A0A087XZ97_POEFO Loading...

Negative regulator of ubiquitin like proteins 1

AlphaFold DB , UniProt , Accession A0A087XZ97, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 588 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
1M78.8Confident89.7Confident79 Ų7942.2 Ų42.239%0.38922%0.215SC..  0-67.90-68.5-166.1-85.100112.3E3 Q4 N5 L338 F341 L342 T575 Y579M1-E3 PolarHBondContact O-N 2.84Å; M1-Q4 WeakPolarHBondContact O-CB 3.45Å; M1-Q4 PolarHBondContact O-N 3.47Å; M1-Q4 VanDerWaalsContact O-N 3.15Å; M1-N5 PolarHBondContact O-N 3.42Å; M1-L338 HydrophobicContact SD-CD1 3.7Å; M1-F341 HydrophobicContact CB-CE1 4.24Å; M1-L342 HydrophobicContact CB-CD2 4.29Å; M1-L342 HydrophobicContact CG-CD2 4.14Å; M1-T575 HydrophobicContact CE-CG2 3.59Å; M1-Y579 HydrophobicContact CB-CD2 4.47Å; M1-Y579 HydrophobicContact CB-CE2 4.05Å; M1-Y579 HydrophobicContact CE-CE2 3.91Å
2A84.7Confident90.1Very high36 Ų3644.9 Ų44.930%0.29823%0.23SC..Hα-helixtrans-55.4-48.4-17800000114.6Q4 N5 L6 Y579A2-Q4 VanDerWaalsContact C-N 3.29Å; A2-Q4 PolarHBondContact O-N 2.92Å; A2-N5 PolarHBondContact O-N 3.36Å; A2-L6 PolarHBondContact O-N 3.42Å; A2-Y579 HydrophobicContact CB-CD1 3.79Å; A2-Y579 HydrophobicContact CB-CE1 3.64Å
3E85.6Confident90.5Very high86 Ų8643.5 Ų43.540%0.40222%0.223SC..Hα-helixtrans-60.8-38.5178.3-172.3-175.6165.500112.4M1 L6 Q7M1-E3 PolarHBondContact O-N 2.84Å; E3-L6 PolarHBondContact O-N 3.29Å; E3-Q7 WeakPolarHBondContact O-CB 3.42Å; E3-Q7 WeakPolarHBondContact O-CG 3.08Å; E3-Q7 PolarHBondContact O-N 3.41Å; E3-Q7 PolarHBondContact OE1-NE2 3.16Å; E3-Q7 VanDerWaalsContact OE1-NE2 3.13Å
4Q86.7Confident90.9Very high75 Ų7541 Ų4135%0.3521%0.21SC..Hα-helixtrans-66.7-44.1178-68.5174.6-21.400111.4M1 A2 Q7 A8 S288 L342M1-Q4 WeakPolarHBondContact O-CB 3.45Å; M1-Q4 PolarHBondContact O-N 3.47Å; M1-Q4 VanDerWaalsContact O-N 3.15Å; A2-Q4 VanDerWaalsContact C-N 3.29Å; A2-Q4 PolarHBondContact O-N 2.92Å; Q4-Q7 PolarHBondContact O-N 2.58Å; Q4-A8 WeakPolarHBondContact O-CB 3.47Å; Q4-A8 PolarHBondContact O-N 2.97Å; Q4-S288 PolarHBondContact NE2-OG 3.1Å; Q4-L342 HydrophobicContact CB-CD2 4.23Å
5N90.8Very high91.2Very high10 Ų1049.7 Ų49.75%0.05325%0.246CC..Hα-helixtrans-58.7-47.1173.6168.3-92.9000111.2M1 A2 A8 K9 F341 D346M1-N5 PolarHBondContact O-N 3.42Å; A2-N5 PolarHBondContact O-N 3.36Å; N5-A8 PolarHBondContact O-N 3Å; N5-K9 WeakPolarHBondContact O-CG 3.39Å; N5-K9 PolarHBondContact O-N 2.97Å; N5-K9 WeakPolarHBondContact OD1-CE 3.15Å; N5-K9 PolarHBondContact OD1-NZ 3.35Å; N5-F341 HydrophobicContact CB-CD1 4.21Å; N5-F341 HydrophobicContact CB-CD2 4.37Å; N5-F341 HydrophobicContact CB-CE1 3.69Å; N5-F341 HydrophobicContact CB-CE2 3.9Å; N5-F341 HydrophobicContact CB-CZ 3.51Å; N5-F341 WeakPolarHBondContact CB-O 3.39Å; N5-F341 VanDerWaalsContact CG-CE2 3.44Å; N5-F341 WeakPolarHBondContact ND2-CD2 3.25Å; N5-F341 WeakPolarHBondContact ND2-CE2 3.47Å; N5-F341 PolarHBondContact ND2-O 3.26Å; N5-D346 PolarHBondContact ND2-OD1 3.24Å
6L92Very high91.4Very high20 Ų2055.9 Ų55.911%0.10527%0.274CS..Hα-helixtrans-60.5-48.9177.4177.454.6000111.6A2 E3 A8 K9 L10 L49 L51 A59A2-L6 PolarHBondContact O-N 3.42Å; E3-L6 PolarHBondContact O-N 3.29Å; L6-A8 VanDerWaalsContact C-N 3.27Å; L6-A8 PolarHBondContact O-N 3.29Å; L6-K9 PolarHBondContact O-N 3.45Å; L6-L10 HydrophobicContact CD1-CD1 3.94Å; L6-L10 HydrophobicContact CD1-CG 4.12Å; L6-L10 HydrophobicContact CG-CD1 4.03Å; L6-L10 WeakPolarHBondContact O-CG 3.32Å; L6-L10 PolarHBondContact O-N 3.45Å; L6-L49 HydrophobicContact CD1-CD1 3.83Å; L6-L51 HydrophobicContact CD1-CD1 3.5Å; L6-L51 VanDerWaalsContact CD1-CD1 3.5Å; L6-L51 HydrophobicContact CD2-CD1 4.12Å; L6-L51 HydrophobicContact CG-CD1 4.35Å; L6-A59 HydrophobicContact CD2-CB 3.65Å; L6-A59 HydrophobicContact CG-CB 3.84Å
7Q92.3Very high91.6Very high15 Ų1557.9 Ų57.97%0.0728%0.283CS..Hα-helixtrans-61.1-37.3177.4-73.7-17621.900112.1E3 Q4 K11 S62 I63E3-Q7 WeakPolarHBondContact O-CB 3.42Å; E3-Q7 WeakPolarHBondContact O-CG 3.08Å; E3-Q7 PolarHBondContact O-N 3.41Å; E3-Q7 PolarHBondContact OE1-NE2 3.16Å; E3-Q7 VanDerWaalsContact OE1-NE2 3.13Å; Q4-Q7 PolarHBondContact O-N 2.58Å; Q7-K11 WeakPolarHBondContact O-CB 3.5Å; Q7-K11 WeakPolarHBondContact O-CD 3.26Å; Q7-K11 WeakPolarHBondContact O-CG 3.43Å; Q7-K11 PolarHBondContact O-N 3.08Å; Q7-S62 PolarHBondContact NE2-OG 3.04Å; Q7-I63 HydrophobicContact CB-CD1 4.31Å; Q7-I63 HydrophobicContact CB-CG1 4.32Å; Q7-I63 HydrophobicContact CG-CD1 4.36Å; Q7-I63 HydrophobicContact CG-CG1 4.12Å
8A92Very high91.8Very high18 Ų1864.9 Ų64.915%0.14931%0.312CS..Hα-helixtrans-67.4-44.3177.400000112Q4 N5 L6 L10 K11 N12 L342 E343Q4-A8 WeakPolarHBondContact O-CB 3.47Å; Q4-A8 PolarHBondContact O-N 2.97Å; N5-A8 PolarHBondContact O-N 3Å; L6-A8 VanDerWaalsContact C-N 3.27Å; L6-A8 PolarHBondContact O-N 3.29Å; A8-L10 PolarHBondContact O-N 2.94Å; A8-K11 PolarHBondContact O-N 3.24Å; A8-N12 PolarHBondContact O-N 3.27Å; A8-N12 PolarHBondContact O-ND2 2.84Å; A8-L342 WeakPolarHBondContact CB-O 3.43Å; A8-E343 VanDerWaalsContact CB-C 3.46Å
9K93.9Very high91.9Very high35 Ų3563.1 Ų63.115%0.15231%0.305CS..Hα-helixtrans-57.4-48.8173.4-73169.7174.4167.50111.8N5 L6 K11 N12 L13 L49 G344 D346N5-K9 WeakPolarHBondContact O-CG 3.39Å; N5-K9 PolarHBondContact O-N 2.97Å; N5-K9 WeakPolarHBondContact OD1-CE 3.15Å; N5-K9 PolarHBondContact OD1-NZ 3.35Å; L6-K9 PolarHBondContact O-N 3.45Å; K9-K11 PolarHBondContact O-N 3.17Å; K9-N12 WeakPolarHBondContact O-CB 3.18Å; K9-N12 PolarHBondContact O-N 2.87Å; K9-N12 VanDerWaalsContact O-N 3.16Å; K9-L13 PolarHBondContact O-N 3.27Å; K9-L49 HydrophobicContact CB-CD2 3.96Å; K9-L49 HydrophobicContact CD-CD2 4.1Å; K9-L49 HydrophobicContact CG-CD2 4.5Å; K9-G344 WeakPolarHBondContact CG-O 3.46Å; K9-D346 WeakPolarHBondContact CE-OD1 3.09Å; K9-D346 WeakPolarHBondContact CE-OD2 3.2Å; K9-D346 IonicContact NZ-OD1 3.27Å; K9-D346 PolarHBondContact NZ-OD1 2.98Å; K9-D346 IonicContact NZ-OD2 3.41Å; K9-D346 PolarHBondContact NZ-OD2 3.34Å
10L95.8Very high92Very high0 Ų064.7 Ų64.70%031%0.311CS..Hα-helixtrans-62.2-44177.9-71.7169.6000111.7L6 A8 N12 L13 L14 Y45 L49 V56 A59 L60 I63L6-L10 HydrophobicContact CD1-CD1 3.94Å; L6-L10 HydrophobicContact CD1-CG 4.12Å; L6-L10 HydrophobicContact CG-CD1 4.03Å; L6-L10 WeakPolarHBondContact O-CG 3.32Å; L6-L10 PolarHBondContact O-N 3.45Å; A8-L10 PolarHBondContact O-N 2.94Å; L10-N12 VanDerWaalsContact C-N 3.25Å; L10-N12 PolarHBondContact O-N 3.07Å; L10-L13 PolarHBondContact O-N 2.85Å; L10-L14 WeakPolarHBondContact O-CB 3.39Å; L10-L14 WeakPolarHBondContact O-CD1 3.47Å; L10-L14 WeakPolarHBondContact O-CG 3.27Å; L10-L14 PolarHBondContact O-N 2.91Å; L10-Y45 HydrophobicContact CD2-CD2 3.66Å; L10-Y45 HydrophobicContact CD2-CG 4.26Å; L10-L49 HydrophobicContact CD2-CD1 3.56Å; L10-L49 HydrophobicContact CG-CD1 4.02Å; L10-V56 HydrophobicContact CD1-CG1 4.41Å; L10-V56 HydrophobicContact CD2-CG1 3.86Å; L10-A59 HydrophobicContact CD1-CB 3.53Å; L10-L60 HydrophobicContact CB-CD2 4.49Å; L10-L60 HydrophobicContact CD1-CD2 4.31Å; L10-L60 HydrophobicContact CD1-CG 4.2Å; L10-L60 HydrophobicContact CD2-CD2 4.09Å; L10-L60 HydrophobicContact CD2-CG 4.33Å; L10-I63 HydrophobicContact CB-CD1 3.63Å; L10-I63 HydrophobicContact CD1-CD1 4.14Å
