2-CG2 4.29Å; F296-V309 HydrophobicContact CZ-CG1 4.33Å; F296-V309 HydrophobicContact CZ-CG2 3.63Å
297Q71.8Confident84.9Confident101 Ų10165.3 Ų65.347%0.47232%0.319SS..THydrogen-bonded Turntrans-65.7-24.4167.2-77173.6-12.200112.4R293 W295R293-Q297 WeakPolarHBondContact O-CG 3.37Å; R293-Q297 PolarHBondContact O-N 3.44Å; W295-Q297 PolarHBondContact O-N 3.38Å
298R74Confident84.5Confident211 Ų21168.4 Ų68.480%0.79634%0.335SS*.THydrogen-bonded Turntrans-107.4-47.7-178.3-60177.3-174.41591.4112.4W295 F296W295-R298 PolarHBondContact O-N 2.67Å; F296-R298 PolarHBondContact O-N 2.97Å
299Q79.2Confident83.8Confident111 Ų11167.1 Ų67.152%0.51933%0.329SS..  trans-141.9132.1-175.1-63.3-171-1.700111.4W295 F296 T301W295-Q299 PolarHBondContact O-N 3.43Å; F296-Q299 WeakPolarHBondContact CA-O 3.43Å; F296-Q299 WeakPolarHBondContact CD1-O 3.38Å; Q299-T301 VanDerWaalsContact C-N 3.27Å; Q299-T301 PolarHBondContact O-N 2.73Å
300Q78.6Confident83Confident81 Ų8167.5 Ų67.538%0.37933%0.33SS..  trans-94.343.7-179.5-64.8176.2-30.700112.3V309 L310Q300-V309 WeakPolarHBondContact O-CG2 3.24Å; Q300-V309 PolarHBondContact O-N 3.5Å; Q300-L310 HydrophobicContact CB-CD1 4.47Å
301T86.8Confident82.2Confident33 Ų3369.4 Ų69.420%0.20233%0.326CS..BIsolated β-bridgetrans-121151.1178.750.20000109.4W295 Q299 L307W295-T301 PolarHBondContact NE1-O 3.48Å; Q299-T301 VanDerWaalsContact C-N 3.27Å; Q299-T301 PolarHBondContact O-N 2.73Å; T301-L307 CarbonylContact C-O 3.41Å; T301-L307 WeakPolarHBondContact CA-O 3.49Å
302C88.1Confident81.2Confident1 Ų169.9 Ų69.91%0.00733%0.328CS..  trans-64129.3173.5179.30000110.2L281 H285 T304 C305 R306 L307 V309L281-C302 HydrophobicContact CD2-CB 3.84Å; H285-C302 PolarHBondContact ND1-SG 3.32Å; C302-T304 PolarHBondContact O-N 2.88Å; C302-T304 PolarHBondContact SG-N 3.32Å; C302-C305 VanDerWaalsContact CB-SG 3.54Å; C302-C305 VanDerWaalsContact SG-SG 3.61Å; C302-R306 WeakPolarHBondContact O-CA 3.45Å; C302-R306 PolarHBondContact O-N 2.63Å; C302-L307 HydrophobicContact CB-CB 4.48Å; C302-L307 PolarHBondContact N-O 2.63Å; C302-V309 HydrophobicContact CB-CG1 4.47Å
303P90.2Very high80.1Confident25 Ų2571.4 Ų71.416%0.16234%0.338CS..THydrogen-bonded Turntrans-56.8-34.1175.9-22.628.8000113.8I268 I269 F287 W295I268-P303 HydrophobicContact CG2-CB 4.01Å; I269-P303 HydrophobicContact CD1-CG 3.99Å; I269-P303 HydrophobicContact CG1-CB 4.46Å; I269-P303 HydrophobicContact CG1-CG 4.2Å; F287-P303 HydrophobicContact CD1-CG 4.34Å; F287-P303 HydrophobicContact CE1-CB 3.99Å; F287-P303 HydrophobicContact CE1-CG 3.78Å; F287-P303 HydrophobicContact CZ-CB 4.22Å; F287-P303 HydrophobicContact CZ-CG 3.88Å; W295-P303 HydrophobicContact CD2-CB 4.41Å; W295-P303 HydrophobicContact CD2-CG 3.88Å; W295-P303 HydrophobicContact CG-CG 3.92Å; W295-P303 HydrophobicContact CZ2-CB 4.23Å; W295-P303 HydrophobicContact CZ2-CG 4.38Å
304T88.9Confident79.1Confident59 Ų5969.8 Ų69.836%0.36234%0.342SS..THydrogen-bonded Turntrans-84.5-53.3-175.1-44.70000112.2H285 F287 C302H285-T304 WeakPolarHBondContact NE2-CG2 3.45Å; F287-T304 WeakPolarHBondContact CZ-OG1 3.31Å; C302-T304 PolarHBondContact O-N 2.88Å; C302-T304 PolarHBondContact SG-N 3.32Å
305C90.6Very high78.2Confident60 Ų6075.2 Ų75.241%0.40535%0.354SS..THydrogen-bonded Turntrans-107.41.2-174.264.90000115.5C283 C302 L307C283-C305 VanDerWaalsContact SG-SG 3.65Å; C302-C305 VanDerWaalsContact CB-SG 3.54Å; C302-C305 VanDerWaalsContact SG-SG 3.61Å; C305-L307 PolarHBondContact O-N 2.95Å; C305-L307 VanDerWaalsContact SG-CB 3.56Å
306R87.4Confident77Confident212 Ų21274.6 Ų74.680%0.836%0.357SS*.  trans58.39.5-177.1-55.4-176.8179.5-170.20.2115.4C302 N308C302-R306 WeakPolarHBondContact O-CA 3.45Å; C302-R306 PolarHBondContact O-N 2.63Å; R306-N308 PolarHBondContact O-N 3.05Å
307L85Confident75.8Confident66 Ų6683.4 Ų83.435%0.34639%0.389SS..  trans-59.1130.8176-174.868.9000110.2C283 T301 C302 C305 V309 T312C283-L307 HydrophobicContact CB-CD2 3.7Å; T301-L307 CarbonylContact C-O 3.41Å; T301-L307 WeakPolarHBondContact CA-O 3.49Å; C302-L307 HydrophobicContact CB-CB 4.48Å; C302-L307 PolarHBondContact N-O 2.63Å; C305-L307 PolarHBondContact O-N 2.95Å; C305-L307 VanDerWaalsContact SG-CB 3.56Å; L307-V309 PolarHBondContact O-N 3.27Å; L307-V309 VanDerWaalsContact O-N 3.12Å; L307-T312 HydrophobicContact CD2-CG2 4.09Å; L307-T312 WeakPolarHBondContact CD2-OG1 3.29Å; L307-T312 WeakPolarHBondContact CG-OG1 3.36Å
308N81.3Confident75.1Confident66 Ų6688.7 Ų88.735%0.35341%0.405SS..BIsolated β-bridgetrans-71.5104.6172.8-171.3-52.2000109.5R306 L310 Q311 T312R306-N308 PolarHBondContact O-N 3.05Å; N308-L310 VanDerWaalsContact C-N 3.33Å; N308-L310 PolarHBondContact O-N 2.9Å; N308-L310 PolarHBondContact OD1-N 3.44Å; N308-Q311 HydrophobicContact CB-CB 4.24Å; N308-Q311 PolarHBondContact O-N 3.43Å; N308-Q311 PolarHBondContact OD1-N 3.1Å; N308-T312 PolarHBondContact O-N 3.41Å; N308-T312 PolarHBondContact O-OG1 3.37Å
309V74.9Confident74.3Confident1 Ų186.5 Ų86.51%0.00640%0.404CS..Hα-helixtrans-68.1-31.9-169.7-66.70000112.8Y252 L281 F296 Q300 C302 L307 T312 T313Y252-V309 WeakPolarHBondContact OH-CB 3.26Å; Y252-V309 VanDerWaalsContact OH-CG2 3.26Å; Y252-V309 WeakPolarHBondContact OH-CG2 3.47Å; L281-V309 HydrophobicContact CD2-CG1 3.5Å; L281-V309 HydrophobicContact CG-CG1 4.04Å; F296-V309 HydrophobicContact CE1-CG2 4.03Å; F296-V309 HydrophobicContact CE2-CG2 4.29Å; F296-V309 HydrophobicContact CZ-CG1 4.33Å; F296-V309 HydrophobicContact CZ-CG2 3.63Å; Q300-V309 WeakPolarHBondContact O-CG2 3.24Å; Q300-V309 PolarHBondContact O-N 3.5Å; C302-V309 HydrophobicContact CB-CG1 4.47Å; L307-V309 PolarHBondContact O-N 3.27Å; L307-V309 VanDerWaalsContact O-N 3.12Å; V309-T312 PolarHBondContact O-N 3.08Å; V309-T313 PolarHBondContact O-N 3.04Å; V309-T313 PolarHBondContact O-OG1 3.37Å
310L70.8Confident73.1Confident45 Ų4588.4 Ų88.424%0.23641%0.413CS..Hα-helixtrans-69.5-38.5179.2-64.9-172.7000112.5N247 M251 Q300 N308 S314N247-L310 WeakPolarHBondContact ND2-CD2 3.49Å; M251-L310 HydrophobicContact CE-CD2 3.68Å; Q300-L310 HydrophobicContact CB-CD1 4.47Å; N308-L310 VanDerWaalsContact C-N 3.33Å; N308-L310 PolarHBondContact O-N 2.9Å; N308-L310 PolarHBondContact OD1-N 3.44Å; L310-S314 PolarHBondContact O-N 2.92Å; L310-S314 PolarHBondContact O-OG 3.28Å
311Q69.4Low71.2Confident114 Ų11489.2 Ų89.253%0.53342%0.423SS..Hα-helixtrans-69.3-37.8179.7-166.6173.91200111.2N308 S314 R315N308-Q311 HydrophobicContact CB-CB 4.24Å; N308-Q311 PolarHBondContact O-N 3.43Å; N308-Q311 PolarHBondContact OD1-N 3.1Å; Q311-S314 PolarHBondContact O-N 3.2Å; Q311-R315 PolarHBondContact O-N 3.24Å
312T66.6Low69.1Low30 Ų3093.2 Ų93.218%0.18445%0.45CS..Hα-helixtrans-68.1-46.1179.3-58.30000112.2P282 L307 N308 V309 S314 R315 I316P282-T312 HydrophobicContact CB-CG2 4.04Å; L307-T312 HydrophobicContact CD2-CG2 4.09Å; L307-T312 WeakPolarHBondContact CD2-OG1 3.29Å; L307-T312 WeakPolarHBondContact CG-OG1 3.36Å; N308-T312 PolarHBondContact O-N 3.41Å; N308-T312 PolarHBondContact O-OG1 3.37Å; V309-T312 PolarHBondContact O-N 3.08Å; T312-S314 PolarHBondContact O-N 2.94Å; T312-R315 WeakPolarHBondContact O-CB 3.31Å; T312-R315 PolarHBondContact O-N 3.27Å; T312-I316 HydrophobicContact CG2-CD1 3.99Å; T312-I316 WeakPolarHBondContact O-CG1 3.08Å; T312-I316 PolarHBondContact O-N 3.49Å; T312-I316 VanDerWaalsContact O-N 3.08Å
313T64.7Low67.2Low33 Ų3397.5 Ų97.520%0.20249%0.485CS..Hα-helixtrans-59.6-36.3177.6-50.20000112M251 V309 R315 I316 R317M251-T313 HydrophobicContact CE-CG2 4.35Å; M251-T313 HydrophobicContact SD-CG2 3.8Å; V309-T313 PolarHBondContact O-N 3.04Å; V309-T313 PolarHBondContact O-OG1 3.37Å; T313-R315 VanDerWaalsContact C-N 3.34Å; T313-R315 PolarHBondContact O-N 2.64Å; T313-I316 PolarHBondContact O-N 3.07Å; T313-R317 PolarHBondContact O-N 3.37Å; T313-R317 VanDerWaalsContact O-N 3.13Å