11K94.7Very high92.1Very high90 Ų9061.7 Ų61.739%0.39130%0.297SS..Hα-helixtrans-57.8-37.9174.5-76.6168.7-175.7171.40112.3Q7 A8 K9 K15 I63Q7-K11 WeakPolarHBondContact O-CB 3.5Å; Q7-K11 WeakPolarHBondContact O-CD 3.26Å; Q7-K11 WeakPolarHBondContact O-CG 3.43Å; Q7-K11 PolarHBondContact O-N 3.08Å; A8-K11 PolarHBondContact O-N 3.24Å; K9-K11 PolarHBondContact O-N 3.17Å; K11-K15 VanDerWaalsContact O-CB 3.29Å; K11-K15 WeakPolarHBondContact O-CB 3.5Å; K11-K15 PolarHBondContact O-N 3Å; K11-I63 HydrophobicContact CG-CD1 4.2Å; K11-I63 HydrophobicContact CG-CG2 4.34Å
12N93.9Very high92.8Very high75 Ų7563.8 Ų63.840%0.40130%0.301SS..Hα-helixtrans-67.9-44.6176.2-70.1-27.4000111.9A8 K9 L10 K15 Q16 E343A8-N12 PolarHBondContact O-N 3.27Å; A8-N12 PolarHBondContact O-ND2 2.84Å; K9-N12 WeakPolarHBondContact O-CB 3.18Å; K9-N12 PolarHBondContact O-N 2.87Å; K9-N12 VanDerWaalsContact O-N 3.16Å; L10-N12 VanDerWaalsContact C-N 3.25Å; L10-N12 PolarHBondContact O-N 3.07Å; N12-K15 PolarHBondContact O-N 3.45Å; N12-Q16 VanDerWaalsContact O-CG 3.31Å; N12-Q16 WeakPolarHBondContact O-CG 3.31Å; N12-Q16 PolarHBondContact O-N 3.2Å; N12-E343 PolarHBondContact ND2-O 2.88Å
13L95.3Very high93.1Very high26 Ų2665.1 Ų65.114%0.13630%0.303CS..Hα-helixtrans-61.7-50.2175.8-70.3174000111.8K9 L10 K15 Q16 E17 Y45 L49K9-L13 PolarHBondContact O-N 3.27Å; L10-L13 PolarHBondContact O-N 2.85Å; L13-K15 PolarHBondContact O-N 3.01Å; L13-Q16 WeakPolarHBondContact O-CB 3.49Å; L13-Q16 PolarHBondContact O-N 3.39Å; L13-E17 PolarHBondContact O-N 3.02Å; L13-Y45 HydrophobicContact CB-CE1 4.16Å; L13-Y45 HydrophobicContact CB-CE2 4.28Å; L13-Y45 HydrophobicContact CD1-CD1 4.03Å; L13-Y45 HydrophobicContact CD1-CD2 4.46Å; L13-Y45 HydrophobicContact CD1-CE1 4.43Å; L13-Y45 HydrophobicContact CD1-CG 4.05Å; L13-L49 HydrophobicContact CD1-CD1 4.31Å; L13-L49 HydrophobicContact CD1-CD2 3.96Å; L13-L49 HydrophobicContact CD1-CG 4.2Å
14L96.1Very high93.4Very high9 Ų966 Ų665%0.04732%0.316CS..Hα-helixtrans-55.2-40.6176.2-68.4166.4000111.3L10 K18 V19 L21 L41 Y45 L60 I63L10-L14 WeakPolarHBondContact O-CB 3.39Å; L10-L14 WeakPolarHBondContact O-CD1 3.47Å; L10-L14 WeakPolarHBondContact O-CG 3.27Å; L10-L14 PolarHBondContact O-N 2.91Å; L14-K18 CarbonylContact O-C 3.53Å; L14-K18 WeakPolarHBondContact O-CA 3.35Å; L14-K18 PolarHBondContact O-N 2.94Å; L14-V19 HydrophobicContact CB-CB 4.48Å; L14-V19 HydrophobicContact CD2-CB 3.67Å; L14-V19 HydrophobicContact CD2-CG1 3.56Å; L14-V19 PolarHBondContact O-N 3.14Å; L14-L21 HydrophobicContact CD1-CD1 3.67Å; L14-L21 HydrophobicContact CD1-CG 4.09Å; L14-L21 HydrophobicContact CD2-CD1 4.31Å; L14-L21 HydrophobicContact CD2-CD2 3.97Å; L14-L21 HydrophobicContact CD2-CG 4.04Å; L14-L41 HydrophobicContact CD2-CD2 3.92Å; L14-Y45 HydrophobicContact CD2-CE2 3.86Å; L14-Y45 HydrophobicContact CG-CE2 4.21Å; L14-L60 HydrophobicContact CD1-CD2 4.15Å; L14-L60 HydrophobicContact CD2-CD2 4.27Å; L14-I63 HydrophobicContact CD1-CD1 4.46Å; L14-I63 HydrophobicContact CD1-CG2 4.32Å
15K94.9Very high93.7Very high172 Ų17265.3 Ų65.375%0.74832%0.318SS*.Hα-helixtrans-67.6-40.5177.1-174.6180178.4-176.30112.5K11 N12 L13 K18K11-K15 VanDerWaalsContact O-CB 3.29Å; K11-K15 WeakPolarHBondContact O-CB 3.5Å; K11-K15 PolarHBondContact O-N 3Å; N12-K15 PolarHBondContact O-N 3.45Å; L13-K15 PolarHBondContact O-N 3.01Å; K15-K18 PolarHBondContact O-N 3.04Å
16Q94.6Very high93.8Very high148 Ų14866.3 Ų66.369%0.69232%0.322SS*.Hα-helixtrans-63.7-42.5177.9-73.2170.810.700111.3N12 L13 K18N12-Q16 VanDerWaalsContact O-CG 3.31Å; N12-Q16 WeakPolarHBondContact O-CG 3.31Å; N12-Q16 PolarHBondContact O-N 3.2Å; L13-Q16 WeakPolarHBondContact O-CB 3.49Å; L13-Q16 PolarHBondContact O-N 3.39Å; Q16-K18 VanDerWaalsContact C-N 3.31Å
17E94.9Very high93.8Very high91 Ų9165.6 Ų65.643%0.42532%0.319SS..THydrogen-bonded Turntrans-87.2-0.1179.6-65.2-179.2-177.500113.4L13 V19 H44 Y45L13-E17 PolarHBondContact O-N 3.02Å; E17-V19 HydrophobicContact CB-CG2 3.88Å; E17-V19 PolarHBondContact O-N 3.31Å; E17-H44 IonicContact OE1-CE1 3.45Å; E17-H44 PolarHBondContact OE1-CE1 3.35Å; E17-Y45 VanDerWaalsContact OE2-CE1 3.26Å; E17-Y45 WeakPolarHBondContact OE2-CE1 3.02Å; E17-Y45 VanDerWaalsContact OE2-CZ 3.32Å; E17-Y45 PolarHBondContact OE2-OH 3.19Å
18K94.7Very high93.7Very high184 Ų18469.5 Ų69.580%0.834%0.337SS*.THydrogen-bonded Turntrans56.631.3-178.1-55.9178-179.1175.30113.7L14 K15 Q16L14-K18 CarbonylContact O-C 3.53Å; L14-K18 WeakPolarHBondContact O-CA 3.35Å; L14-K18 PolarHBondContact O-N 2.94Å; K15-K18 PolarHBondContact O-N 3.04Å; Q16-K18 VanDerWaalsContact C-N 3.31Å
19V95Very high93.3Very high30 Ų3078.4 Ų78.418%0.18238%0.375CS..  trans-79.2129.2177.8178.30000110.1L14 E17 L21 F26 L41L14-V19 HydrophobicContact CB-CB 4.48Å; L14-V19 HydrophobicContact CD2-CB 3.67Å; L14-V19 HydrophobicContact CD2-CG1 3.56Å; L14-V19 PolarHBondContact O-N 3.14Å; E17-V19 HydrophobicContact CB-CG2 3.88Å; E17-V19 PolarHBondContact O-N 3.31Å; V19-L21 HydrophobicContact CG1-CD2 4.1Å; V19-F26 HydrophobicContact CG1-CD2 4.25Å; V19-F26 HydrophobicContact CG1-CE2 3.56Å; V19-F26 HydrophobicContact CG1-CZ 3.77Å; V19-L41 HydrophobicContact CG1-CD2 4.2Å
20Q94.2Very high93Very high94 Ų9481.2 Ų81.244%0.43939%0.392SS..  trans-115.399179.1-65.3-177.1-15.900109.8W22 N23Q20-W22 HydrophobicContact CB-CD2 4.23Å; Q20-W22 HydrophobicContact CB-CE3 4.44Å; Q20-W22 HydrophobicContact CB-CH2 4.07Å; Q20-W22 HydrophobicContact CB-CZ2 3.79Å; Q20-W22 HydrophobicContact CB-CZ3 4.38Å; Q20-W22 HydrophobicContact CG-CH2 3.83Å; Q20-W22 HydrophobicContact CG-CZ2 3.58Å; Q20-W22 PolarHBondContact O-N 2.98Å; Q20-N23 HydrophobicContact CB-CB 4.36Å; Q20-N23 PolarHBondContact O-N 3.23Å; Q20-N23 VanDerWaalsContact O-N 3.14Å; Q20-N23 PolarHBondContact OE1-ND2 3.03Å
21L93.9Very high92.5Very high3 Ų383.3 Ų83.32%0.01640%0.404CS..THydrogen-bonded Turntrans-63.9-25.1-174.8-64-179.8000113.6L14 V19 N23 F26 T27 L38 L41 L60 I63 R64L14-L21 HydrophobicContact CD1-CD1 3.67Å; L14-L21 HydrophobicContact CD1-CG 4.09Å; L14-L21 HydrophobicContact CD2-CD1 4.31Å; L14-L21 HydrophobicContact CD2-CD2 3.97Å; L14-L21 HydrophobicContact CD2-CG 4.04Å; V19-L21 HydrophobicContact CG1-CD2 4.1Å; L21-N23 PolarHBondContact O-N 3.31Å; L21-F26 HydrophobicContact CD2-CB 4.3Å; L21-F26 HydrophobicContact CD2-CD1 4.14Å; L21-F26 HydrophobicContact CD2-CD2 4.35Å; L21-F26 HydrophobicContact CD2-CG 4Å; L21-F26 WeakPolarHBondContact O-CB 3.29Å; L21-T27 PolarHBondContact O-OG1 3.38Å; L21-L38 HydrophobicContact CD2-CD2 4.17Å; L21-L41 HydrophobicContact CD2-CD2 3.66Å; L21-L60 HydrophobicContact CD1-CD2 4.05Å; L21-I63 HydrophobicContact CD1-CB 4.08Å; L21-I63 HydrophobicContact CD1-CG2 3.88Å; L21-R64 HydrophobicContact CB-CB 3.92Å; L21-R64 HydrophobicContact CB-CG 3.97Å; L21-R64 HydrophobicContact CD1-CB 4.24Å; L21-R64 WeakPolarHBondContact O-CG 3.36Å
22W93Very high92.3Very high123 Ų12384 Ų8447%0.46641%0.408SS..THydrogen-bonded Turntrans-79.5-0.2179.46185.1000113.9Q20 A67 V68Q20-W22 HydrophobicContact CB-CD2 4.23Å; Q20-W22 HydrophobicContact CB-CE3 4.44Å; Q20-W22 HydrophobicContact CB-CH2 4.07Å; Q20-W22 HydrophobicContact CB-CZ2 3.79Å; Q20-W22 HydrophobicContact CB-CZ3 4.38Å; Q20-W22 HydrophobicContact CG-CH2 3.83Å; Q20-W22 HydrophobicContact CG-CZ2 3.58Å; Q20-W22 PolarHBondContact O-N 2.98Å; W22-A67 HydrophobicContact CB-CB 4.12Å; W22-A67 HydrophobicContact CD2-CB 4.26Å; W22-A67 HydrophobicContact CE3-CB 3.6Å; W22-A67 HydrophobicContact CZ3-CB 4.39Å; W22-V68 HydrophobicContact CB-CG2 4.03Å
23N92Very high92.1Very high63 Ų6382.4 Ų82.434%0.33740%0.402SS..SBendtrans-113.1163.4177.6-75.8-15.3000110.9Q20 L21 F26 T27Q20-N23 HydrophobicContact CB-CB 4.36Å; Q20-N23 PolarHBondContact O-N 3.23Å; Q20-N23 VanDerWaalsContact O-N 3.14Å; Q20-N23 PolarHBondContact OE1-ND2 3.03Å; L21-N23 PolarHBondContact O-N 3.31Å; N23-F26 PolarHBondContact O-N 2.85Å; N23-T27 PolarHBondContact O-N 3.05Å; N23-T27 VanDerWaalsContact O-N 3.15Å
24P90.2Very high91.9Very high105 Ų10581.8 Ų81.868%0.68240%0.4SS*.THydrogen-bonded Turntrans-56.5143.9167.8-24.434.8000111.2
25P92.7Very high91.5Very high61 Ų6185 Ų8540%0.39643%0.428SS..THydrogen-bonded Turncis-87.90.96.736-37.3000115S34 H37P25-S34 WeakPolarHBondContact O-CB 3.33Å; P25-S34 PolarHBondContact O-OG 2.9Å; P25-H37 HydrophobicContact CG-CB 4.43Å
26F93.2Very high91.4Very high31 Ų3181.2 Ų81.214%0.13642%0.418CS..THydrogen-bonded Turntrans-81.7-31.9-171.1-55.1-73.4000113.9V19 L21 N23 S34 H37 L38 L41V19-F26 HydrophobicContact CG1-CD2 4.25Å; V19-F26 HydrophobicContact CG1-CE2 3.56Å; V19-F26 HydrophobicContact CG1-CZ 3.77Å; L21-F26 HydrophobicContact CD2-CB 4.3Å; L21-F26 HydrophobicContact CD2-CD1 4.14Å; L21-F26 HydrophobicContact CD2-CD2 4.35Å; L21-F26 HydrophobicContact CD2-CG 4Å; L21-F26 WeakPolarHBondContact O-CB 3.29Å; N23-F26 PolarHBondContact O-N 2.85Å; F26-S34 PolarHBondContact O-N 2.92Å; F26-H37 HydrophobicContact CD1-CB 3.91Å; F26-H37 HydrophobicContact CE1-CB 4.08Å; F26-L38 HydrophobicContact CD1-CD2 4.34Å; F26-L41 HydrophobicContact CD1-CD2 4.45Å; F26-L41 HydrophobicContact CE1-CB 4.32Å; F26-L41 HydrophobicContact CE1-CD2 3.92Å; F26-L41 HydrophobicContact CZ-CD2 4.36Å
27T92.3Very high91.3Very high5 Ų577.3 Ų77.33%0.03140%0.4CS..BIsolated β-bridgetrans-117127.8173.1-63.10000109.4L21 N23 R64 V68L21-T27 PolarHBondContact O-OG1 3.38Å; N23-T27 PolarHBondContact O-N 3.05Å; N23-T27 VanDerWaalsContact O-N 3.15Å; T27-R64 WeakPolarHBondContact OG1-CD 3.46Å; T27-R64 WeakPolarHBondContact OG1-CG 3.33Å; T27-R64 PolarHBondContact OG1-NH1 3.2Å; T27-V68 HydrophobicContact CG2-CG2 3.95Å
28Q90.2Very high91.2Very high96 Ų9673.5 Ų73.545%0.44938%0.383SS..  trans-80.7169.9177.2-62.5-176.722.300111.1D30 D31 Q32Q28-D30 WeakPolarHBondContact CB-OD1 3.39Å; Q28-D30 PolarHBondContact O-N 3.14Å; Q28-D30 VanDerWaalsContact O-N 3.17Å; Q28-D31 PolarHBondContact O-N 2.77Å; Q28-Q32 PolarHBondContact N-O 3.1Å
29E84.3Confident91.2Very high205 Ų20568.6 Ų68.696%0.95836%0.363SS*.THydrogen-bonded Turntrans-60.7-25.5-176.6-66.4-171.9166.500113.7D31E29-D31 VanDerWaalsContact C-N 3.28Å; E29-D31 PolarHBondContact O-N 2.9Å
30D86.4Confident91.2Very high94 Ų9472.3 Ų72.350%0.50338%0.378SS..THydrogen-bonded Turntrans-89.815.8177.163.9-12.9000113.4Q28 Q32Q28-D30 WeakPolarHBondContact CB-OD1 3.39Å; Q28-D30 PolarHBondContact O-N 3.14Å; Q28-D30 VanDerWaalsContact O-N 3.17Å; D30-Q32 HydrophobicContact CB-CG 4.39Å; D30-Q32 VanDerWaalsContact CG-CG 3.41Å; D30-Q32 PolarHBondContact O-N 3.13Å; D30-Q32 VanDerWaalsContact OD1-CB 3.28Å; D30-Q32 WeakPolarHBondContact OD1-CB 2.96Å; D30-Q32 WeakPolarHBondContact OD1-CG 3.34Å; D30-Q32 PolarHBondContact OD1-N 3.25Å; D30-Q32 WeakPolarHBondContact OD2-CG 3.45Å
31D86.8Confident91.2Very high45 Ų4568.7 Ų68.724%0.24136%0.361CS..SBendtrans62.810.3-175.3-65-53.8000114.7Q28 E29 R64 V68 K72Q28-D31 PolarHBondContact O-N 2.77Å; E29-D31 VanDerWaalsContact C-N 3.28Å; E29-D31 PolarHBondContact O-N 2.9Å; D31-R64 PolarHBondContact O-NH1 2.9Å; D31-V68 HydrophobicContact CB-CG1 3.85Å; D31-K72 WeakPolarHBondContact OD2-CE 3.33Å; D31-K72 IonicContact OD2-NZ 3.42Å; D31-K72 PolarHBondContact OD2-NZ 2.79Å
32Q89.4Confident91.3Very high105 Ų10568.5 Ų68.549%0.49136%0.361SS..  trans-79.5151.7178.5-64.2-57.8-33.300112.3Q28 D30Q28-Q32 PolarHBondContact N-O 3.1Å; D30-Q32 HydrophobicContact CB-CG 4.39Å; D30-Q32 VanDerWaalsContact CG-CG 3.41Å; D30-Q32 PolarHBondContact O-N 3.13Å; D30-Q32 VanDerWaalsContact OD1-CB 3.28Å; D30-Q32 WeakPolarHBondContact OD1-CB 2.96Å; D30-Q32 WeakPolarHBondContact OD1-CG 3.34Å; D30-Q32 PolarHBondContact OD1-N 3.25Å; D30-Q32 WeakPolarHBondContact OD2-CG 3.45Å
33P90.8Very high91.5Very high41 Ų4168 Ų6827%0.26636%0.364SS..BIsolated β-bridgetrans-71.4139177.928-32.1000112A35 L38 E61P33-A35 PolarHBondContact O-N 3.3Å; P33-L38 HydrophobicContact CB-CD1 3.65Å; P33-E61 VanDerWaalsContact CB-OE2 3.26Å; P33-E61 WeakPolarHBondContact CB-OE2 3.49Å
34S91.3Very high91.6Very high13 Ų1369.7 Ų69.79%0.09137%0.369CS..  trans-82.696.2164.7-166.60000110.1P25 F26 V36 H37 L38P25-S34 WeakPolarHBondContact O-CB 3.33Å; P25-S34 PolarHBondContact O-OG 2.9Å; F26-S34 PolarHBondContact O-N 2.92Å; S34-V36 PolarHBondContact O-N 3.48Å; S34-H37 PolarHBondContact O-N 3.41Å; S34-H37 PolarHBondContact OG-ND1 3.36Å; S34-L38 WeakPolarHBondContact O-CB 3.18Å; S34-L38 WeakPolarHBondContact O-CG 3.47Å; S34-L38 PolarHBondContact O-N 2.93Å
35A87.4Confident91.9Very high77 Ų7764.7 Ų64.764%0.63634%0.336SS*.Hα-helixtrans-54.6-37.9-17600000113P33 Q39P33-A35 PolarHBondContact O-N 3.3Å; A35-Q39 WeakPolarHBondContact O-CB 3.45Å; A35-Q39 PolarHBondContact O-N 3.43Å
36V92Very high92Very high91 Ų9162.2 Ų62.255%0.55232%0.322SS*.Hα-helixtrans-65.5-55.7-180-178.70000111.2S34 L38 Q39 E40S34-V36 PolarHBondContact O-N 3.48Å; V36-L38 VanDerWaalsContact C-N 3.34Å; V36-L38 PolarHBondContact O-N 3.47Å; V36-Q39 WeakPolarHBondContact O-CB 3.4Å; V36-Q39 PolarHBondContact O-N 3.08Å; V36-Q39 VanDerWaalsContact O-N 3.14Å; V36-E40 WeakPolarHBondContact O-CG 3.48Å; V36-E40 PolarHBondContact O-N 3.28Å
37H93Very high92Very high66 Ų6665.4 Ų65.431%0.30635%0.345SS..Hα-helixtrans-68-33.1-176.4-61.893.3000112.7P25 F26 S34 L41P25-H37 HydrophobicContact CG-CB 4.43Å; F26-H37 HydrophobicContact CD1-CB 3.91Å; F26-H37 HydrophobicContact CE1-CB 4.08Å; S34-H37 PolarHBondContact O-N 3.41Å; S34-H37 PolarHBondContact OG-ND1 3.36Å; H37-L41 WeakPolarHBondContact O-CB 3.5Å; H37-L41 PolarHBondContact O-N 3.26Å