314S60.5Low65.1Low69 Ų69102 Ų10248%0.48352%0.515SS..Hα-helixtrans-66.2-32.6176-57.20000113.2L310 Q311 T312 R318L310-S314 PolarHBondContact O-N 2.92Å; L310-S314 PolarHBondContact O-OG 3.28Å; Q311-S314 PolarHBondContact O-N 3.2Å; T312-S314 PolarHBondContact O-N 2.94Å; S314-R318 WeakPolarHBondContact O-CG 3.46Å; S314-R318 PolarHBondContact O-N 2.87Å
315R63.1Low63.2Low167 Ų167106.4 Ų106.463%0.6354%0.536SS*.Hα-helixtrans-73-44.1175.8-75.1-175.9176.7-173.2-0.1111.7Q311 T312 T313 R317 R318 Q319Q311-R315 PolarHBondContact O-N 3.24Å; T312-R315 WeakPolarHBondContact O-CB 3.31Å; T312-R315 PolarHBondContact O-N 3.27Å; T313-R315 VanDerWaalsContact C-N 3.34Å; T313-R315 PolarHBondContact O-N 2.64Å; R315-R317 VanDerWaalsContact C-N 3.32Å; R315-R317 PolarHBondContact O-N 2.86Å; R315-R318 PolarHBondContact O-N 2.95Å; R315-Q319 PolarHBondContact O-N 3.3Å
316I62.4Low61.5Low69 Ų69109.3 Ų109.335%0.35455%0.554SS.*Hα-helixtrans-60.9-43.2179.4-63.2168.2000110.4P282 T312 T313 R318 Q319 Q320P282-I316 HydrophobicContact CB-CD1 4.2Å; T312-I316 HydrophobicContact CG2-CD1 3.99Å; T312-I316 WeakPolarHBondContact O-CG1 3.08Å; T312-I316 PolarHBondContact O-N 3.49Å; T312-I316 VanDerWaalsContact O-N 3.08Å; T313-I316 PolarHBondContact O-N 3.07Å; I316-R318 VanDerWaalsContact C-N 3.34Å; I316-R318 PolarHBondContact O-N 3.49Å; I316-Q319 PolarHBondContact O-N 2.91Å; I316-Q319 VanDerWaalsContact O-N 3.16Å; I316-Q320 PolarHBondContact O-N 3.44Å
317R57.8Low59.6Low197 Ų197105.2 Ų105.274%0.74356%0.555SS**Hα-helixtrans-65.5-33178.5-163.6174.2-177.2-177.61.6113.6T313 R315 Q319 Q320 T321T313-R317 PolarHBondContact O-N 3.37Å; T313-R317 VanDerWaalsContact O-N 3.13Å; R315-R317 VanDerWaalsContact C-N 3.32Å; R315-R317 PolarHBondContact O-N 2.86Å; R317-Q319 VanDerWaalsContact C-N 3.32Å; R317-Q320 PolarHBondContact O-N 3.28Å; R317-T321 PolarHBondContact O-OG1 3.39Å
318R57.3Low57.5Low212 Ų212113.4 Ų113.480%0.858%0.581SS**Hα-helixtrans-69.8-28.3175-76.6-177.3-170.2-177.43.5112.9S314 R315 I316 Q320S314-R318 WeakPolarHBondContact O-CG 3.46Å; S314-R318 PolarHBondContact O-N 2.87Å; R315-R318 PolarHBondContact O-N 2.95Å; I316-R318 VanDerWaalsContact C-N 3.34Å; I316-R318 PolarHBondContact O-N 3.49Å; R318-Q320 VanDerWaalsContact C-N 3.34Å
319Q56.5Low55.4Low166 Ų166116.2 Ų116.278%0.77660%0.603SS**Hα-helixtrans-79.1-17.1177.7-74.9173.8-1800113.1R315 I316 R317R315-Q319 PolarHBondContact O-N 3.3Å; I316-Q319 PolarHBondContact O-N 2.91Å; I316-Q319 VanDerWaalsContact O-N 3.16Å; R317-Q319 VanDerWaalsContact C-N 3.32Å
320Q53.4Low53.6Low150 Ų150125.5 Ų125.570%0.70165%0.646SS**SBendtrans-98-0-177.9-71.2176-13.700114.5I316 R317 R318I316-Q320 PolarHBondContact O-N 3.44Å; R317-Q320 PolarHBondContact O-N 3.28Å; R318-Q320 VanDerWaalsContact C-N 3.34Å
321T38.7Very low51.7Low98 Ų98131.1 Ų131.160%0.60168%0.676SS**SBendtrans-95.8122.5174.7-37.30000109R317 A323R317-T321 PolarHBondContact O-OG1 3.39Å; T321-A323 PolarHBondContact O-N 3.05Å
322P43.1Very low50Low117 Ų117134.4 Ų134.476%0.7669%0.692SS**PPolyproline II helixtrans-60.6122.4174.8-13.726.4000108.6P324P322-P324 WeakPolarHBondContact O-CD 3.42Å
323A49.1Very low48.3Very low91 Ų91139 Ų13975%0.75272%0.722SS**PPolyproline II helixtrans-64.2127.8-178.200000110.5T321T321-A323 PolarHBondContact O-N 3.05Å
324P46.7Very low46.7Very low120 Ų120145.9 Ų145.978%0.77975%0.752SS**PPolyproline II helixtrans-66.2140.7157.4-3.920.4000108.2P322P322-P324 WeakPolarHBondContact O-CD 3.42Å
325N48.2Very low45.2Very low152 Ų152148.1 Ų148.181%0.81377%0.765SS**  trans-43.6141.7-174.5-73.9-29.9000114.4
326P54.3Low43.9Very low121 Ų121142.5 Ų142.579%0.78676%0.759SS**PPolyproline II helixtrans-74.3132.6-173.629.7-33.2000112
327P48.7Very low42.7Very low125 Ų125143.3 Ų143.381%0.81278%0.776SS**PPolyproline II helixtrans-82.4146.8160.71.416.9000111.1
328R39.9Very low41.9Very low239 Ų239141 Ų14190%0.90278%0.777SS**PPolyproline II helixtrans-46151.6-178.7-106.8172.4170.5170.1-3.5115.4
329P38Very low40.9Very low124 Ų124141.5 Ų141.581%0.80578%0.779SS**PPolyproline II helixtrans-80.6128.5-175.432.4-29.9000111.7
330Q37Very low40.1Very low196 Ų196142.2 Ų142.292%0.91677%0.774SS**  trans-123.6120.5159.7-81.8-177.8-20.100109.3
331N30.9Very low39.2Very low163 Ų163142.4 Ų142.487%0.87278%0.779SS**  trans-56.5133.7173.1-88.4-22.9000111.8
332Q32.4Very low39.3Very low184 Ų184143.5 Ų143.586%0.8678%0.78SS**  trans-167.6133.6139.2-10516421.800110.1
333P32.1Very low39Very low127 Ų127147.4 Ų147.483%0.82578%0.78SS**  trans-87123.4-178.533.3-28.1000109.7
334E30.8Very low38.4Very low177 Ų177149.8 Ų149.883%0.82778%0.78SS**  trans-119.5125.3176.5-98.2-91.9122.900111
335P30Very low38Very low115 Ų115147.7 Ų147.775%0.74776%0.762SS**  trans-79.2156.5-175.533.5-33.4000111.8
336G34.1Very low37.4Very low50 Ų50145.2 Ų145.252%0.51575%0.754SS.*  trans115.975.5161.200000115.6I338G336-I338 PolarHBondContact O-N 2.74Å
337A38.5Very low36.7Very low86 Ų86145.3 Ų145.371%0.71174%0.744SS**G310 helixtrans-60.9-8.417200000114.7
338I39.5Very low36.2Very low148 Ų148142.8 Ų142.876%0.75972%0.723SS**G310 helixtrans-83.2-23.7-174.6-61.2172000112.5G336 R340G336-I338 PolarHBondContact O-N 2.74Å; I338-R340 VanDerWaalsContact C-N 3.33Å; I338-R340 PolarHBondContact O-N 3.02Å
339R36.9Very low36.2Very low222 Ų222135.2 Ų135.284%0.83870%0.7SS**G310 helixtrans-78.9-9.8-175.8-132.7175.5-173.5-169.71.1114.7
340R39.5Very low36.5Very low181 Ų181131.3 Ų131.368%0.68368%0.676SS**G310 helixtrans-89.1-16.1-173.8-88.4-174.3-96.9-142.1-3115.2I338 I342I338-R340 VanDerWaalsContact C-N 3.33Å; I338-R340 PolarHBondContact O-N 3.02Å; R340-I342 VanDerWaalsContact C-N 3.34Å
341L35.7Very low36.8Very low154 Ų154127.7 Ų127.781%0.80666%0.657SS**THydrogen-bonded Turntrans-80.1-14.4177.4-76.9163.1000113.7R343L341-R343 VanDerWaalsContact C-N 3.34Å
342I39Very low37.4Very low121 Ų121121.8 Ų121.862%0.62163%0.629SS**THydrogen-bonded Turntrans-86.3-4.4179.4-58.7174.7000112.1R340 L344 L349R340-I342 VanDerWaalsContact C-N 3.34Å; I342-L344 PolarHBondContact O-N 2.96Å; I342-L344 VanDerWaalsContact O-N 3.15Å; I342-L349 HydrophobicContact CG2-CD1 4.43Å
343R37Very low38.1Very low199 Ų199119 Ų11975%0.75161%0.61SS**  trans-81.214.1-175.1-119.4-166.8-80.6-155.2-3.1115.6L341 N345L341-R343 VanDerWaalsContact C-N 3.34Å; R343-N345 PolarHBondContact O-N 2.95Å; R343-N345 VanDerWaalsContact O-N 3.16Å
344L37Very low39Very low142 Ų142117.2 Ų117.274%0.74359%0.593SS**SBendtrans-82.585.4168.5-79.6160.2000110I342I342-L344 PolarHBondContact O-N 2.96Å; I342-L344 VanDerWaalsContact O-N 3.15Å
345N37.6Very low39.6Very low76 Ų76110.7 Ų110.741%0.40656%0.562SS.*  trans58.497.4166.9-156.3-22.2000117.1R343 H347 L348R343-N345 PolarHBondContact O-N 2.95Å; R343-N345 VanDerWaalsContact O-N 3.16Å; N345-H347 PolarHBondContact O-N 2.72Å; N345-H347 VanDerWaalsContact O-N 3.15Å; N345-H347 WeakPolarHBondContact OD1-CB 3.48Å; N345-H347 PolarHBondContact OD1-N 2.93Å; N345-L348 HydrophobicContact CB-CD1 4.02Å; N345-L348 PolarHBondContact O-N 3.21Å
346P37Very low40.6Very low99 Ų99108 Ų10864%0.64354%0.541SS*.Hα-helixtrans-63-19.4179.524.9-32.5000114.2S350P346-S350 PolarHBondContact O-N 3.39Å