38L93.3Very high91.9Very high11 Ų1170.3 Ų70.36%0.05837%0.371CS..Hα-helixtrans-67.7-39172.6-73.7172.8000111.7L21 F26 P33 S34 V36 L41 A42 L60 E61L21-L38 HydrophobicContact CD2-CD2 4.17Å; F26-L38 HydrophobicContact CD1-CD2 4.34Å; P33-L38 HydrophobicContact CB-CD1 3.65Å; S34-L38 WeakPolarHBondContact O-CB 3.18Å; S34-L38 WeakPolarHBondContact O-CG 3.47Å; S34-L38 PolarHBondContact O-N 2.93Å; V36-L38 VanDerWaalsContact C-N 3.34Å; V36-L38 PolarHBondContact O-N 3.47Å; L38-L41 PolarHBondContact O-N 2.64Å; L38-A42 VanDerWaalsContact O-CB 3.27Å; L38-A42 WeakPolarHBondContact O-CB 3.45Å; L38-A42 PolarHBondContact O-N 2.81Å; L38-L60 HydrophobicContact CD2-CB 4.38Å; L38-E61 WeakPolarHBondContact CD1-OE2 3.49Å
39Q94.2Very high91.9Very high82 Ų8267.3 Ų67.338%0.38336%0.357SS..Hα-helixtrans-66.1-42.9176.6-175.66419.300111.6A35 V36 A42 Q43A35-Q39 WeakPolarHBondContact O-CB 3.45Å; A35-Q39 PolarHBondContact O-N 3.43Å; V36-Q39 WeakPolarHBondContact O-CB 3.4Å; V36-Q39 PolarHBondContact O-N 3.08Å; V36-Q39 VanDerWaalsContact O-N 3.14Å; Q39-A42 PolarHBondContact O-N 2.96Å; Q39-Q43 VanDerWaalsContact O-CG 3.32Å; Q39-Q43 WeakPolarHBondContact O-CG 3.48Å; Q39-Q43 PolarHBondContact O-N 3.14Å
40E94.8Very high92.1Very high107 Ų10758.9 Ų58.950%0.533%0.326SS..Hα-helixtrans-60.6-45.5174.9-72.1173.2175.500111.4V36 A42 Q43 H44V36-E40 WeakPolarHBondContact O-CG 3.48Å; V36-E40 PolarHBondContact O-N 3.28Å; E40-A42 VanDerWaalsContact C-N 3.32Å; E40-A42 PolarHBondContact O-N 2.93Å; E40-Q43 PolarHBondContact O-N 3.38Å; E40-H44 PolarHBondContact O-N 3.3Å
41L95.2Very high92.3Very high18 Ų1856.9 Ų56.99%0.09432%0.315CS..Hα-helixtrans-64.8-37.7176.8-16966.6000111.9L14 V19 L21 F26 H37 L38 H44 Y45 L60L14-L41 HydrophobicContact CD2-CD2 3.92Å; V19-L41 HydrophobicContact CG1-CD2 4.2Å; L21-L41 HydrophobicContact CD2-CD2 3.66Å; F26-L41 HydrophobicContact CD1-CD2 4.45Å; F26-L41 HydrophobicContact CE1-CB 4.32Å; F26-L41 HydrophobicContact CE1-CD2 3.92Å; F26-L41 HydrophobicContact CZ-CD2 4.36Å; H37-L41 WeakPolarHBondContact O-CB 3.5Å; H37-L41 PolarHBondContact O-N 3.26Å; L38-L41 PolarHBondContact O-N 2.64Å; L41-H44 WeakPolarHBondContact O-CB 3.48Å; L41-H44 PolarHBondContact O-N 3Å; L41-Y45 HydrophobicContact CD1-CD2 4.32Å; L41-Y45 HydrophobicContact CD1-CE1 4.32Å; L41-Y45 HydrophobicContact CD1-CE2 3.73Å; L41-Y45 HydrophobicContact CD2-CE2 4.13Å; L41-Y45 HydrophobicContact CG-CD2 4.07Å; L41-Y45 HydrophobicContact CG-CE2 3.77Å; L41-Y45 PolarHBondContact O-N 3.17Å; L41-L60 HydrophobicContact CB-CD1 4.19Å; L41-L60 HydrophobicContact CD2-CD1 4.07Å; L41-L60 HydrophobicContact CD2-CD2 4.12Å; L41-L60 HydrophobicContact CG-CD1 4.02Å
42A96.1Very high92.6Very high0 Ų057.2 Ų57.20%032%0.321CS..Hα-helixtrans-64.8-42.7175.200000111.8L38 Q39 E40 H44 Y45 A46 A53 V56 L60L38-A42 VanDerWaalsContact O-CB 3.27Å; L38-A42 WeakPolarHBondContact O-CB 3.45Å; L38-A42 PolarHBondContact O-N 2.81Å; Q39-A42 PolarHBondContact O-N 2.96Å; E40-A42 VanDerWaalsContact C-N 3.32Å; E40-A42 PolarHBondContact O-N 2.93Å; A42-H44 VanDerWaalsContact C-N 3.27Å; A42-H44 PolarHBondContact O-N 3.24Å; A42-Y45 PolarHBondContact O-N 2.8Å; A42-A46 WeakPolarHBondContact O-CB 3.47Å; A42-A46 PolarHBondContact O-N 2.78Å; A42-A53 WeakPolarHBondContact CB-O 3.48Å; A42-V56 HydrophobicContact CB-CB 4.36Å; A42-V56 HydrophobicContact CB-CG1 4.06Å; A42-L60 HydrophobicContact CB-CD1 4.03Å
43Q95.9Very high92.8Very high113 Ų11353.4 Ų53.453%0.52831%0.307SS..Hα-helixtrans-62.9-34174.3-74.1173.9-7.500112.3Q39 E40 P47 A53Q39-Q43 VanDerWaalsContact O-CG 3.32Å; Q39-Q43 WeakPolarHBondContact O-CG 3.48Å; Q39-Q43 PolarHBondContact O-N 3.14Å; E40-Q43 PolarHBondContact O-N 3.38Å; Q43-P47 WeakPolarHBondContact O-CD 3.38Å; Q43-A53 HydrophobicContact CG-CB 4.22Å
44H95.2Very high92.9Very high97 Ų9759.3 Ų59.345%0.44933%0.331SS..Hα-helixtrans-69.3-44.4175.2-178.1-105.6000112.6E17 E40 L41 A42 P47E17-H44 IonicContact OE1-CE1 3.45Å; E17-H44 PolarHBondContact OE1-CE1 3.35Å; E40-H44 PolarHBondContact O-N 3.3Å; L41-H44 WeakPolarHBondContact O-CB 3.48Å; L41-H44 PolarHBondContact O-N 3Å; A42-H44 VanDerWaalsContact C-N 3.27Å; A42-H44 PolarHBondContact O-N 3.24Å; H44-P47 WeakPolarHBondContact O-CD 3.41Å; H44-P47 WeakPolarHBondContact O-CG 3.15Å
45Y95.5Very high92.9Very high0 Ų063.8 Ų63.80%035%0.351CS..Hα-helixtrans-84.6-25.3-177.1-67.5-21.2000114.8L10 L13 L14 E17 L41 A42 L48 L49 L60L10-Y45 HydrophobicContact CD2-CD2 3.66Å; L10-Y45 HydrophobicContact CD2-CG 4.26Å; L13-Y45 HydrophobicContact CB-CE1 4.16Å; L13-Y45 HydrophobicContact CB-CE2 4.28Å; L13-Y45 HydrophobicContact CD1-CD1 4.03Å; L13-Y45 HydrophobicContact CD1-CD2 4.46Å; L13-Y45 HydrophobicContact CD1-CE1 4.43Å; L13-Y45 HydrophobicContact CD1-CG 4.05Å; L14-Y45 HydrophobicContact CD2-CE2 3.86Å; L14-Y45 HydrophobicContact CG-CE2 4.21Å; E17-Y45 VanDerWaalsContact OE2-CE1 3.26Å; E17-Y45 WeakPolarHBondContact OE2-CE1 3.02Å; E17-Y45 VanDerWaalsContact OE2-CZ 3.32Å; E17-Y45 PolarHBondContact OE2-OH 3.19Å; L41-Y45 HydrophobicContact CD1-CD2 4.32Å; L41-Y45 HydrophobicContact CD1-CE1 4.32Å; L41-Y45 HydrophobicContact CD1-CE2 3.73Å; L41-Y45 HydrophobicContact CD2-CE2 4.13Å; L41-Y45 HydrophobicContact CG-CD2 4.07Å; L41-Y45 HydrophobicContact CG-CE2 3.77Å; L41-Y45 PolarHBondContact O-N 3.17Å; A42-Y45 PolarHBondContact O-N 2.8Å; Y45-L48 HydrophobicContact CD1-CD1 4.07Å; Y45-L48 PolarHBondContact O-N 3.29Å; Y45-L48 VanDerWaalsContact O-N 3.16Å; Y45-L49 WeakPolarHBondContact O-CG 3.38Å; Y45-L49 PolarHBondContact O-N 2.92Å; Y45-L49 VanDerWaalsContact O-N 3.08Å; Y45-L60 HydrophobicContact CD2-CD1 4.44Å; Y45-L60 HydrophobicContact CD2-CD2 4.33Å; Y45-L60 HydrophobicContact CE2-CD2 4.44Å
46A94.3Very high93.3Very high10 Ų1060.1 Ų60.18%0.08332%0.32CS..Hα-helixtrans-48.2-53.3176.200000114.3A42 L48 L49 G50 L51 A53 V56A42-A46 WeakPolarHBondContact O-CB 3.47Å; A42-A46 PolarHBondContact O-N 2.78Å; A46-L48 VanDerWaalsContact C-N 3.33Å; A46-L48 PolarHBondContact O-N 3.4Å; A46-L49 PolarHBondContact O-N 3.29Å; A46-G50 PolarHBondContact O-N 3.23Å; A46-L51 WeakPolarHBondContact CB-O 3.47Å; A46-L51 PolarHBondContact O-N 2.83Å; A46-A53 HydrophobicContact CB-CB 4.27Å; A46-V56 HydrophobicContact CB-CG2 4.39Å
47P92.9Very high93.4Very high98 Ų9856.5 Ų56.564%0.63630%0.302SS*.Hα-helixtrans-66.6-32.8179.726-35.1000113Q43 H44 L49 G50Q43-P47 WeakPolarHBondContact O-CD 3.38Å; H44-P47 WeakPolarHBondContact O-CD 3.41Å; H44-P47 WeakPolarHBondContact O-CG 3.15Å; P47-L49 VanDerWaalsContact C-N 3.27Å; P47-L49 PolarHBondContact O-N 3.34Å; P47-G50 PolarHBondContact O-N 2.96Å
48L91.3Very high93.4Very high108 Ų10855.7 Ų55.757%0.56531%0.311SS*.Hα-helixtrans-66.9-31.5177.6-59.2179.4000112.1Y45 A46Y45-L48 HydrophobicContact CD1-CD1 4.07Å; Y45-L48 PolarHBondContact O-N 3.29Å; Y45-L48 VanDerWaalsContact O-N 3.16Å; A46-L48 VanDerWaalsContact C-N 3.33Å; A46-L48 PolarHBondContact O-N 3.4Å
49L89.8Confident93.4Very high32 Ų3255.6 Ų55.617%0.16831%0.311CS..Hα-helixtrans-96.5-12.4-178.1-61.3178.7000113.1L6 K9 L10 L13 Y45 A46 P47 L51 V56L6-L49 HydrophobicContact CD1-CD1 3.83Å; K9-L49 HydrophobicContact CB-CD2 3.96Å; K9-L49 HydrophobicContact CD-CD2 4.1Å; K9-L49 HydrophobicContact CG-CD2 4.5Å; L10-L49 HydrophobicContact CD2-CD1 3.56Å; L10-L49 HydrophobicContact CG-CD1 4.02Å; L13-L49 HydrophobicContact CD1-CD1 4.31Å; L13-L49 HydrophobicContact CD1-CD2 3.96Å; L13-L49 HydrophobicContact CD1-CG 4.2Å; Y45-L49 WeakPolarHBondContact O-CG 3.38Å; Y45-L49 PolarHBondContact O-N 2.92Å; Y45-L49 VanDerWaalsContact O-N 3.08Å; A46-L49 PolarHBondContact O-N 3.29Å; P47-L49 VanDerWaalsContact C-N 3.27Å; P47-L49 PolarHBondContact O-N 3.34Å; L49-L51 VanDerWaalsContact C-N 3.33Å; L49-L51 HydrophobicContact CB-CD1 4.26Å; L49-L51 HydrophobicContact CB-CG 4.36Å; L49-V56 HydrophobicContact CD1-CG2 4.19Å
50G88.1Confident93.5Very high28 Ų2851.7 Ų51.729%0.28929%0.293SS..THydrogen-bonded Turntrans6731.7-175.800000113.3A46 P47A46-G50 PolarHBondContact O-N 3.23Å; P47-G50 PolarHBondContact O-N 2.96Å
51L90.8Very high93.4Very high53 Ų5349.1 Ų49.128%0.27728%0.281SS..SBendtrans-123.7168.2-176.5-65.3174.5000111L6 A46 L49 V56L6-L51 HydrophobicContact CD1-CD1 3.5Å; L6-L51 VanDerWaalsContact CD1-CD1 3.5Å; L6-L51 HydrophobicContact CD2-CD1 4.12Å; L6-L51 HydrophobicContact CG-CD1 4.35Å; A46-L51 WeakPolarHBondContact CB-O 3.47Å; A46-L51 PolarHBondContact O-N 2.83Å; L49-L51 VanDerWaalsContact C-N 3.33Å; L49-L51 HydrophobicContact CB-CD1 4.26Å; L49-L51 HydrophobicContact CB-CG 4.36Å; L51-V56 HydrophobicContact CB-CG2 4.05Å
52S93.3Very high93.3Very high52 Ų5249.8 Ų49.836%0.36429%0.288SS..  trans-72.7150.6176.482.30000111.4E54 E55 V56S52-E54 PolarHBondContact O-N 3.49Å; S52-E55 PolarHBondContact N-OE2 3.49Å; S52-E55 PolarHBondContact O-N 3.3Å; S52-E55 WeakPolarHBondContact OG-CG 3.46Å; S52-E55 PolarHBondContact OG-N 3.12Å; S52-E55 VanDerWaalsContact OG-N 3.13Å; S52-V56 WeakPolarHBondContact O-CG2 3.48Å; S52-V56 PolarHBondContact O-N 3.16Å; S52-V56 VanDerWaalsContact O-N 3.08Å
53A93.6Very high93.2Very high25 Ų2550.5 Ų50.521%0.20729%0.291CS..Hα-helixtrans-61.4-28.3174.800000112.2A42 Q43 A46 G57A42-A53 WeakPolarHBondContact CB-O 3.48Å; Q43-A53 HydrophobicContact CG-CB 4.22Å; A46-A53 HydrophobicContact CB-CB 4.27Å; A53-G57 WeakPolarHBondContact O-CA 3.16Å; A53-G57 PolarHBondContact O-N 2.91Å
54E92.9Very high93.1Very high165 Ų16545.7 Ų45.777%0.77127%0.268SS*.Hα-helixtrans-67.9-46.8176.2-63.7-178.9174.100111.8S52 G57 G58S52-E54 PolarHBondContact O-N 3.49Å; E54-G57 PolarHBondContact O-N 3.35Å; E54-G58 PolarHBondContact O-N 3.49Å
55E91.6Very high93Very high107 Ų10743 Ų4350%0.526%0.263SS..Hα-helixtrans-62.9-44.3177.7-72.4177.3142.100111.2S52 A59S52-E55 PolarHBondContact N-OE2 3.49Å; S52-E55 PolarHBondContact O-N 3.3Å; S52-E55 WeakPolarHBondContact OG-CG 3.46Å; S52-E55 PolarHBondContact OG-N 3.12Å; S52-E55 VanDerWaalsContact OG-N 3.13Å; E55-A59 WeakPolarHBondContact O-CB 3.38Å; E55-A59 PolarHBondContact O-N 2.93Å; E55-A59 VanDerWaalsContact O-N 3.12Å
56V95.1Very high92.7Very high0 Ų045.2 Ų45.20%027%0.273CS..Hα-helixtrans-66-43.9177.1174.10000111.2L10 A42 A46 L49 L51 S52 A59 L60L10-V56 HydrophobicContact CD1-CG1 4.41Å; L10-V56 HydrophobicContact CD2-CG1 3.86Å; A42-V56 HydrophobicContact CB-CB 4.36Å; A42-V56 HydrophobicContact CB-CG1 4.06Å; A46-V56 HydrophobicContact CB-CG2 4.39Å; L49-V56 HydrophobicContact CD1-CG2 4.19Å; L51-V56 HydrophobicContact CB-CG2 4.05Å; S52-V56 WeakPolarHBondContact O-CG2 3.48Å; S52-V56 PolarHBondContact O-N 3.16Å; S52-V56 VanDerWaalsContact O-N 3.08Å; V56-A59 PolarHBondContact O-N 3Å; V56-L60 HydrophobicContact CG1-CD1 3.93Å; V56-L60 HydrophobicContact CG1-CG 4.24Å; V56-L60 WeakPolarHBondContact O-CB 3.47Å; V56-L60 WeakPolarHBondContact O-CG 3.17Å; V56-L60 PolarHBondContact O-N 2.85Å
57G94.5Very high92.6Very high15 Ų1545.9 Ų45.916%0.15528%0.279CS..Hα-helixtrans-60.7-46.1178.400000112.2A53 E54 A59 L60 E61A53-G57 WeakPolarHBondContact O-CA 3.16Å; A53-G57 PolarHBondContact O-N 2.91Å; E54-G57 PolarHBondContact O-N 3.35Å; G57-A59 VanDerWaalsContact C-N 3.32Å; G57-A59 PolarHBondContact O-N 3.3Å; G57-L60 PolarHBondContact O-N 3.2Å; G57-E61 PolarHBondContact O-N 3.49Å
58G92.9Very high92.6Very high49 Ų4941.9 Ų41.951%0.50525%0.252SS..Hα-helixtrans-60.8-39.5174.800000112.9E54 S62E54-G58 PolarHBondContact O-N 3.49Å; G58-S62 PolarHBondContact O-N 2.86Å
59A93.4Very high92.5Very high8 Ų839.4 Ų39.47%0.06625%0.247CC..Hα-helixtrans-70.4-39.8176.400000112.8L6 L10 E55 V56 G57 E61 S62 I63L6-A59 HydrophobicContact CD2-CB 3.65Å; L6-A59 HydrophobicContact CG-CB 3.84Å; L10-A59 HydrophobicContact CD1-CB 3.53Å; E55-A59 WeakPolarHBondContact O-CB 3.38Å; E55-A59 PolarHBondContact O-N 2.93Å; E55-A59 VanDerWaalsContact O-N 3.12Å; V56-A59 PolarHBondContact O-N 3Å; G57-A59 VanDerWaalsContact C-N 3.32Å; G57-A59 PolarHBondContact O-N 3.3Å; A59-E61 VanDerWaalsContact C-N 3.35Å; A59-S62 PolarHBondContact O-N 3.17Å; A59-I63 VanDerWaalsContact O-CG1 3.28Å; A59-I63 WeakPolarHBondContact O-CG1 2.78Å; A59-I63 PolarHBondContact O-N 2.89Å
60L95.8Very high92.6Very high0 Ų044.8 Ų44.80%027%0.266CS..Hα-helixtrans-61-43.9173.7-77.2172.2000111.2L10 L14 L21 L38 L41 A42 Y45 V56 G57 S62 I63 R64L10-L60 HydrophobicContact CB-CD2 4.49Å; L10-L60 HydrophobicContact CD1-CD2 4.31Å; L10-L60 HydrophobicContact CD1-CG 4.2Å; L10-L60 HydrophobicContact CD2-CD2 4.09Å; L10-L60 HydrophobicContact CD2-CG 4.33Å; L14-L60 HydrophobicContact CD1-CD2 4.15Å; L14-L60 HydrophobicContact CD2-CD2 4.27Å; L21-L60 HydrophobicContact CD1-CD2 4.05Å; L38-L60 HydrophobicContact CD2-CB 4.38Å; L41-L60 HydrophobicContact CB-CD1 4.19Å; L41-L60 HydrophobicContact CD2-CD1 4.07Å; L41-L60 HydrophobicContact CD2-CD2 4.12Å; L41-L60 HydrophobicContact CG-CD1 4.02Å; A42-L60 HydrophobicContact CB-CD1 4.03Å; Y45-L60 HydrophobicContact CD2-CD1 4.44Å; Y45-L60 HydrophobicContact CD2-CD2 4.33Å; Y45-L60 HydrophobicContact CE2-CD2 4.44Å; V56-L60 HydrophobicContact CG1-CD1 3.93Å; V56-L60 HydrophobicContact CG1-CG 4.24Å; V56-L60 WeakPolarHBondContact O-CB 3.47Å; V56-L60 WeakPolarHBondContact O-CG 3.17Å; V56-L60 PolarHBondContact O-N 2.85Å; G57-L60 PolarHBondContact O-N 3.2Å; L60-S62 PolarHBondContact O-N 3.26Å; L60-I63 PolarHBondContact O-N 2.69Å; L60-R64 WeakPolarHBondContact O-CB 3.26Å; L60-R64 PolarHBondContact O-N 3.31Å