347H38.2Very low41.3Very low124 Ų124108.2 Ų108.257%0.57454%0.538SS*.Hα-helixtrans-68.5-36.3176.3-67.8-76.5000111.8N345 S350 F351N345-H347 PolarHBondContact O-N 2.72Å; N345-H347 VanDerWaalsContact O-N 3.15Å; N345-H347 WeakPolarHBondContact OD1-CB 3.48Å; N345-H347 PolarHBondContact OD1-N 2.93Å; H347-S350 PolarHBondContact O-N 2.84Å; H347-S350 PolarHBondContact O-OG 3.14Å; H347-F351 HydrophobicContact CB-CE2 4.31Å; H347-F351 WeakPolarHBondContact O-CD2 3.4Å; H347-F351 PolarHBondContact O-N 3.43Å; H347-F351 VanDerWaalsContact O-N 3.14Å
348L38.7Very low42Very low72 Ų72105.7 Ų105.738%0.37751%0.513SS..Hα-helixtrans-77.2-29.4-174.4-73.5165.4000113.7N345 S352N345-L348 HydrophobicContact CB-CD1 4.02Å; N345-L348 PolarHBondContact O-N 3.21Å; L348-S352 PolarHBondContact O-N 3.03Å
349L39.9Very low42.5Very low79 Ų7999.9 Ų99.941%0.41448%0.483SS..Hα-helixtrans-71.7-31.9169.3-84.7153.6000111.3I342 R353I342-L349 HydrophobicContact CG2-CD1 4.43Å; L349-R353 VanDerWaalsContact O-CB 3.25Å; L349-R353 WeakPolarHBondContact O-CB 3.47Å; L349-R353 WeakPolarHBondContact O-CD 3.42Å; L349-R353 WeakPolarHBondContact O-CG 3.22Å; L349-R353 PolarHBondContact O-N 3.28Å; L349-R353 VanDerWaalsContact O-N 3.15Å
350S44.4Very low43.1Very low43 Ų4392.1 Ų92.130%0.30146%0.458SS..Hα-helixtrans-67.7-39.1174.486.40000112.4P346 H347 R353 I354P346-S350 PolarHBondContact O-N 3.39Å; H347-S350 PolarHBondContact O-N 2.84Å; H347-S350 PolarHBondContact O-OG 3.14Å; S350-R353 CarbonylContact O-C 3.48Å; S350-R353 WeakPolarHBondContact O-CB 3.47Å; S350-R353 PolarHBondContact O-N 2.92Å; S350-I354 VanDerWaalsContact O-CG1 3.23Å; S350-I354 WeakPolarHBondContact O-CG1 3.29Å; S350-I354 PolarHBondContact O-N 2.95Å
351F44.1Very low43.8Very low119 Ų11990.4 Ų90.452%0.52245%0.451SS..Hα-helixtrans-73.7-41.5-177.7-75.9-68.4000113.8H347 R353 I354 F355H347-F351 HydrophobicContact CB-CE2 4.31Å; H347-F351 WeakPolarHBondContact O-CD2 3.4Å; H347-F351 PolarHBondContact O-N 3.43Å; H347-F351 VanDerWaalsContact O-N 3.14Å; F351-R353 PolarHBondContact O-N 3.16Å; F351-I354 HydrophobicContact CD1-CD1 4.24Å; F351-I354 PolarHBondContact O-N 3.09Å; F351-F355 PolarHBondContact O-N 3.47Å
352S43.3Very low44.5Very low40 Ų4085.6 Ų85.628%0.2843%0.43SS..Hα-helixtrans-61.7-37.5170.5174.60000110.5L348 L356L348-S352 PolarHBondContact O-N 3.03Å; S352-L356 VanDerWaalsContact O-CB 3.24Å; S352-L356 WeakPolarHBondContact O-CB 3.39Å; S352-L356 PolarHBondContact O-N 3.49Å
353R47.6Very low44.9Very low124 Ų12480 Ų8047%0.46840%0.402SS..Hα-helixtrans-68.4-34.3173.6-74.7170.7179.4-172.1-4.4113.7L349 S350 F351 A357L349-R353 VanDerWaalsContact O-CB 3.25Å; L349-R353 WeakPolarHBondContact O-CB 3.47Å; L349-R353 WeakPolarHBondContact O-CD 3.42Å; L349-R353 WeakPolarHBondContact O-CG 3.22Å; L349-R353 PolarHBondContact O-N 3.28Å; L349-R353 VanDerWaalsContact O-N 3.15Å; S350-R353 CarbonylContact O-C 3.48Å; S350-R353 WeakPolarHBondContact O-CB 3.47Å; S350-R353 PolarHBondContact O-N 2.92Å; F351-R353 PolarHBondContact O-N 3.16Å; R353-A357 WeakPolarHBondContact O-CA 3.37Å; R353-A357 WeakPolarHBondContact O-CB 3.43Å; R353-A357 PolarHBondContact O-N 2.95Å
354I49.3Very low45.5Very low90 Ų9073.9 Ų73.946%0.46238%0.384SS..Hα-helixtrans-68-48.4175.4-69.9159.5000109.6S350 F351 L356 A357 V358S350-I354 VanDerWaalsContact O-CG1 3.23Å; S350-I354 WeakPolarHBondContact O-CG1 3.29Å; S350-I354 PolarHBondContact O-N 2.95Å; F351-I354 HydrophobicContact CD1-CD1 4.24Å; F351-I354 PolarHBondContact O-N 3.09Å; I354-L356 VanDerWaalsContact C-N 3.33Å; I354-L356 PolarHBondContact O-N 2.88Å; I354-A357 PolarHBondContact O-N 3.13Å; I354-A357 VanDerWaalsContact O-N 3.16Å; I354-V358 HydrophobicContact CG2-CG2 4.41Å; I354-V358 WeakPolarHBondContact O-CB 3.24Å; I354-V358 VanDerWaalsContact O-CG2 3.22Å; I354-V358 WeakPolarHBondContact O-CG2 3.38Å; I354-V358 PolarHBondContact O-N 3.29Å
355F45.2Very low46.1Very low41 Ų4170.4 Ų70.418%0.1837%0.37CS..Hα-helixtrans-61.4-42.8176.2-173.1-99.6000111.6V174 F231 F351 V358 Q359V174-F355 HydrophobicContact CG1-CZ 3.79Å; F231-F355 HydrophobicContact CE1-CE1 4.12Å; F351-F355 PolarHBondContact O-N 3.47Å; F355-V358 PolarHBondContact O-N 3.43Å; F355-Q359 PolarHBondContact O-N 3.48Å
356L50Low46.3Very low59 Ų5968.8 Ų68.831%0.30936%0.364SS..Hα-helixtrans-65.6-38.4173.8-138.776.1000112.1A232 S352 I354 Q359 L360A232-L356 HydrophobicContact CB-CD1 3.45Å; A232-L356 VanDerWaalsContact CB-CD1 3.45Å; A232-L356 HydrophobicContact CB-CD2 4.19Å; A232-L356 HydrophobicContact CB-CG 4.38Å; S352-L356 VanDerWaalsContact O-CB 3.24Å; S352-L356 WeakPolarHBondContact O-CB 3.39Å; S352-L356 PolarHBondContact O-N 3.49Å; I354-L356 VanDerWaalsContact C-N 3.33Å; I354-L356 PolarHBondContact O-N 2.88Å; L356-Q359 PolarHBondContact O-N 3.26Å; L356-L360 HydrophobicContact CB-CD1 4.4Å; L356-L360 HydrophobicContact CD2-CD1 4.19Å; L356-L360 HydrophobicContact CG-CD1 4.14Å; L356-L360 WeakPolarHBondContact O-CA 3.29Å; L356-L360 WeakPolarHBondContact O-CB 3.5Å; L356-L360 VanDerWaalsContact O-CD1 3.29Å; L356-L360 WeakPolarHBondContact O-CD1 3.28Å; L356-L360 WeakPolarHBondContact O-CG 3.41Å; L356-L360 PolarHBondContact O-N 3.01Å
357A49.8Very low46.7Very low54 Ų5468 Ų6845%0.44635%0.354SS..Hα-helixtrans-68-36.5178.200000111.6R353 I354 R361R353-A357 WeakPolarHBondContact O-CA 3.37Å; R353-A357 WeakPolarHBondContact O-CB 3.43Å; R353-A357 PolarHBondContact O-N 2.95Å; I354-A357 PolarHBondContact O-N 3.13Å; I354-A357 VanDerWaalsContact O-N 3.16Å; A357-R361 WeakPolarHBondContact O-CB 3.41Å; A357-R361 PolarHBondContact O-N 3.4Å
358V51.9Low47Very low33 Ų3366.7 Ų66.720%0.235%0.351CS..Hα-helixtrans-65-42.1172.7174.20000110.3E88 I354 F355 R361 S362E88-V358 HydrophobicContact CB-CG1 4.33Å; E88-V358 HydrophobicContact CG-CG1 3.87Å; I354-V358 HydrophobicContact CG2-CG2 4.41Å; I354-V358 WeakPolarHBondContact O-CB 3.24Å; I354-V358 VanDerWaalsContact O-CG2 3.22Å; I354-V358 WeakPolarHBondContact O-CG2 3.38Å; I354-V358 PolarHBondContact O-N 3.29Å; F355-V358 PolarHBondContact O-N 3.43Å; V358-R361 WeakPolarHBondContact O-CB 3.33Å; V358-R361 PolarHBondContact O-N 3.45Å; V358-R361 VanDerWaalsContact O-N 3.13Å; V358-S362 PolarHBondContact O-N 3.06Å; V358-S362 PolarHBondContact O-OG 3.36Å
359Q50.3Low47.2Very low25 Ų2565.9 Ų65.912%0.11735%0.347CS..Hα-helixtrans-77.1-32.1178.6-111.255.9-16.700113.6F177 E178 F355 L356 R361 S362 C363F177-Q359 HydrophobicContact CE1-CG 3.65Å; F177-Q359 HydrophobicContact CZ-CG 4.48Å; E178-Q359 PolarHBondContact OE1-NE2 3.34Å; F355-Q359 PolarHBondContact O-N 3.48Å; L356-Q359 PolarHBondContact O-N 3.26Å; Q359-R361 PolarHBondContact O-N 3.49Å; Q359-S362 WeakPolarHBondContact CA-OG 3.43Å; Q359-S362 PolarHBondContact O-N 3.24Å; Q359-S362 PolarHBondContact O-OG 2.97Å; Q359-C363 PolarHBondContact O-N 3.29Å; Q359-C363 PolarHBondContact O-SG 2.97Å
360L50.7Low47.4Very low59 Ų5964.3 Ų64.331%0.30934%0.34SS..Hα-helixtrans-64.3-33166.6-82.2156000109.9L356 S362 C363 L364L356-L360 HydrophobicContact CB-CD1 4.4Å; L356-L360 HydrophobicContact CD2-CD1 4.19Å; L356-L360 HydrophobicContact CG-CD1 4.14Å; L356-L360 WeakPolarHBondContact O-CA 3.29Å; L356-L360 WeakPolarHBondContact O-CB 3.5Å; L356-L360 VanDerWaalsContact O-CD1 3.29Å; L356-L360 WeakPolarHBondContact O-CD1 3.28Å; L356-L360 WeakPolarHBondContact O-CG 3.41Å; L356-L360 PolarHBondContact O-N 3.01Å; L360-S362 VanDerWaalsContact C-N 3.29Å; L360-S362 PolarHBondContact O-N 3.45Å; L360-C363 CarbonylContact O-C 3.56Å; L360-C363 PolarHBondContact O-N 3.45Å; L360-L364 HydrophobicContact CB-CD1 3.88Å; L360-L364 HydrophobicContact CD2-CD1 4.11Å; L360-L364 WeakPolarHBondContact O-CA 3.35Å; L360-L364 VanDerWaalsContact O-CB 3.25Å; L360-L364 WeakPolarHBondContact O-CB 3.44Å; L360-L364 WeakPolarHBondContact O-CD1 3.28Å; L360-L364 PolarHBondContact O-N 3.15Å
361R53.9Low47.1Very low145 Ų14566.9 Ų66.955%0.54736%0.357SS..Hα-helixtrans-66-29.3176.8-151.8178.4-169.7-166.72.1113.3A357 V358 Q359 C363 P365A357-R361 WeakPolarHBondContact O-CB 3.41Å; A357-R361 PolarHBondContact O-N 3.4Å; V358-R361 WeakPolarHBondContact O-CB 3.33Å; V358-R361 PolarHBondContact O-N 3.45Å; V358-R361 VanDerWaalsContact O-N 3.13Å; Q359-R361 PolarHBondContact O-N 3.49Å; R361-C363 VanDerWaalsContact C-N 3.32Å; R361-P365 WeakPolarHBondContact O-CD 3.3Å
362S49.9Very low46.8Very low53 Ų5369.4 Ų69.437%0.37136%0.364SS..Hα-helixtrans-75.3-22.2171.513.10000112.4V358 Q359 L360V358-S362 PolarHBondContact O-N 3.06Å; V358-S362 PolarHBondContact O-OG 3.36Å; Q359-S362 WeakPolarHBondContact CA-OG 3.43Å; Q359-S362 PolarHBondContact O-N 3.24Å; Q359-S362 PolarHBondContact O-OG 2.97Å; L360-S362 VanDerWaalsContact C-N 3.29Å; L360-S362 PolarHBondContact O-N 3.45Å
363C47.7Very low46.7Very low3 Ų374.4 Ų74.42%0.0238%0.377CS..Hα-helixtrans-98.8-26.7179-56.40000114.1M224 L225 C228 Q359 L360 R361 P365 C366M224-C363 HydrophobicContact CE-CB 4.22Å; M224-C363 WeakPolarHBondContact CE-SG 3.49Å; M224-C363 HydrophobicContact SD-CB 4.25Å; L225-C363 HydrophobicContact CD2-CB 4.09Å; C228-C363 PolarHBondContact SG-SG 3.43Å; Q359-C363 PolarHBondContact O-N 3.29Å; Q359-C363 PolarHBondContact O-SG 2.97Å; L360-C363 CarbonylContact O-C 3.56Å; L360-C363 PolarHBondContact O-N 3.45Å; R361-C363 VanDerWaalsContact C-N 3.32Å; C363-P365 VanDerWaalsContact C-CD 3.44Å; C363-C366 WeakPolarHBondContact O-CB 3.43Å; C363-C366 PolarHBondContact O-N 3.26Å
364L48.8Very low46.3Very low72 Ų7271.8 Ų71.838%0.37739%0.388SS..Hα-helixtrans-63.7-34-174.3-116.281000114.3L360 C366 L367 L368L360-L364 HydrophobicContact CB-CD1 3.88Å; L360-L364 HydrophobicContact CD2-CD1 4.11Å; L360-L364 WeakPolarHBondContact O-CA 3.35Å; L360-L364 VanDerWaalsContact O-CB 3.25Å; L360-L364 WeakPolarHBondContact O-CB 3.44Å; L360-L364 WeakPolarHBondContact O-CD1 3.28Å; L360-L364 PolarHBondContact O-N 3.15Å; L364-C366 PolarHBondContact O-N 3.05Å; L364-L367 PolarHBondContact O-N 3.11Å; L364-L367 VanDerWaalsContact O-N 3.13Å; L364-L368 HydrophobicContact CD2-CD1 4.22Å; L364-L368 WeakPolarHBondContact O-CB 3.3Å; L364-L368 PolarHBondContact O-N 3.41Å
365P49.9Very low45.7Very low68 Ų6873.9 Ų73.944%0.44240%0.4SS..Hα-helixtrans-57.5-36.7175.6-26.134.3000111.8R361 C363 L369R361-P365 WeakPolarHBondContact O-CD 3.3Å; C363-P365 VanDerWaalsContact C-CD 3.44Å; P365-L369 VanDerWaalsContact O-CB 3.24Å; P365-L369 WeakPolarHBondContact O-CB 3.49Å; P365-L369 WeakPolarHBondContact O-CD1 3.41Å; P365-L369 WeakPolarHBondContact O-CG 3.46Å; P365-L369 PolarHBondContact O-N 2.92Å
366C41.8Very low45.1Very low42 Ų4281.1 Ų81.128%0.28443%0.431SS..Hα-helixtrans-67.8-39.3176.2-64.60000112.4C363 L364 V370C363-C366 WeakPolarHBondContact O-CB 3.43Å; C363-C366 PolarHBondContact O-N 3.26Å; L364-C366 PolarHBondContact O-N 3.05Å; C366-V370 WeakPolarHBondContact O-CG2 3.49Å; C366-V370 PolarHBondContact O-N 3.04Å
367L45.4Very low44.3Very low82 Ų8288.1 Ų88.143%0.42946%0.459SS..Hα-helixtrans-69.2-42.5175.6-88.1162.7000112.8L225 L364 V370 C371L225-L367 HydrophobicContact CD1-CD1 3.59Å; L225-L367 HydrophobicContact CD1-CD2 3.77Å; L225-L367 HydrophobicContact CD1-CG 3.71Å; L225-L367 HydrophobicContact CD2-CD1 3.57Å; L225-L367 HydrophobicContact CD2-CG 4.42Å; L225-L367 HydrophobicContact CG-CD1 4.16Å; L364-L367 PolarHBondContact O-N 3.11Å; L364-L367 VanDerWaalsContact O-N 3.13Å; L367-V370 PolarHBondContact O-N 3.39Å; L367-C371 PolarHBondContact O-N 3.05Å
368L44.8Very low43.5Very low98 Ų9891 Ų9151%0.51347%0.471SS..Hα-helixtrans-72.3-36.2-178.2-75.1166.6000111.7L364 Y372L364-L368 HydrophobicContact CD2-CD1 4.22Å; L364-L368 WeakPolarHBondContact O-CB 3.3Å; L364-L368 PolarHBondContact O-N 3.41Å; L368-Y372 WeakPolarHBondContact O-CB 3.4Å; L368-Y372 PolarHBondContact O-N 2.92Å; L368-Y372 VanDerWaalsContact O-N 3.13Å
369L42.9Very low42.3Very low55 Ų5598.8 Ų98.829%0.28851%0.505SS..Hα-helixtrans-66.9-34.6174.8-84.6159.2000113P365 Y372 R373 F384P365-L369 VanDerWaalsContact O-CB 3.24Å; P365-L369 WeakPolarHBondContact O-CB 3.49Å; P365-L369 WeakPolarHBondContact O-CD1 3.41Å; P365-L369 WeakPolarHBondContact O-CG 3.46Å; P365-L369 PolarHBondContact O-N 2.92Å; L369-Y372 PolarHBondContact O-N 3.11Å; L369-R373 WeakPolarHBondContact O-CB 3.49Å; L369-R373 PolarHBondContact O-N 3.37Å; L369-F384 HydrophobicContact CD2-CZ 4.22Å
370V44.8Very low41.3Very low46 Ų46106.2 Ų106.228%0.27954%0.537SS..Hα-helixtrans-70.4-39.3177.9169.60000111.9L218 C366 L367 Y372L218-V370 HydrophobicContact CB-CG2 4.48Å; L218-V370 HydrophobicContact CD1-CG1 3.73Å; L218-V370 HydrophobicContact CD1-CG2 4.22Å; C366-V370 WeakPolarHBondContact O-CG2 3.49Å; C366-V370 PolarHBondContact O-N 3.04Å; L367-V370 PolarHBondContact O-N 3.39Å; V370-Y372 VanDerWaalsContact C-N 3.35Å
371C36.5Very low40.2Very low97 Ų97110.4 Ų110.466%0.65556%0.56SS**Hα-helixtrans-69.7-30.2172.7-87.40000113L367L367-C371 PolarHBondContact O-N 3.05Å
372Y37.5Very low39Very low172 Ų172111.3 Ų111.368%0.67557%0.568SS**Hα-helixtrans-89.6-31-172.9-109.4-103.2000115.1L368 L369 V370 G374 L375L368-Y372 WeakPolarHBondContact O-CB 3.4Å; L368-Y372 PolarHBondContact O-N 2.92Å; L368-Y372 VanDerWaalsContact O-N 3.13Å; L369-Y372 PolarHBondContact O-N 3.11Å; V370-Y372 VanDerWaalsContact C-N 3.35Å; Y372-G374 VanDerWaalsContact C-N 3.26Å; Y372-G374 PolarHBondContact O-N 2.82Å; Y372-L375 PolarHBondContact O-N 3.43Å
373R41.6Very low37.9Very low144 Ų144116.7 Ų116.754%0.54359%0.592SS.*THydrogen-bonded Turntrans-73.6-13.1-176.8-82-177.6165170.2-4.3114.5E217 L369E217-R373 IonicContact OE2-NH1 2.76Å; E217-R373 PolarHBondContact OE2-NH1 3.06Å; L369-R373 WeakPolarHBondContact O-CB 3.49Å; L369-R373 PolarHBondContact O-N 3.37Å
374G39.9Very low37.2Very low69 Ų69122.4 Ų122.471%0.71162%0.616SS**THydrogen-bonded Turntrans-81.1-7.717400000115.6Y372Y372-G374 VanDerWaalsContact C-N 3.26Å; Y372-G374 PolarHBondContact O-N 2.82Å
375L36.7Very low36.4Very low134 Ų134127.5 Ų127.570%0.70264%0.636SS**  trans-109.152.2-176.6-79151.8000111.8Y372 K377Y372-L375 PolarHBondContact O-N 3.43Å; L375-K377 VanDerWaalsContact C-N 3.34Å; L375-K377 PolarHBondContact O-N 3.18Å
376K32.4Very low35.4Very low193 Ų193133.5 Ų133.584%0.83966%0.655SS**THydrogen-bonded Turntrans-74.282170.6-83.2-173175.1-178.10110.6
377K34Very low35.4Very low206 Ų206134.3 Ų134.390%0.89666%0.659SS**THydrogen-bonded Turntrans-168.75.8155.9-111.9172.3-170.7-175.40117L375L375-K377 VanDerWaalsContact C-N 3.34Å; L375-K377 PolarHBondContact O-N 3.18Å
378V31.6Very low34.9Very low114 Ų114137.5 Ų137.569%0.69168%0.675SS**  trans-111.2115.5175.5-171.50000109.3F380V378-F380 VanDerWaalsContact C-N 3.3Å; V378-F380 HydrophobicContact CG1-CD2 4.39Å; V378-F380 PolarHBondContact O-N 2.96Å
379H28.4Very low34.7Very low198 Ų198138.1 Ų138.192%0.91769%0.685SS**  trans-62.491.4169.6-124.7-102.9000108
380F27.6Very low34.8Very low180 Ų180144 Ų14479%0.78971%0.709SS**  trans-122.9121.6171.6-134.6-93.9000109V378 F382V378-F380 VanDerWaalsContact C-N 3.3Å; V378-F380 HydrophobicContact CG1-CD2 4.39Å; V378-F380 PolarHBondContact O-N 2.96Å; F380-F382 PolarHBondContact O-N 3.37Å
381N28.1Very low35Very low147 Ų147147.3 Ų147.379%0.78673%0.731SS**  trans-53.5122.3178.9-88.4-26.6000110.1L383N381-L383 VanDerWaalsContact C-N 3.26Å; N381-L383 PolarHBondContact O-N 2.85Å