61E94.2Very high92.8Very high53 Ų5344.7 Ų44.725%0.24826%0.264CS..Hα-helixtrans-63.2-42.5176.4177.251.8-15600111.7P33 L38 G57 A59 I63 R64 A65P33-E61 VanDerWaalsContact CB-OE2 3.26Å; P33-E61 WeakPolarHBondContact CB-OE2 3.49Å; L38-E61 WeakPolarHBondContact CD1-OE2 3.49Å; G57-E61 PolarHBondContact O-N 3.49Å; A59-E61 VanDerWaalsContact C-N 3.35Å; E61-I63 VanDerWaalsContact C-N 3.32Å; E61-I63 PolarHBondContact O-N 3.09Å; E61-R64 PolarHBondContact O-N 3.15Å; E61-R64 IonicContact OE1-CZ 3.55Å; E61-R64 IonicContact OE1-NE 3.65Å; E61-R64 PolarHBondContact OE1-NE 3.36Å; E61-R64 IonicContact OE1-NH2 2.87Å; E61-R64 PolarHBondContact OE1-NH2 2.94Å; E61-R64 WeakPolarHBondContact OE2-CD 3.41Å; E61-R64 IonicContact OE2-CZ 2.7Å; E61-R64 IonicContact OE2-NE 3.88Å; E61-R64 PolarHBondContact OE2-NE 3.01Å; E61-R64 IonicContact OE2-NH2 2.69Å; E61-A65 WeakPolarHBondContact O-CB 3.39Å; E61-A65 PolarHBondContact O-N 2.96Å
62S91.9Very high92.7Very high33 Ų3346.6 Ų46.623%0.23127%0.27CS..Hα-helixtrans-59.1-41.6173.6-176.70000112.2Q7 G58 A59 L60 Q66Q7-S62 PolarHBondContact NE2-OG 3.04Å; G58-S62 PolarHBondContact O-N 2.86Å; A59-S62 PolarHBondContact O-N 3.17Å; L60-S62 PolarHBondContact O-N 3.26Å; S62-Q66 WeakPolarHBondContact O-CB 3.39Å; S62-Q66 WeakPolarHBondContact O-CG 3.21Å; S62-Q66 PolarHBondContact O-N 3.04Å; S62-Q66 PolarHBondContact O-NE2 3.05Å; S62-Q66 PolarHBondContact OG-NE2 3.04Å; S62-Q66 VanDerWaalsContact OG-NE2 3.12Å
63I93.5Very high92.6Very high14 Ų1444.2 Ų44.27%0.07225%0.254CS..Hα-helixtrans-65.3-45.3175.9-65.3163.3000110.9Q7 L10 K11 L14 L21 A59 L60 E61 Q66 A67Q7-I63 HydrophobicContact CB-CD1 4.31Å; Q7-I63 HydrophobicContact CB-CG1 4.32Å; Q7-I63 HydrophobicContact CG-CD1 4.36Å; Q7-I63 HydrophobicContact CG-CG1 4.12Å; L10-I63 HydrophobicContact CB-CD1 3.63Å; L10-I63 HydrophobicContact CD1-CD1 4.14Å; K11-I63 HydrophobicContact CG-CD1 4.2Å; K11-I63 HydrophobicContact CG-CG2 4.34Å; L14-I63 HydrophobicContact CD1-CD1 4.46Å; L14-I63 HydrophobicContact CD1-CG2 4.32Å; L21-I63 HydrophobicContact CD1-CB 4.08Å; L21-I63 HydrophobicContact CD1-CG2 3.88Å; A59-I63 VanDerWaalsContact O-CG1 3.28Å; A59-I63 WeakPolarHBondContact O-CG1 2.78Å; A59-I63 PolarHBondContact O-N 2.89Å; L60-I63 PolarHBondContact O-N 2.69Å; E61-I63 VanDerWaalsContact C-N 3.32Å; E61-I63 PolarHBondContact O-N 3.09Å; I63-Q66 PolarHBondContact O-N 3.49Å; I63-A67 WeakPolarHBondContact O-CB 3.48Å; I63-A67 PolarHBondContact O-N 3.39Å
64R94.8Very high92.6Very high12 Ų1245.9 Ų45.95%0.04526%0.26CS..Hα-helixtrans-58.8-53.6177.9-174-158.271.983.50.9110.8L21 T27 D31 L60 E61 Q66 A67 V68L21-R64 HydrophobicContact CB-CB 3.92Å; L21-R64 HydrophobicContact CB-CG 3.97Å; L21-R64 HydrophobicContact CD1-CB 4.24Å; L21-R64 WeakPolarHBondContact O-CG 3.36Å; T27-R64 WeakPolarHBondContact OG1-CD 3.46Å; T27-R64 WeakPolarHBondContact OG1-CG 3.33Å; T27-R64 PolarHBondContact OG1-NH1 3.2Å; D31-R64 PolarHBondContact O-NH1 2.9Å; L60-R64 WeakPolarHBondContact O-CB 3.26Å; L60-R64 PolarHBondContact O-N 3.31Å; E61-R64 PolarHBondContact O-N 3.15Å; E61-R64 IonicContact OE1-CZ 3.55Å; E61-R64 IonicContact OE1-NE 3.65Å; E61-R64 PolarHBondContact OE1-NE 3.36Å; E61-R64 IonicContact OE1-NH2 2.87Å; E61-R64 PolarHBondContact OE1-NH2 2.94Å; E61-R64 WeakPolarHBondContact OE2-CD 3.41Å; E61-R64 IonicContact OE2-CZ 2.7Å; E61-R64 IonicContact OE2-NE 3.88Å; E61-R64 PolarHBondContact OE2-NE 3.01Å; E61-R64 IonicContact OE2-NH2 2.69Å; R64-Q66 VanDerWaalsContact C-N 3.29Å; R64-Q66 PolarHBondContact O-N 2.85Å; R64-A67 WeakPolarHBondContact O-CB 3.35Å; R64-A67 PolarHBondContact O-N 3.01Å; R64-V68 HydrophobicContact CG-CG2 4.45Å; R64-V68 WeakPolarHBondContact O-CG2 3.32Å; R64-V68 PolarHBondContact O-N 3.09Å
65A91.9Very high92.6Very high42 Ų4245 Ų4535%0.34725%0.249SC..Hα-helixtrans-56.8-43.1179.300000111.6E61 V68 A69E61-A65 WeakPolarHBondContact O-CB 3.39Å; E61-A65 PolarHBondContact O-N 2.96Å; A65-V68 PolarHBondContact O-N 3.24Å; A65-A69 VanDerWaalsContact O-CB 3.29Å; A65-A69 WeakPolarHBondContact O-CB 3.41Å; A65-A69 PolarHBondContact O-N 3.2Å
66Q90.7Very high92.6Very high46 Ų4641.9 Ų41.922%0.21524%0.238CC..Hα-helixtrans-61.8-42.5173.8-74.1171.849.800112.4S62 I63 R64 R70S62-Q66 WeakPolarHBondContact O-CB 3.39Å; S62-Q66 WeakPolarHBondContact O-CG 3.21Å; S62-Q66 PolarHBondContact O-N 3.04Å; S62-Q66 PolarHBondContact O-NE2 3.05Å; S62-Q66 PolarHBondContact OG-NE2 3.04Å; S62-Q66 VanDerWaalsContact OG-NE2 3.12Å; I63-Q66 PolarHBondContact O-N 3.49Å; R64-Q66 VanDerWaalsContact C-N 3.29Å; R64-Q66 PolarHBondContact O-N 2.85Å; Q66-R70 VanDerWaalsContact O-CB 3.26Å; Q66-R70 WeakPolarHBondContact O-CB 3.46Å; Q66-R70 PolarHBondContact O-N 3.01Å
67A92.1Very high92.6Very high23 Ų2345.1 Ų45.119%0.1925%0.252CS..Hα-helixtrans-67.9-41.2-179.900000112.3W22 I63 R64 R70 G71W22-A67 HydrophobicContact CB-CB 4.12Å; W22-A67 HydrophobicContact CD2-CB 4.26Å; W22-A67 HydrophobicContact CE3-CB 3.6Å; W22-A67 HydrophobicContact CZ3-CB 4.39Å; I63-A67 WeakPolarHBondContact O-CB 3.48Å; I63-A67 PolarHBondContact O-N 3.39Å; R64-A67 WeakPolarHBondContact O-CB 3.35Å; R64-A67 PolarHBondContact O-N 3.01Å; A67-R70 PolarHBondContact O-N 3.37Å; A67-G71 PolarHBondContact O-N 3.18Å
68V92.1Very high92.6Very high14 Ų1454.4 Ų54.49%0.08528%0.282CS..Hα-helixtrans-64.2-48.3175.1170.80000110.8W22 T27 D31 R64 A65 R70 G71 K72W22-V68 HydrophobicContact CB-CG2 4.03Å; T27-V68 HydrophobicContact CG2-CG2 3.95Å; D31-V68 HydrophobicContact CB-CG1 3.85Å; R64-V68 HydrophobicContact CG-CG2 4.45Å; R64-V68 WeakPolarHBondContact O-CG2 3.32Å; R64-V68 PolarHBondContact O-N 3.09Å; A65-V68 PolarHBondContact O-N 3.24Å; V68-R70 VanDerWaalsContact C-N 3.29Å; V68-R70 PolarHBondContact O-N 2.9Å; V68-G71 WeakPolarHBondContact O-CA 3.33Å; V68-G71 PolarHBondContact O-N 3.39Å; V68-K72 PolarHBondContact O-N 3.45Å
69A90.2Very high92.6Very high56 Ų5659.4 Ų59.446%0.46329%0.292SS..Hα-helixtrans-59.1-41175.800000111.9A65 G71 K72 G73A65-A69 VanDerWaalsContact O-CB 3.29Å; A65-A69 WeakPolarHBondContact O-CB 3.41Å; A65-A69 PolarHBondContact O-N 3.2Å; A69-G71 VanDerWaalsContact C-N 3.33Å; A69-G71 PolarHBondContact O-N 2.84Å; A69-K72 PolarHBondContact O-N 2.8Å; A69-G73 PolarHBondContact O-N 3.48Å
70R91.3Very high92.6Very high146 Ų14662.2 Ų62.255%0.55131%0.309SS*.Hα-helixtrans-63.5-39173.5-166.7178.4-1751721.5112.1Q66 A67 V68 G73 N74 H150Q66-R70 VanDerWaalsContact O-CB 3.26Å; Q66-R70 WeakPolarHBondContact O-CB 3.46Å; Q66-R70 PolarHBondContact O-N 3.01Å; A67-R70 PolarHBondContact O-N 3.37Å; V68-R70 VanDerWaalsContact C-N 3.29Å; V68-R70 PolarHBondContact O-N 2.9Å; R70-G73 PolarHBondContact O-N 2.91Å; R70-N74 VanDerWaalsContact O-CG 3.32Å; R70-N74 PolarHBondContact O-N 2.7Å; R70-N74 PolarHBondContact O-ND2 2.93Å; R70-H150 WeakPolarHBondContact CG-NE2 3.36Å; R70-H150 PolarHBondContact O-NE2 3.22Å
71G91.3Very high92.4Very high25 Ų2566 Ų6626%0.25834%0.335SS..Hα-helixtrans-59.2-45.3172.900000112.4A67 V68 A69 N74 R75A67-G71 PolarHBondContact O-N 3.18Å; V68-G71 WeakPolarHBondContact O-CA 3.33Å; V68-G71 PolarHBondContact O-N 3.39Å; A69-G71 VanDerWaalsContact C-N 3.33Å; A69-G71 PolarHBondContact O-N 2.84Å; G71-N74 PolarHBondContact O-N 2.96Å; G71-R75 PolarHBondContact O-N 3.27Å
72K90Very high92.4Very high93 Ų9364.9 Ų64.940%0.40433%0.332SS..Hα-helixtrans-61-51.2174.1-67.5-178.7-178.2-171.20111.4D31 V68 A69 N74 R75 T76D31-K72 WeakPolarHBondContact OD2-CE 3.33Å; D31-K72 IonicContact OD2-NZ 3.42Å; D31-K72 PolarHBondContact OD2-NZ 2.79Å; V68-K72 PolarHBondContact O-N 3.45Å; A69-K72 PolarHBondContact O-N 2.8Å; K72-N74 VanDerWaalsContact C-N 3.26Å; K72-N74 PolarHBondContact O-N 3.16Å; K72-R75 WeakPolarHBondContact O-CB 3.23Å; K72-R75 PolarHBondContact O-N 3.33Å; K72-T76 PolarHBondContact O-N 3.45Å; K72-T76 PolarHBondContact O-OG1 3.33Å; K72-T76 VanDerWaalsContact O-OG1 3.12Å
73G90.8Very high92.6Very high3 Ų363.3 Ų63.33%0.03132%0.321CS..Hα-helixtrans-57.6-36.5177.500000113.2A69 R70 F77A69-G73 PolarHBondContact O-N 3.48Å; R70-G73 PolarHBondContact O-N 2.91Å; G73-F77 VanDerWaalsContact O-CB 3.29Å; G73-F77 WeakPolarHBondContact O-CB 3.41Å; G73-F77 PolarHBondContact O-N 3.14Å
74N93.3Very high92.6Very high60 Ų6063.2 Ų63.232%0.32132%0.321SS..Hα-helixtrans-65.5-37.6173.3-76.5-37.5000113.5R70 G71 K72 R78 N149 H150R70-N74 VanDerWaalsContact O-CG 3.32Å; R70-N74 PolarHBondContact O-N 2.7Å; R70-N74 PolarHBondContact O-ND2 2.93Å; G71-N74 PolarHBondContact O-N 2.96Å; K72-N74 VanDerWaalsContact C-N 3.26Å; K72-N74 PolarHBondContact O-N 3.16Å; N74-R78 VanDerWaalsContact O-CG 3.29Å; N74-R78 WeakPolarHBondContact O-CG 3.46Å; N74-R78 PolarHBondContact O-N 3.4Å; N74-R78 VanDerWaalsContact O-N 3.17Å; N74-N149 PolarHBondContact OD1-ND2 3.25Å; N74-N149 VanDerWaalsContact OD1-ND2 3.16Å; N74-H150 PolarHBondContact OD1-CD2 2.9Å; N74-H150 PolarHBondContact OD1-NE2 3.44Å
75R92.4Very high92.6Very high145 Ų14562.7 Ų62.755%0.54732%0.319SS..Hα-helixtrans-67.2-50.2175.2-64.8179.1-153169.76.9109.9G71 K72 F77 R78 E79G71-R75 PolarHBondContact O-N 3.27Å; K72-R75 WeakPolarHBondContact O-CB 3.23Å; K72-R75 PolarHBondContact O-N 3.33Å; R75-F77 VanDerWaalsContact C-N 3.29Å; R75-F77 PolarHBondContact O-N 2.94Å; R75-R78 PolarHBondContact O-N 3.27Å; R75-E79 WeakPolarHBondContact O-CG 3.39Å; R75-E79 PolarHBondContact O-N 3.03Å
76T92.3Very high92.5Very high42 Ų4262 Ų6226%0.25831%0.309SS..Hα-helixtrans-54.7-45.5176.5-50.60000111.5K72 R78 E79 T80 V82K72-T76 PolarHBondContact O-N 3.45Å; K72-T76 PolarHBondContact O-OG1 3.33Å; K72-T76 VanDerWaalsContact O-OG1 3.12Å; T76-R78 PolarHBondContact O-N 3.03Å; T76-E79 PolarHBondContact O-N 2.88Å; T76-T80 WeakPolarHBondContact O-CB 3.39Å; T76-T80 PolarHBondContact O-N 3.35Å; T76-T80 PolarHBondContact O-OG1 3.24Å; T76-V82 HydrophobicContact CG2-CB 4.39Å
77F94.9Very high92.5Very high68 Ų6860.1 Ų60.130%0.29830%0.3SS..Hα-helixtrans-62.8-40178.2-177.4-111.2000112.7G73 R75 S81 V82 A83 L107 N149G73-F77 VanDerWaalsContact O-CB 3.29Å; G73-F77 WeakPolarHBondContact O-CB 3.41Å; G73-F77 PolarHBondContact O-N 3.14Å; R75-F77 VanDerWaalsContact C-N 3.29Å; R75-F77 PolarHBondContact O-N 2.94Å; F77-S81 WeakPolarHBondContact O-CA 3.49Å; F77-S81 PolarHBondContact O-N 3.41Å; F77-V82 VanDerWaalsContact CA-O 3.22Å; F77-V82 WeakPolarHBondContact CA-O 3.36Å; F77-V82 WeakPolarHBondContact CB-O 3.44Å; F77-V82 PolarHBondContact N-O 3.02Å; F77-A83 HydrophobicContact CD2-CB 3.84Å; F77-A83 HydrophobicContact CE2-CB 3.93Å; F77-L107 HydrophobicContact CE2-CD1 3.79Å; F77-L107 HydrophobicContact CE2-CG 4.38Å; F77-L107 HydrophobicContact CZ-CD1 4Å; F77-N149 HydrophobicContact CD1-CB 3.93Å; F77-N149 HydrophobicContact CD2-CB 4.1Å; F77-N149 HydrophobicContact CE1-CB 4.12Å; F77-N149 HydrophobicContact CE2-CB 4.29Å; F77-N149 HydrophobicContact CG-CB 3.91Å; F77-N149 HydrophobicContact CZ-CB 4.3Å
78R94.1Very high92.3Very high211 Ų21160.1 Ų60.180%0.79630%0.297SS*.Hα-helixtrans-69.2-37177.5-73.5173.1-176.2177.21.4113N74 R75 T76N74-R78 VanDerWaalsContact O-CG 3.29Å; N74-R78 WeakPolarHBondContact O-CG 3.46Å; N74-R78 PolarHBondContact O-N 3.4Å; N74-R78 VanDerWaalsContact O-N 3.17Å; R75-R78 PolarHBondContact O-N 3.27Å; T76-R78 PolarHBondContact O-N 3.03Å
79E93.9Very high92.1Very high153 Ų15359.9 Ų59.972%0.71530%0.295SS*.Hα-helixtrans-84.3-34-174.9-70.2169.1-167.900112.6R75 T76R75-E79 WeakPolarHBondContact O-CG 3.39Å; R75-E79 PolarHBondContact O-N 3.03Å; T76-E79 PolarHBondContact O-N 2.88Å
80T92.8Very high91.9Very high67 Ų6758.1 Ų58.141%0.41128%0.279SS..Hα-helixtrans-126.6-4.1-168.169.50000114.6T76 V82T76-T80 WeakPolarHBondContact O-CB 3.39Å; T76-T80 PolarHBondContact O-N 3.35Å; T76-T80 PolarHBondContact O-OG1 3.24Å; T80-V82 PolarHBondContact O-N 3.41Å; T80-V82 WeakPolarHBondContact OG1-CB 3.45Å; T80-V82 WeakPolarHBondContact OG1-CG2 3.45Å; T80-V82 PolarHBondContact OG1-N 2.71Å
81S91.4Very high91.2Very high80 Ų8058 Ų5856%0.55928%0.279SS*.  trans59.119.5-172.8-57.40000114.7F77F77-S81 WeakPolarHBondContact O-CA 3.49Å; F77-S81 PolarHBondContact O-N 3.41Å
82V94.6Very high90.5Very high29 Ų2963.8 Ų63.818%0.17630%0.299CS..EExtended strand (participates in β ladder)trans-92.4116.8174.5179.60000109.5T76 F77 T80 E104 R106T76-V82 HydrophobicContact CG2-CB 4.39Å; F77-V82 VanDerWaalsContact CA-O 3.22Å; F77-V82 WeakPolarHBondContact CA-O 3.36Å; F77-V82 WeakPolarHBondContact CB-O 3.44Å; F77-V82 PolarHBondContact N-O 3.02Å; T80-V82 PolarHBondContact O-N 3.41Å; T80-V82 WeakPolarHBondContact OG1-CB 3.45Å; T80-V82 WeakPolarHBondContact OG1-CG2 3.45Å; T80-V82 PolarHBondContact OG1-N 2.71Å; V82-E104 HydrophobicContact CG1-CB 3.79Å; V82-R106 HydrophobicContact CG2-CG 4.12Å
83A95.3Very high90Very high0 Ų060 Ų600%029%0.285CS..EExtended strand (participates in β ladder)trans-88.5142.3179.900000111.2F77 E104 T105 L107 N149F77-A83 HydrophobicContact CD2-CB 3.84Å; F77-A83 HydrophobicContact CE2-CB 3.93Å; A83-E104 CarbonylContact O-C 3.48Å; A83-E104 VanDerWaalsContact O-CA 3.29Å; A83-E104 WeakPolarHBondContact O-CA 3.33Å; A83-T105 WeakPolarHBondContact CA-O 3.49Å; A83-T105 WeakPolarHBondContact CB-O 3.35Å; A83-T105 PolarHBondContact N-O 2.88Å; A83-T105 PolarHBondContact O-N 3.4Å; A83-T105 VanDerWaalsContact O-O 3.14Å; A83-L107 HydrophobicContact CB-CD1 3.97Å; A83-L107 HydrophobicContact CB-CD2 3.58Å; A83-L107 HydrophobicContact CB-CG 3.66Å; A83-N149 WeakPolarHBondContact CA-OD1 3.5Å; A83-N149 HydrophobicContact CB-CB 4.17Å
84T95.1Very high89.1Confident13 Ų1363.1 Ų63.18%0.0830%0.297CS..EExtended strand (participates in β ladder)trans-96.9116.6172.2-46.70000109.3H102 E104 N149 H150T84-H102 HydrophobicContact CG2-CB 4.05Å; T84-E104 HydrophobicContact CG2-CG 4.37Å; T84-N149 PolarHBondContact N-OD1 3.38Å; T84-N149 PolarHBondContact O-OD1 3.13Å; T84-H150 WeakPolarHBondContact O-CA 3.3Å; T84-H150 PolarHBondContact O-N 3.01Å