382F28.1Very low35.6Very low164 Ų164147.4 Ų147.472%0.71973%0.733SS**  trans-67.778.7178.9-129.5-110.1000109.8F380 F384F380-F382 PolarHBondContact O-N 3.37Å; F382-F384 HydrophobicContact CD1-CB 4.07Å; F382-F384 AromaticContact CD1-CD2 3.14Å; F382-F384 HydrophobicContact CD1-CD2 3.14Å; F382-F384 AromaticContact CD1-CE2 3.73Å; F382-F384 HydrophobicContact CD1-CE2 3.73Å; F382-F384 AromaticContact CD1-CG 3.83Å; F382-F384 HydrophobicContact CD1-CG 3.83Å; F382-F384 HydrophobicContact CD2-CD2 4.34Å; F382-F384 HydrophobicContact CD2-CE2 4.43Å; F382-F384 HydrophobicContact CE1-CB 4.41Å; F382-F384 HydrophobicContact CE1-CD1 4.43Å; F382-F384 AromaticContact CE1-CD2 2.96Å; F382-F384 HydrophobicContact CE1-CD2 2.96Å; F382-F384 HydrophobicContact CE1-CE1 4.49Å; F382-F384 AromaticContact CE1-CE2 3.05Å; F382-F384 HydrophobicContact CE1-CE2 3.05Å; F382-F384 AromaticContact CE1-CG 3.71Å; F382-F384 HydrophobicContact CE1-CG 3.71Å; F382-F384 AromaticContact CE1-CZ 3.86Å; F382-F384 HydrophobicContact CE1-CZ 3.86Å; F382-F384 HydrophobicContact CE2-CD2 4.19Å; F382-F384 AromaticContact CE2-CE2 3.86Å; F382-F384 HydrophobicContact CE2-CE2 3.86Å; F382-F384 AromaticContact CG-CD2 3.87Å; F382-F384 HydrophobicContact CG-CD2 3.87Å; F382-F384 HydrophobicContact CG-CE2 4.38Å; F382-F384 AromaticContact CZ-CD2 3.54Å; F382-F384 HydrophobicContact CZ-CD2 3.54Å; F382-F384 AromaticContact CZ-CE2 3.12Å; F382-F384 HydrophobicContact CZ-CE2 3.12Å; F382-F384 AromaticContact CZ-CZ 3.93Å; F382-F384 HydrophobicContact CZ-CZ 3.93Å; F382-F384 PolarHBondContact O-N 3.16Å
383L28.1Very low36.5Very low167 Ų167144.5 Ų144.587%0.87474%0.735SS**  trans-85.168.6159.7-78.9166.1000107.8N381 F385N381-L383 VanDerWaalsContact C-N 3.26Å; N381-L383 PolarHBondContact O-N 2.85Å; L383-F385 PolarHBondContact O-N 3.18Å
384F33Very low37.4Very low122 Ų122141.9 Ų141.954%0.53574%0.737SS.*  trans-65.3103.7169.4-114.3-110.1000108.2L369 F382 K386L369-F384 HydrophobicContact CD2-CZ 4.22Å; F382-F384 HydrophobicContact CD1-CB 4.07Å; F382-F384 AromaticContact CD1-CD2 3.14Å; F382-F384 HydrophobicContact CD1-CD2 3.14Å; F382-F384 AromaticContact CD1-CE2 3.73Å; F382-F384 HydrophobicContact CD1-CE2 3.73Å; F382-F384 AromaticContact CD1-CG 3.83Å; F382-F384 HydrophobicContact CD1-CG 3.83Å; F382-F384 HydrophobicContact CD2-CD2 4.34Å; F382-F384 HydrophobicContact CD2-CE2 4.43Å; F382-F384 HydrophobicContact CE1-CB 4.41Å; F382-F384 HydrophobicContact CE1-CD1 4.43Å; F382-F384 AromaticContact CE1-CD2 2.96Å; F382-F384 HydrophobicContact CE1-CD2 2.96Å; F382-F384 HydrophobicContact CE1-CE1 4.49Å; F382-F384 AromaticContact CE1-CE2 3.05Å; F382-F384 HydrophobicContact CE1-CE2 3.05Å; F382-F384 AromaticContact CE1-CG 3.71Å; F382-F384 HydrophobicContact CE1-CG 3.71Å; F382-F384 AromaticContact CE1-CZ 3.86Å; F382-F384 HydrophobicContact CE1-CZ 3.86Å; F382-F384 HydrophobicContact CE2-CD2 4.19Å; F382-F384 AromaticContact CE2-CE2 3.86Å; F382-F384 HydrophobicContact CE2-CE2 3.86Å; F382-F384 AromaticContact CG-CD2 3.87Å; F382-F384 HydrophobicContact CG-CD2 3.87Å; F382-F384 HydrophobicContact CG-CE2 4.38Å; F382-F384 AromaticContact CZ-CD2 3.54Å; F382-F384 HydrophobicContact CZ-CD2 3.54Å; F382-F384 AromaticContact CZ-CE2 3.12Å; F382-F384 HydrophobicContact CZ-CE2 3.12Å; F382-F384 AromaticContact CZ-CZ 3.93Å; F382-F384 HydrophobicContact CZ-CZ 3.93Å; F382-F384 PolarHBondContact O-N 3.16Å; F384-K386 VanDerWaalsContact C-N 3.28Å; F384-K386 PolarHBondContact O-N 3.24Å
385F32.2Very low38.6Very low180 Ų180144.7 Ų144.779%0.78974%0.736SS**  trans19.258.8153.9-92.4-90.2000116.6L383 V387L383-F385 PolarHBondContact O-N 3.18Å; F385-V387 HydrophobicContact CD1-CG2 3.83Å; F385-V387 HydrophobicContact CE1-CG2 4.39Å; F385-V387 PolarHBondContact O-N 2.99Å; F385-V387 VanDerWaalsContact O-N 3.1Å
386K28.5Very low40.2Very low194 Ų194143.7 Ų143.784%0.84373%0.726SS**  -64.399.8129.2-83-175.6176179.80103.4F384 L388F384-K386 VanDerWaalsContact C-N 3.28Å; F384-K386 PolarHBondContact O-N 3.24Å; K386-L388 PolarHBondContact O-N 3.38Å
387V42.4Very low42.1Very low59 Ų59140.6 Ų140.636%0.35872%0.723SS.*  trans-51.9103.2152.6175.30000102.8F385 F390F385-V387 HydrophobicContact CD1-CG2 3.83Å; F385-V387 HydrophobicContact CE1-CG2 4.39Å; F385-V387 PolarHBondContact O-N 2.99Å; F385-V387 VanDerWaalsContact O-N 3.1Å; V387-F390 HydrophobicContact CG1-CD2 4.33Å; V387-F390 HydrophobicContact CG1-CE2 4.22Å
388L33.3Very low44Very low148 Ų148134.3 Ų134.378%0.77572%0.717SS**  trans-44.1121.6165.3-79.9162.1000103.6K386 F390K386-L388 PolarHBondContact O-N 3.38Å; L388-F390 PolarHBondContact O-N 3.33Å
389P42.2Very low46.2Very low112 Ų112131.9 Ų131.973%0.72770%0.699SS**PPolyproline II helixtrans-46.8124.4-179.818.9-30.3000105.6
390F44.5Very low48.8Very low177 Ų177126.3 Ų126.378%0.77668%0.679SS**PPolyproline II helixtrans-46.1124.4172.8-84.1-86.2000104.9V387 L388 S392V387-F390 HydrophobicContact CG1-CD2 4.33Å; V387-F390 HydrophobicContact CG1-CE2 4.22Å; L388-F390 PolarHBondContact O-N 3.33Å; F390-S392 PolarHBondContact O-N 2.93Å
391P48.4Very low51.2Low116 Ų116124.3 Ų124.375%0.75368%0.677SS**PPolyproline II helixtrans-49.3119179.819.3-30.7000105.4
392S50.4Low53.7Low100 Ų100122.2 Ų122.270%0.69966%0.663SS**PPolyproline II helixtrans-50.5132.3179.943.90000106.1F390F390-S392 PolarHBondContact O-N 2.93Å
393P56.3Low56.1Low110 Ų110118.3 Ų118.371%0.71465%0.647SS**PPolyproline II helixtrans-49.8133.1176.921.8-31.9000107.1N395P393-N395 PolarHBondContact O-N 3.47Å
394P60.5Low58.2Low90 Ų90112.9 Ų112.958%0.58462%0.62SS**PPolyproline II helixtrans-49123.2-17916.1-28.7000108.5F396P394-F396 HydrophobicContact CB-CE1 4.03Å; P394-F396 HydrophobicContact CB-CZ 4.04Å; P394-F396 HydrophobicContact CG-CE1 4.04Å; P394-F396 HydrophobicContact CG-CE2 4.2Å; P394-F396 HydrophobicContact CG-CZ 3.58Å; P394-F396 WeakPolarHBondContact O-CD2 3.2Å; P394-F396 WeakPolarHBondContact O-CE2 3.37Å; P394-F396 PolarHBondContact O-N 2.91Å
395N63.3Low60.1Low127 Ų127115 Ų11568%0.67963%0.625SS**  trans-78.7109.2-178.2-171.80.4000107.7P393 V397P393-N395 PolarHBondContact O-N 3.47Å; N395-V397 VanDerWaalsContact C-N 3.27Å; N395-V397 VanDerWaalsContact OD1-CB 3.28Å; N395-V397 WeakPolarHBondContact OD1-CB 3.05Å; N395-V397 WeakPolarHBondContact OD1-CG2 3.45Å; N395-V397 PolarHBondContact OD1-N 3.35Å; N395-V397 VanDerWaalsContact OD1-N 3.11Å
396F70.8Confident62Low114 Ų114113.1 Ų113.150%0.562%0.618SS.*  trans-84.7-0.5179.8-53.5-68.8000113P394 G398 L399 M407P394-F396 HydrophobicContact CB-CE1 4.03Å; P394-F396 HydrophobicContact CB-CZ 4.04Å; P394-F396 HydrophobicContact CG-CE1 4.04Å; P394-F396 HydrophobicContact CG-CE2 4.2Å; P394-F396 HydrophobicContact CG-CZ 3.58Å; P394-F396 WeakPolarHBondContact O-CD2 3.2Å; P394-F396 WeakPolarHBondContact O-CE2 3.37Å; P394-F396 PolarHBondContact O-N 2.91Å; F396-G398 PolarHBondContact O-N 3.47Å; F396-L399 PolarHBondContact O-N 3.49Å; F396-M407 HydrophobicContact CD1-CE 3.85Å; F396-M407 HydrophobicContact CE1-CE 4.17Å
397V73.1Confident63.9Low127 Ų127108.7 Ų108.777%0.7760%0.602SS**THydrogen-bonded Turntrans-67.5116.6178.8178.10000109.8N395N395-V397 VanDerWaalsContact C-N 3.27Å; N395-V397 VanDerWaalsContact OD1-CB 3.28Å; N395-V397 WeakPolarHBondContact OD1-CB 3.05Å; N395-V397 WeakPolarHBondContact OD1-CG2 3.45Å; N395-V397 PolarHBondContact OD1-N 3.35Å; N395-V397 VanDerWaalsContact OD1-N 3.11Å
398G74.2Confident65.1Low75 Ų75111.4 Ų111.477%0.77361%0.61SS**THydrogen-bonded Turntrans114.2-13.2-179.300000114.1F396F396-G398 PolarHBondContact O-N 3.47Å
399L77.7Confident66.7Low62 Ų62105.4 Ų105.433%0.32558%0.584SS.*  trans-82.6138.2169.9-72110000110.5F396 E403 V404 M407F396-L399 PolarHBondContact O-N 3.49Å; L399-E403 WeakPolarHBondContact CA-OE2 3.3Å; L399-E403 HydrophobicContact CB-CB 4.13Å; L399-E403 HydrophobicContact CD2-CB 3.51Å; L399-E403 HydrophobicContact CD2-CG 4.41Å; L399-E403 HydrophobicContact CG-CB 4.35Å; L399-V404 HydrophobicContact CB-CG2 3.93Å; L399-M407 HydrophobicContact CD1-CE 4.11Å; L399-M407 HydrophobicContact CD2-CE 3.44Å; L399-M407 VanDerWaalsContact CD2-CE 3.44Å; L399-M407 HydrophobicContact CD2-SD 3.92Å; L399-M407 HydrophobicContact CG-CE 4.25Å
400T81.5Confident68.1Low81 Ų81107.2 Ų107.250%0.49759%0.593SS.*  trans-67.5154.3167.859.30000110.3E402 E403 V404T400-E402 PolarHBondContact O-N 2.96Å; T400-E403 PolarHBondContact N-OE2 3.2Å; T400-E403 PolarHBondContact O-N 3.2Å; T400-E403 VanDerWaalsContact OG1-CG 3.3Å; T400-E403 WeakPolarHBondContact OG1-CG 3.21Å; T400-E403 PolarHBondContact OG1-N 3.01Å; T400-E403 PolarHBondContact OG1-OE2 3.38Å; T400-V404 PolarHBondContact O-N 3.01Å
401D79.2Confident69.6Low138 Ų138105.6 Ų105.674%0.73859%0.588SS**Hα-helixtrans-55-29.1177.8-73-29.5000112.6R405D401-R405 WeakPolarHBondContact O-CG 3.44Å; D401-R405 PolarHBondContact O-N 3.13Å
402E80.5Confident71.2Confident104 Ų104109.4 Ų109.449%0.48659%0.587SS.*Hα-helixtrans-70.8-42.1176.9-169.857.9-155.700112.1T400 V404 R405 Q406T400-E402 PolarHBondContact O-N 2.96Å; E402-V404 VanDerWaalsContact C-N 3.32Å; E402-V404 PolarHBondContact O-N 2.95Å; E402-R405 WeakPolarHBondContact O-CB 3.43Å; E402-R405 PolarHBondContact O-N 2.91Å; E402-Q406 WeakPolarHBondContact O-CG 3.4Å; E402-Q406 PolarHBondContact O-N 3.42Å
403E77.5Confident72.7Confident82 Ų82107.4 Ų107.438%0.38358%0.577SS.*Hα-helixtrans-67.3-35.7175.5-67.4164.7132.200111.4L399 T400 R405 Q406 M407L399-E403 WeakPolarHBondContact CA-OE2 3.3Å; L399-E403 HydrophobicContact CB-CB 4.13Å; L399-E403 HydrophobicContact CD2-CB 3.51Å; L399-E403 HydrophobicContact CD2-CG 4.41Å; L399-E403 HydrophobicContact CG-CB 4.35Å; T400-E403 PolarHBondContact N-OE2 3.2Å; T400-E403 PolarHBondContact O-N 3.2Å; T400-E403 VanDerWaalsContact OG1-CG 3.3Å; T400-E403 WeakPolarHBondContact OG1-CG 3.21Å; T400-E403 PolarHBondContact OG1-N 3.01Å; T400-E403 PolarHBondContact OG1-OE2 3.38Å; E403-R405 VanDerWaalsContact C-N 3.35Å; E403-Q406 PolarHBondContact O-N 3.28Å; E403-M407 WeakPolarHBondContact O-CG 3.36Å; E403-M407 PolarHBondContact O-N 3.42Å
404V73Confident73.6Confident52 Ų52104.2 Ų104.232%0.31556%0.557SS.*Hα-helixtrans-63-41.8172.7178.10000111.1L399 T400 E402 M407 E408L399-V404 HydrophobicContact CB-CG2 3.93Å; T400-V404 PolarHBondContact O-N 3.01Å; E402-V404 VanDerWaalsContact C-N 3.32Å; E402-V404 PolarHBondContact O-N 2.95Å; V404-M407 HydrophobicContact CG2-CE 4.22Å; V404-M407 PolarHBondContact O-N 3.24Å; V404-E408 PolarHBondContact O-N 3.45Å
405R72Confident74.5Confident168 Ų168103.2 Ų103.263%0.63455%0.549SS*.Hα-helixtrans-64.7-40.4174.3-79.9178.7177.3164.41.7112.8D401 E402 E403 M407 E408 G409D401-R405 WeakPolarHBondContact O-CG 3.44Å; D401-R405 PolarHBondContact O-N 3.13Å; E402-R405 WeakPolarHBondContact O-CB 3.43Å; E402-R405 PolarHBondContact O-N 2.91Å; E403-R405 VanDerWaalsContact C-N 3.35Å; R405-M407 VanDerWaalsContact C-N 3.31Å; R405-M407 PolarHBondContact O-N 3.29Å; R405-E408 PolarHBondContact O-N 3.49Å; R405-G409 PolarHBondContact O-N 3.23Å
406Q73.5Confident75.4Confident140 Ų140101 Ų10165%0.65454%0.535SS*.Hα-helixtrans-62.9-39175.4-73.9-178.67.400111.6E402 E403 G409E402-Q406 WeakPolarHBondContact O-CG 3.4Å; E402-Q406 PolarHBondContact O-N 3.42Å; E403-Q406 PolarHBondContact O-N 3.28Å; Q406-G409 PolarHBondContact O-N 3.48Å
407M67.4Low75.8Confident101 Ų10198 Ų9850%0.49853%0.531SS..Hα-helixtrans-70.8-37.5175.3-73.1-171.2-59.200113.7F396 L399 E403 V404 R405 G409F396-M407 HydrophobicContact CD1-CE 3.85Å; F396-M407 HydrophobicContact CE1-CE 4.17Å; L399-M407 HydrophobicContact CD1-CE 4.11Å; L399-M407 HydrophobicContact CD2-CE 3.44Å; L399-M407 VanDerWaalsContact CD2-CE 3.44Å; L399-M407 HydrophobicContact CD2-SD 3.92Å; L399-M407 HydrophobicContact CG-CE 4.25Å; E403-M407 WeakPolarHBondContact O-CG 3.36Å; E403-M407 PolarHBondContact O-N 3.42Å; V404-M407 HydrophobicContact CG2-CE 4.22Å; V404-M407 PolarHBondContact O-N 3.24Å; R405-M407 VanDerWaalsContact C-N 3.31Å; R405-M407 PolarHBondContact O-N 3.29Å; M407-G409 PolarHBondContact O-N 3.14Å
408E68.2Low76.1Confident115 Ų11598.2 Ų98.254%0.53752%0.518SS..Hα-helixtrans-61.5-33.8175.9-166.1172.2-168.600110V404 R405 S414 R418V404-E408 PolarHBondContact O-N 3.45Å; R405-E408 PolarHBondContact O-N 3.49Å; E408-S414 WeakPolarHBondContact O-CB 3.39Å; E408-S414 PolarHBondContact O-OG 3.37Å; E408-R418 IonicContact OE1-NH1 3.77Å; E408-R418 PolarHBondContact OE1-NH1 3.31Å; E408-R418 VanDerWaalsContact OE1-NH1 3.13Å
409G67.4Low76.5Confident22 Ų2297.8 Ų97.823%0.22750%0.5CS..  trans66.6132.5-179.100000111.1R405 Q406 M407 E411R405-G409 PolarHBondContact O-N 3.23Å; Q406-G409 PolarHBondContact O-N 3.48Å; M407-G409 PolarHBondContact O-N 3.14Å; G409-E411 PolarHBondContact O-N 3.3Å
410V69.7Low76.9Confident150 Ų150101.9 Ų101.991%0.90951%0.511SS*.SBendtrans-85-6.8179.2-163.80000111.2
411E76.5Confident76.7Confident143 Ų143100.4 Ų100.467%0.66851%0.507SS*.SBendtrans-76.4148.1-175-61.5-172.217100112.7G409 A413 S414G409-E411 PolarHBondContact O-N 3.3Å; E411-A413 PolarHBondContact O-N 2.89Å; E411-A413 VanDerWaalsContact O-N 3.11Å; E411-S414 WeakPolarHBondContact O-CB 3.46Å; E411-S414 PolarHBondContact O-N 3.5Å
412R82.2Confident76.8Confident196 Ų19699 Ų9974%0.7450%0.499SS*.Hα-helixtrans-51.6-35.2174.3178.2177.4168.2173.5-2.2112.6S414 V415 E416R412-S414 VanDerWaalsContact C-N 3.32Å; R412-S414 PolarHBondContact O-N 2.87Å; R412-V415 PolarHBondContact O-N 3.4Å; R412-E416 HydrophobicContact CG-CG 4.27Å; R412-E416 IonicContact CZ-OE1 3.77Å; R412-E416 IonicContact NE-OE1 2.67Å; R412-E416 PolarHBondContact NE-OE1 3.34Å; R412-E416 IonicContact NH2-OE1 2.82Å; R412-E416 PolarHBondContact NH2-OE1 2.98Å; R412-E416 WeakPolarHBondContact O-CG 3.34Å; R412-E416 PolarHBondContact O-N 3.02Å
413A82.6Confident77.1Confident59 Ų59102.6 Ų102.649%0.48851%0.508SS..Hα-helixtrans-58.2-40.2177.700000113E411 E416 A417E411-A413 PolarHBondContact O-N 2.89Å; E411-A413 VanDerWaalsContact O-N 3.11Å; A413-E416 PolarHBondContact O-N 2.75Å; A413-A417 WeakPolarHBondContact O-CB 3.47Å; A413-A417 PolarHBondContact O-N 3.33Å
414S75.2Confident77.1Confident42 Ų42103 Ų10329%0.29451%0.513SS..Hα-helixtrans-65.9-43.8178.2-62.40000112.2E408 E411 R412 A417 R418E408-S414 WeakPolarHBondContact O-CB 3.39Å; E408-S414 PolarHBondContact O-OG 3.37Å; E411-S414 WeakPolarHBondContact O-CB 3.46Å; E411-S414 PolarHBondContact O-N 3.5Å; R412-S414 VanDerWaalsContact C-N 3.32Å; R412-S414 PolarHBondContact O-N 2.87Å; S414-A417 PolarHBondContact O-N 3.33Å; S414-R418 PolarHBondContact O-N 3.43Å
415V78.3Confident77.4Confident70 Ų70105 Ų10542%0.42452%0.521SS..Hα-helixtrans-64.9-42.5176.9-179.70000110.7R412 A417 R418 V419R412-V415 PolarHBondContact O-N 3.4Å; V415-A417 VanDerWaalsContact C-N 3.34Å; V415-A417 PolarHBondContact O-N 3.24Å; V415-R418 PolarHBondContact O-N 2.92Å; V415-V419 HydrophobicContact CG1-CG2 4.43Å; V415-V419 WeakPolarHBondContact O-CG2 3.41Å; V415-V419 PolarHBondContact O-N 3.46Å
416E83.5Confident77.9Confident81 Ų8199.8 Ų99.838%0.37951%0.51SS..Hα-helixtrans-61.5-40.3176-75.1-177.1-178.400112.2R412 A413 V419 R420R412-E416 HydrophobicContact CG-CG 4.27Å; R412-E416 IonicContact CZ-OE1 3.77Å; R412-E416 IonicContact NE-OE1 2.67Å; R412-E416 PolarHBondContact NE-OE1 3.34Å; R412-E416 IonicContact NH2-OE1 2.82Å; R412-E416 PolarHBondContact NH2-OE1 2.98Å; R412-E416 WeakPolarHBondContact O-CG 3.34Å; R412-E416 PolarHBondContact O-N 3.02Å; A413-E416 PolarHBondContact O-N 2.75Å; E416-V419 PolarHBondContact O-N 3.06Å; E416-R420 VanDerWaalsContact O-CB 3.29Å; E416-R420 WeakPolarHBondContact O-CB 3.24Å; E416-R420 PolarHBondContact O-N 3.42Å
417A78.5Confident78.4Confident49 Ų4997 Ų9741%0.40550%0.503SS..Hα-helixtrans-62.8-44.2175.300000112.1A413 S414 V415 R420 A421A413-A417 WeakPolarHBondContact O-CB 3.47Å; A413-A417 PolarHBondContact O-N 3.33Å; S414-A417 PolarHBondContact O-N 3.33Å; V415-A417 VanDerWaalsContact C-N 3.34Å; V415-A417 PolarHBondContact O-N 3.24Å; A417-R420 PolarHBondContact O-N 3.19Å; A417-A421 PolarHBondContact O-N 3.46Å
418R79.2Confident78.8Confident132 Ų13298.1 Ų98.150%0.49851%0.511SS..Hα-helixtrans-62.3-46176.4-176.7170.166.7-174.9-3.6112.1E408 S414 V415 R420 A421 L422E408-R418 IonicContact OE1-NH1 3.77Å; E408-R418 PolarHBondContact OE1-NH1 3.31Å; E408-R418 VanDerWaalsContact OE1-NH1 3.13Å; S414-R418 PolarHBondContact O-N 3.43Å; V415-R418 PolarHBondContact O-N 2.92Å; R418-R420 VanDerWaalsContact C-N 3.32Å; R418-R420 PolarHBondContact O-N 3.17Å; R418-A421 PolarHBondContact O-N 2.96Å; R418-L422 HydrophobicContact CG-CD1 4.26Å; R418-L422 WeakPolarHBondContact O-CG 3.39Å; R418-L422 PolarHBondContact O-N 3.3Å
419V84.1Confident79.1Confident66 Ų6697.8 Ų97.840%0.451%0.512SS..Hα-helixtrans-64.1-39.6177.9173.60000110.9V415 E416 L422 R423V415-V419 HydrophobicContact CG1-CG2 4.43Å; V415-V419 WeakPolarHBondContact O-CG2 3.41Å; V415-V419 PolarHBondContact O-N 3.46Å; E416-V419 PolarHBondContact O-N 3.06Å; V419-L422 PolarHBondContact O-N 2.97Å; V419-R423 WeakPolarHBondContact O-CB 3.22Å; V419-R423 PolarHBondContact O-N 3.4Å
420R84.7Confident79.8Confident148 Ų148100.8 Ų100.856%0.55852%0.522SS*.Hα-helixtrans-62.4-44.4174.9-169.8-178.5-66.1117.70.8111.5E416 A417 R418 R423 N424E416-R420 VanDerWaalsContact O-CB 3.29Å; E416-R420 WeakPolarHBondContact O-CB 3.24Å; E416-R420 PolarHBondContact O-N 3.42Å; A417-R420 PolarHBondContact O-N 3.19Å; R418-R420 VanDerWaalsContact C-N 3.32Å; R418-R420 PolarHBondContact O-N 3.17Å; R420-R423 PolarHBondContact O-N 2.95Å; R420-N424 VanDerWaalsContact O-CG 3.27Å; R420-N424 PolarHBondContact O-N 2.86Å; R420-N424 PolarHBondContact O-OD1 3.41Å
421A78.1Confident80.1Confident51 Ų5196.3 Ų96.342%0.42150%0.502SS..Hα-helixtrans-61.9-46.5176.200000112.2A417 R418 R423 N424 I425A417-A421 PolarHBondContact O-N 3.46Å; R418-A421 PolarHBondContact O-N 2.96Å; A421-R423 PolarHBondContact O-N 2.74Å; A421-N424 PolarHBondContact O-N 3.31Å; A421-I425 WeakPolarHBondContact O-CG1 3.31Å; A421-I425 PolarHBondContact O-N 3.12Å
422L81.9Confident79.9Confident108 Ų10891.7 Ų91.757%0.56549%0.487SS*.Hα-helixtrans-63.3-39.1177.2-72.3171.7000112.4R418 V419 I425 S426R418-L422 HydrophobicContact CG-CD1 4.26Å; R418-L422 WeakPolarHBondContact O-CG 3.39Å; R418-L422 PolarHBondContact O-N 3.3Å; V419-L422 PolarHBondContact O-N 2.97Å; L422-I425 PolarHBondContact O-N 3.31Å; L422-S426 PolarHBondContact O-N 3.34Å
423R85Confident79.8Confident179 Ų17985.3 Ų85.368%0.67547%0.468SS*.Hα-helixtrans-62.3-43.5173-82.5-174.4-178.1171.92111.7V419 R420 A421 I425 S426 T427V419-R423 WeakPolarHBondContact O-CB 3.22Å; V419-R423 PolarHBondContact O-N 3.4Å; R420-R423 PolarHBondContact O-N 2.95Å; A421-R423 PolarHBondContact O-N 2.74Å; R423-I425 VanDerWaalsContact C-N 3.31Å; R423-I425 PolarHBondContact O-N 2.9Å; R423-S426 WeakPolarHBondContact O-CB 3.42Å; R423-S426 PolarHBondContact O-N 3.32Å; R423-T427 WeakPolarHBondContact O-CG2 3.41Å; R423-T427 PolarHBondContact O-N 3.38Å; R423-T427 PolarHBondContact O-OG1 3.28Å
424N78.8Confident79.7Confident91 Ų9186 Ų8649%0.48747%0.466SS..Hα-helixtrans-62.8-38.1176.7-70.1-8.4000112.1R420 A421 T427 L428R420-N424 VanDerWaalsContact O-CG 3.27Å; R420-N424 PolarHBondContact O-N 2.86Å; R420-N424 PolarHBondContact O-OD1 3.41Å; A421-N424 PolarHBondContact O-N 3.31Å; N424-T427 WeakPolarHBondContact CA-OG1 3.45Å; N424-T427 PolarHBondContact O-OG1 2.99Å; N424-L428 VanDerWaalsContact O-CG 3.26Å; N424-L428 WeakPolarHBondContact O-CG 3.3Å; N424-L428 PolarHBondContact O-N 2.93Å; N424-L428 VanDerWaalsContact O-N 3.12Å
425I78.3Confident79.7Confident95 Ų9588.7 Ų88.749%0.48747%0.474SS..Hα-helixtrans-65.9-43.4174.2-66.1167.9000110.4A421 L422 R423 L428 L429A421-I425 WeakPolarHBondContact O-CG1 3.31Å; A421-I425 PolarHBondContact O-N 3.12Å; L422-I425 PolarHBondContact O-N 3.31Å; R423-I425 VanDerWaalsContact C-N 3.31Å; R423-I425 PolarHBondContact O-N 2.9Å; I425-L428 PolarHBondContact O-N 3.35Å; I425-L429 HydrophobicContact CG2-CD1 3.98Å; I425-L429 WeakPolarHBondContact O-CG 3.38Å; I425-L429 PolarHBondContact O-N 2.91Å
426S83.8Confident79.6Confident58 Ų5889.7 Ų89.741%0.40648%0.476SS..Hα-helixtrans-60.8-45176.7-167.70000112L422 R423 L428 L429 D430L422-S426 PolarHBondContact O-N 3.34Å; R423-S426 WeakPolarHBondContact O-CB 3.42Å; R423-S426 PolarHBondContact O-N 3.32Å; S426-L428 VanDerWaalsContact C-N 3.34Å; S426-L428 PolarHBondContact O-N 2.92Å; S426-L429 PolarHBondContact O-N 3.31Å; S426-D430 WeakPolarHBondContact O-CB 3.39Å; S426-D430 VanDerWaalsContact O-CG 3.32Å; S426-D430 PolarHBondContact O-N 2.66Å
427T82.3Confident79.4Confident82 Ų8292 Ų9250%0.50349%0.487SS..Hα-helixtrans-64.8-38179.552.10000112.1R423 N424 D430 A431R423-T427 WeakPolarHBondContact O-CG2 3.41Å; R423-T427 PolarHBondContact O-N 3.38Å; R423-T427 PolarHBondContact O-OG1 3.28Å; N424-T427 WeakPolarHBondContact CA-OG1 3.45Å; N424-T427 PolarHBondContact O-OG1 2.99Å; T427-D430 PolarHBondContact O-N 3.35Å; T427-A431 WeakPolarHBondContact O-CB 3.48Å; T427-A431 PolarHBondContact O-N 2.93Å
428L76Confident79.3Confident124 Ų12495.4 Ų95.465%0.64950%0.495SS*.Hα-helixtrans-64.3-41.3173.7-71.7170.4000112.1N424 I425 S426 A432N424-L428 VanDerWaalsContact O-CG 3.26Å; N424-L428 WeakPolarHBondContact O-CG 3.3Å; N424-L428 PolarHBondContact O-N 2.93Å; N424-L428 VanDerWaalsContact O-N 3.12Å; I425-L428 PolarHBondContact O-N 3.35Å; S426-L428 VanDerWaalsContact C-N 3.34Å; S426-L428 PolarHBondContact O-N 2.92Å; L428-A432 WeakPolarHBondContact O-CB 3.32Å; L428-A432 PolarHBondContact O-N 3.49Å
429L76.1Confident78.9Confident107 Ų10795.6 Ų95.656%0.5650%0.496SS*.Hα-helixtrans-66-41176.2-76166.7000112.1I425 S426 A432 L433I425-L429 HydrophobicContact CG2-CD1 3.98Å; I425-L429 WeakPolarHBondContact O-CG 3.38Å; I425-L429 PolarHBondContact O-N 2.91Å; S426-L429 PolarHBondContact O-N 3.31Å; L429-A432 PolarHBondContact O-N 3.46Å; L429-L433 WeakPolarHBondContact O-CB 3.5Å; L429-L433 WeakPolarHBondContact O-CG 3.46Å; L429-L433 PolarHBondContact O-N 3.4Å
430D80.3Confident78.4Confident85 Ų8595.2 Ų95.246%0.45550%0.496SS..Hα-helixtrans-66-43.2176.8-71.9-30000111.3S426 T427 A432 L433 V434S426-D430 WeakPolarHBondContact O-CB 3.39Å; S426-D430 VanDerWaalsContact O-CG 3.32Å; S426-D430 PolarHBondContact O-N 2.66Å; T427-D430 PolarHBondContact O-N 3.35Å; D430-A432 PolarHBondContact O-N 3.36Å; D430-L433 WeakPolarHBondContact O-CB 3.29Å; D430-L433 PolarHBondContact O-N 2.97Å; D430-V434 WeakPolarHBondContact O-CG2 3.39Å; D430-V434 PolarHBondContact O-N 3Å
431A77.1Confident77.9Confident57 Ų5792.4 Ų92.447%0.47150%0.496SS..Hα-helixtrans-60.2-45174.500000111.7T427 L433 V434 Q435T427-A431 WeakPolarHBondContact O-CB 3.48Å; T427-A431 PolarHBondContact O-N 2.93Å; A431-L433 VanDerWaalsContact C-N 3.32Å; A431-L433 PolarHBondContact O-N 3.43Å; A431-V434 PolarHBondContact O-N 2.91Å; A431-Q435 WeakPolarHBondContact O-CB 3.41Å; A431-Q435 PolarHBondContact O-N 3.29Å
432A72.8Confident77.4Confident45 Ų4593.7 Ų93.737%0.37250%0.499SS..Hα-helixtrans-62.6-38.2176.100000112.3L428 L429 D430 Q435 L436L428-A432 WeakPolarHBondContact O-CB 3.32Å; L428-A432 PolarHBondContact O-N 3.49Å; L429-A432 PolarHBondContact O-N 3.46Å; D430-A432 PolarHBondContact O-N 3.36Å; A432-Q435 PolarHBondContact O-N 2.95Å; A432-L436 WeakPolarHBondContact O-CB 3.27Å; A432-L436 WeakPolarHBondContact O-CG 3.46Å; A432-L436 PolarHBondContact O-N 2.73Å
433L79.2Confident76.3Confident63 Ų6393 Ų9333%0.3350%0.495SS..Hα-helixtrans-63.9-44.5174.6-88.2169000112.5L429 D430 A431 Q435 L436 Q437L429-L433 WeakPolarHBondContact O-CB 3.5Å; L429-L433 WeakPolarHBondContact O-CG 3.46Å; L429-L433 PolarHBondContact O-N 3.4Å; D430-L433 WeakPolarHBondContact O-CB 3.29Å; D430-L433 PolarHBondContact O-N 2.97Å; A431-L433 VanDerWaalsContact C-N 3.32Å; A431-L433 PolarHBondContact O-N 3.43Å; L433-Q435 VanDerWaalsContact C-N 3.33Å; L433-L436 PolarHBondContact O-N 3.5Å; L433-Q437 WeakPolarHBondContact O-CG 3.35Å; L433-Q437 PolarHBondContact O-N 3.48Å
434V80.1Confident75.6Confident73 Ų7389.6 Ų89.644%0.44249%0.49SS..Hα-helixtrans-61.7-43.8175.6170.80000110.3D430 A431 L436 Q437 Q438D430-V434 WeakPolarHBondContact O-CG2 3.39Å; D430-V434 PolarHBondContact O-N 3Å; A431-V434 PolarHBondContact O-N 2.91Å; V434-L436 PolarHBondContact O-N 2.74Å; V434-Q437 WeakPolarHBondContact O-CB 3.15Å; V434-Q437 PolarHBondContact O-N 3.3Å; V434-Q437 VanDerWaalsContact O-N 3.16Å; V434-Q438 WeakPolarHBondContact O-CG 3.27Å; V434-Q438 PolarHBondContact O-N 3.28Å
435Q76.8Confident75Confident98 Ų9890.1 Ų90.146%0.45850%0.497SS..Hα-helixtrans-62.4-42.5177.3-162.5-177.3-17.300111.6A431 A432 L433 Q437 Q438 Y439A431-Q435 WeakPolarHBondContact O-CB 3.41Å; A431-Q435 PolarHBondContact O-N 3.29Å; A432-Q435 PolarHBondContact O-N 2.95Å; L433-Q435 VanDerWaalsContact C-N 3.33Å; Q435-Q437 VanDerWaalsContact C-N 3.33Å; Q435-Q437 PolarHBondContact O-N 2.94Å; Q435-Q438 PolarHBondContact O-N 2.9Å; Q435-Y439 HydrophobicContact CG-CD2 4.23Å; Q435-Y439 HydrophobicContact CG-CE2 3.62Å; Q435-Y439 PolarHBondContact NE2-OH 3.3Å; Q435-Y439 VanDerWaalsContact NE2-OH 3.14Å; Q435-Y439 WeakPolarHBondContact O-CD2 3.43Å; Q435-Y439 PolarHBondContact O-N 2.99Å
436L74.3Confident73.5Confident91 Ų9193.6 Ų93.648%0.47651%0.508SS..Hα-helixtrans-62-38173.4-78.6165.7000112.7A432 L433 V434 Y439 S440A432-L436 WeakPolarHBondContact O-CB 3.27Å; A432-L436 WeakPolarHBondContact O-CG 3.46Å; A432-L436 PolarHBondContact O-N 2.73Å; L433-L436 PolarHBondContact O-N 3.5Å; V434-L436 PolarHBondContact O-N 2.74Å; L436-Y439 PolarHBondContact O-N 3.24Å; L436-S440 PolarHBondContact O-N 3.21Å
437Q80.6Confident71.7Confident129 Ų12999.1 Ų99.160%0.60354%0.54SS*.Hα-helixtrans-66.3-41.8174.7-77.1-177.6-46.800111.8L433 V434 Q435 Y439 S440 T441L433-Q437 WeakPolarHBondContact O-CG 3.35Å; L433-Q437 PolarHBondContact O-N 3.48Å; V434-Q437 WeakPolarHBondContact O-CB 3.15Å; V434-Q437 PolarHBondContact O-N 3.3Å; V434-Q437 VanDerWaalsContact O-N 3.16Å; Q435-Q437 VanDerWaalsContact C-N 3.33Å; Q435-Q437 PolarHBondContact O-N 2.94Å; Q437-Y439 PolarHBondContact O-N 3.48Å; Q437-S440 WeakPolarHBondContact O-CB 3.47Å; Q437-S440 PolarHBondContact O-N 2.92Å; Q437-S440 VanDerWaalsContact O-N 3.16Å; Q437-T441 PolarHBondContact O-N 3.43Å; Q437-T441 PolarHBondContact O-OG1 2.93Å; Q437-T441 VanDerWaalsContact O-OG1 3.09Å
438Q76.2Confident71.1Confident122 Ų122100 Ų10057%0.5754%0.541SS*.Hα-helixtrans-59.5-45.5175-72.3176.9-1900111.6V434 Q435 S440 T441 V442V434-Q438 WeakPolarHBondContact O-CG 3.27Å; V434-Q438 PolarHBondContact O-N 3.28Å; Q435-Q438 PolarHBondContact O-N 2.9Å; Q438-S440 VanDerWaalsContact C-N 3.32Å; Q438-S440 PolarHBondContact O-N 3.29Å; Q438-T441 PolarHBondContact O-N 2.92Å; Q438-V442 WeakPolarHBondContact O-CG2 3.45Å; Q438-V442 PolarHBondContact O-N 2.96Å
439Y70.1Confident70.9Confident135 Ų13598.7 Ų98.753%0.52954%0.536SS..Hα-helixtrans-59.8-41.9174.1-70.9-55.9000112.2Q435 L436 Q437 T441 V442 L443Q435-Y439 HydrophobicContact CG-CD2 4.23Å; Q435-Y439 HydrophobicContact CG-CE2 3.62Å; Q435-Y439 PolarHBondContact NE2-OH 3.3Å; Q435-Y439 VanDerWaalsContact NE2-OH 3.14Å; Q435-Y439 WeakPolarHBondContact O-CD2 3.43Å; Q435-Y439 PolarHBondContact O-N 2.99Å; L436-Y439 PolarHBondContact O-N 3.24Å; Q437-Y439 PolarHBondContact O-N 3.48Å; Y439-T441 VanDerWaalsContact C-N 3.32Å; Y439-T441 PolarHBondContact O-N 3.32Å; Y439-V442 PolarHBondContact O-N 3.03Å; Y439-L443 WeakPolarHBondContact O-CB 3.19Å; Y439-L443 WeakPolarHBondContact O-CG 3.48Å; Y439-L443 PolarHBondContact O-N 3.17Å
440S74.3Confident70.6Confident58 Ų5898.3 Ų98.341%0.40653%0.534SS..Hα-helixtrans-61.6-39.2176-173.70000112.6L436 Q437 Q438 L443 N444L436-S440 PolarHBondContact O-N 3.21Å; Q437-S440 WeakPolarHBondContact O-CB 3.47Å; Q437-S440 PolarHBondContact O-N 2.92Å; Q437-S440 VanDerWaalsContact O-N 3.16Å; Q438-S440 VanDerWaalsContact C-N 3.32Å; Q438-S440 PolarHBondContact O-N 3.29Å; S440-L443 PolarHBondContact O-N 3.38Å; S440-N444 PolarHBondContact O-N 3.46Å; S440-N444 PolarHBondContact O-ND2 3.39Å
441T73.7Confident70Confident90 Ų9099.1 Ų99.155%0.55254%0.539SS*.Hα-helixtrans-67.1-45.6178.2-55.40000111.3Q437 Q438 Y439 L443 N444 T445Q437-T441 PolarHBondContact O-N 3.43Å; Q437-T441 PolarHBondContact O-OG1 2.93Å; Q437-T441 VanDerWaalsContact O-OG1 3.09Å; Q438-T441 PolarHBondContact O-N 2.92Å; Y439-T441 VanDerWaalsContact C-N 3.32Å; Y439-T441 PolarHBondContact O-N 3.32Å; T441-L443 VanDerWaalsContact C-N 3.3Å; T441-L443 PolarHBondContact O-N 3.05Å; T441-N444 PolarHBondContact O-N 3.09Å; T441-T445 PolarHBondContact O-N 3.1Å
442V68.8Low69.6Low78 Ų78101.7 Ų101.747%0.47354%0.543SS..Hα-helixtrans-60.9-41176.5173.60000110.7Q438 Y439 N444 T445 F446Q438-V442 WeakPolarHBondContact O-CG2 3.45Å; Q438-V442 PolarHBondContact O-N 2.96Å; Y439-V442 PolarHBondContact O-N 3.03Å; V442-N444 PolarHBondContact O-N 2.77Å; V442-T445 PolarHBondContact O-N 3.36Å; V442-T445 PolarHBondContact O-OG1 3.13Å; V442-F446 HydrophobicContact CG1-CD2 4.19Å; V442-F446 HydrophobicContact CG1-CE2 3.65Å; V442-F446 WeakPolarHBondContact O-CD2 3.42Å
443L58.2Low69.3Low93 Ų93105.5 Ų105.549%0.48756%0.555SS.*Hα-helixtrans-65.6-38177.6-72.2169000112.8Y439 S440 T441 T445 F446Y439-L443 WeakPolarHBondContact O-CB 3.19Å; Y439-L443 WeakPolarHBondContact O-CG 3.48Å; Y439-L443 PolarHBondContact O-N 3.17Å; S440-L443 PolarHBondContact O-N 3.38Å; T441-L443 VanDerWaalsContact C-N 3.3Å; T441-L443 PolarHBondContact O-N 3.05Å; L443-T445 PolarHBondContact O-N 3.38Å; L443-F446 PolarHBondContact O-N 3.22Å; L443-F446 VanDerWaalsContact O-N 3.14Å
444N70.2Confident68.6Low107 Ų107108.5 Ų108.557%0.57257%0.571SS**Hα-helixtrans-68.2-18.2176.5-74.9-19.1000113.5S440 T441 V442 F446S440-N444 PolarHBondContact O-N 3.46Å; S440-N444 PolarHBondContact O-ND2 3.39Å; T441-N444 PolarHBondContact O-N 3.09Å; V442-N444 PolarHBondContact O-N 2.77Å; N444-F446 VanDerWaalsContact C-N 3.33Å
445T66.7Low67.8Low102 Ų102111.2 Ų111.263%0.62658%0.581SS**THydrogen-bonded Turntrans-81.6-11.317349.10000113.8T441 V442 L443T441-T445 PolarHBondContact O-N 3.1Å; V442-T445 PolarHBondContact O-N 3.36Å; V442-T445 PolarHBondContact O-OG1 3.13Å; L443-T445 PolarHBondContact O-N 3.38Å
446F46.5Very low67Low168 Ų168112.3 Ų112.374%0.73759%0.591SS**  trans-104.42.4179-68-68.7000113.9V442 L443 N444V442-F446 HydrophobicContact CG1-CD2 4.19Å; V442-F446 HydrophobicContact CG1-CE2 3.65Å; V442-F446 WeakPolarHBondContact O-CD2 3.42Å; L443-F446 PolarHBondContact O-N 3.22Å; L443-F446 VanDerWaalsContact O-N 3.14Å; N444-F446 VanDerWaalsContact C-N 3.33Å
447V44.5Very low66.3Low175 Ų175114.3 Ų114.3100%1.06160%0.601SS**  trans-107.90167.8-179.60000107.7

Retrieved 447 of 447 residues in 239 ms (Link to these results)

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