85L93.7Very high87.6Confident0 Ų068.9 Ų68.90%032%0.32CS..EExtended strand (participates in β ladder)trans-97.9143.9177.1-53.7-177.4000110.6L87 H102 L103 T105 L114 V147 V153L85-L87 HydrophobicContact CB-CD2 4.49Å; L85-H102 CarbonylContact O-C 3.08Å; L85-H102 WeakPolarHBondContact O-CA 3.45Å; L85-L103 PolarHBondContact N-O 3.19Å; L85-L103 PolarHBondContact O-N 2.9Å; L85-T105 HydrophobicContact CD1-CG2 3.58Å; L85-T105 HydrophobicContact CG-CG2 4.08Å; L85-L114 HydrophobicContact CD1-CD1 4.37Å; L85-L114 HydrophobicContact CD1-CD2 3.71Å; L85-V147 HydrophobicContact CD1-CG1 4.26Å; L85-V147 HydrophobicContact CD2-CG1 3.67Å; L85-V153 HydrophobicContact CD1-CG2 4.5Å
86E91.2Very high85.8Confident29 Ų2965.5 Ų65.514%0.13633%0.33CS..EExtended strand (participates in β ladder)trans-95114.8170.1-177.1179.7162.900108.1K100 S151 K152 V153E86-K100 VanDerWaalsContact CD-NZ 3.33Å; E86-K100 HydrophobicContact CG-CB 4.38Å; E86-K100 HydrophobicContact CG-CD 4.49Å; E86-K100 WeakPolarHBondContact OE1-CD 3.19Å; E86-K100 WeakPolarHBondContact OE1-CE 3.37Å; E86-K100 IonicContact OE1-NZ 2.71Å; E86-K100 PolarHBondContact OE1-NZ 2.94Å; E86-K100 IonicContact OE2-NZ 3.54Å; E86-K100 PolarHBondContact OE2-NZ 3.05Å; E86-S151 PolarHBondContact N-O 3.43Å; E86-K152 HydrophobicContact CB-CG 4.12Å; E86-K152 HydrophobicContact CG-CG 4.38Å; E86-K152 CarbonylContact O-C 3.48Å; E86-K152 WeakPolarHBondContact O-CA 3.34Å; E86-V153 PolarHBondContact O-N 3.32Å
87L90.8Very high84.1Confident6 Ų666.5 Ų66.53%0.03134%0.339CS..EExtended strand (participates in β ladder)trans-93.9126.3-179.4-59.1-175.9000110.7L85 L89 T101 L103 I118 F122 V153 V155L85-L87 HydrophobicContact CB-CD2 4.49Å; L87-L89 HydrophobicContact CB-CD2 4.47Å; L87-T101 HydrophobicContact CB-CG2 4.18Å; L87-T101 HydrophobicContact CD1-CG2 4.35Å; L87-T101 PolarHBondContact N-O 2.82Å; L87-L103 HydrophobicContact CD1-CB 3.76Å; L87-L103 HydrophobicContact CD1-CD2 4.25Å; L87-L103 HydrophobicContact CG-CB 4.16Å; L87-I118 HydrophobicContact CD1-CD1 3.83Å; L87-I118 HydrophobicContact CD1-CG1 3.8Å; L87-I118 HydrophobicContact CD2-CD1 3.91Å; L87-F122 HydrophobicContact CD1-CE2 3.96Å; L87-V153 WeakPolarHBondContact CA-O 3.47Å; L87-V153 HydrophobicContact CD2-CB 4.16Å; L87-V155 HydrophobicContact CB-CG2 4.35Å; L87-V155 HydrophobicContact CD2-CG2 4.33Å
88L87.8Confident82.3Confident23 Ų2372 Ų7212%0.1236%0.362CS..EExtended strand (participates in β ladder)trans-95.299.5166.8178.874.5000108.8V153 M154 V155 A286 C289L88-V153 PolarHBondContact N-O 3.12Å; L88-M154 HydrophobicContact CD2-CB 4.35Å; L88-M154 HydrophobicContact CD2-CG 4.09Å; L88-M154 HydrophobicContact CD2-SD 4.44Å; L88-V155 PolarHBondContact O-N 3.2Å; L88-A286 VanDerWaalsContact CD2-CA 3.42Å; L88-A286 HydrophobicContact CD2-CB 3.34Å; L88-C289 HydrophobicContact CD2-CB 4.14Å
89L87.8Confident80.8Confident8 Ų866.8 Ų66.84%0.04235%0.354CS..  trans-78.9153.3-179.9-62.8174.6000112.5L87 A93 K94 T101 F122 L124 V155L87-L89 HydrophobicContact CB-CD2 4.47Å; L89-A93 HydrophobicContact CB-CB 4.2Å; L89-A93 HydrophobicContact CD1-CB 4.47Å; L89-K94 HydrophobicContact CB-CG 4.45Å; L89-K94 WeakPolarHBondContact O-CE 3.49Å; L89-T101 HydrophobicContact CD1-CG2 4Å; L89-T101 WeakPolarHBondContact CD1-OG1 3.28Å; L89-T101 HydrophobicContact CG-CG2 4.5Å; L89-F122 HydrophobicContact CD1-CD1 3.42Å; L89-F122 VanDerWaalsContact CD1-CD1 3.42Å; L89-F122 HydrophobicContact CD1-CE1 3.59Å; L89-F122 HydrophobicContact CD1-CG 3.97Å; L89-F122 HydrophobicContact CD1-CZ 4.25Å; L89-F122 HydrophobicContact CD2-CD1 4.32Å; L89-F122 HydrophobicContact CD2-CD2 4.07Å; L89-F122 HydrophobicContact CD2-CE2 4.45Å; L89-F122 HydrophobicContact CD2-CG 4.01Å; L89-L124 HydrophobicContact CD2-CD1 4.21Å; L89-V155 HydrophobicContact CD2-CB 4.18Å; L89-V155 HydrophobicContact CD2-CG1 4.43Å; L89-V155 HydrophobicContact CD2-CG2 3.99Å
90P84.4Confident80Confident19 Ų1963 Ų6312%0.12334%0.335CS..  trans-55150.7167.9-21.832.2000111.5E92 A93 K94 L124 V155 K157P90-E92 PolarHBondContact O-N 3.39Å; P90-E92 VanDerWaalsContact O-N 3.12Å; P90-A93 PolarHBondContact O-N 3.33Å; P90-K94 PolarHBondContact O-N 3.23Å; P90-L124 HydrophobicContact CG-CD1 4.48Å; P90-V155 WeakPolarHBondContact CD-O 3.4Å; P90-V155 WeakPolarHBondContact CG-O 3.3Å; P90-K157 HydrophobicContact CB-CB 4.28Å; P90-K157 HydrophobicContact CG-CB 3.78Å
91R78.3Confident79.7Confident144 Ų14461.5 Ų61.554%0.54333%0.326SS..G310 helixtrans-49.9-41.2-178.5-78.1178.4166.2158.20.2113.2A93 K94 E285R91-A93 VanDerWaalsContact C-N 3.33Å; R91-A93 PolarHBondContact O-N 2.84Å; R91-K94 WeakPolarHBondContact O-CB 3.35Å; R91-K94 PolarHBondContact O-N 2.78Å; R91-E285 IonicContact CZ-OE1 3.37Å; R91-E285 IonicContact NE-OE1 3.79Å; R91-E285 PolarHBondContact NE-OE1 2.87Å; R91-E285 IonicContact NE-OE2 2.66Å; R91-E285 VanDerWaalsContact NH2-CD 3.29Å; R91-E285 IonicContact NH2-OE1 2.7Å; R91-E285 PolarHBondContact NH2-OE1 3.4Å
92E76.9Confident79.6Confident147 Ų14762.1 Ų62.169%0.68732%0.32SS*.G310 helixtrans-65.6-32.1-179-61.7171.5-175.800113.5P90 K157P90-E92 PolarHBondContact O-N 3.39Å; P90-E92 VanDerWaalsContact O-N 3.12Å; E92-K157 IonicContact OE2-NZ 2.63Å; E92-K157 PolarHBondContact OE2-NZ 2.98Å
93A78.5Confident79.5Confident13 Ų1361.2 Ų61.211%0.10731%0.314CS..G310 helixtrans-86.2-11.7-179.300000113L89 P90 R91 K95 L124L89-A93 HydrophobicContact CB-CB 4.2Å; L89-A93 HydrophobicContact CD1-CB 4.47Å; P90-A93 PolarHBondContact O-N 3.33Å; R91-A93 VanDerWaalsContact C-N 3.33Å; R91-A93 PolarHBondContact O-N 2.84Å; A93-K95 PolarHBondContact O-N 2.7Å; A93-L124 HydrophobicContact CB-CD1 4.2Å; A93-L124 HydrophobicContact CB-CD2 3.9Å; A93-L124 HydrophobicContact CB-CG 4.25Å
94K72Confident79.5Confident68 Ų6865.7 Ų65.730%0.29634%0.335SS..SBendtrans-72.594.8169.6-59.9178.2-168.5175.20107.1L89 P90 R91 G96 E285L89-K94 HydrophobicContact CB-CG 4.45Å; L89-K94 WeakPolarHBondContact O-CE 3.49Å; P90-K94 PolarHBondContact O-N 3.23Å; R91-K94 WeakPolarHBondContact O-CB 3.35Å; R91-K94 PolarHBondContact O-N 2.78Å; K94-G96 PolarHBondContact O-N 3.2Å; K94-E285 IonicContact NZ-OE2 3.32Å; K94-E285 PolarHBondContact NZ-OE2 2.8Å; K94-E285 VanDerWaalsContact NZ-OE2 3.12Å
95K62.4Low79.5Confident182 Ų18265.9 Ų65.979%0.79134%0.336SS*.  trans-63.848.7178.1-66.7-178.8178.6173.50113.5A93 S97A93-K95 PolarHBondContact O-N 2.7Å; K95-S97 PolarHBondContact O-N 2.62Å
96G54.8Low79.5Confident74 Ų7472.6 Ų72.676%0.76336%0.361SS*.SBendtrans67.2-6.1-173.700000115.1K94 K98K94-G96 PolarHBondContact O-N 3.2Å; G96-K98 PolarHBondContact O-N 3.02Å
97S55.8Low79.7Confident62 Ų6272.1 Ų72.143%0.43436%0.36SS..  trans-75.1125.2179.7-166.50000111.3K95 T99K95-S97 PolarHBondContact O-N 2.62Å; S97-T99 PolarHBondContact O-N 3.2Å; S97-T99 PolarHBondContact OG-N 3.33Å; S97-T99 PolarHBondContact OG-OG1 2.88Å
98K57.1Low79.8Confident183 Ų18375.8 Ų75.880%0.79638%0.38SS*.  trans-75-7.8170.3-62.9-179.3-178.1175.70112.3G96G96-K98 PolarHBondContact O-N 3.02Å
99T63.3Low80.1Confident102 Ų10275.9 Ų75.963%0.62638%0.381SS*.SBendtrans-78.1137.6-177.362.80000111.3S97 T101S97-T99 PolarHBondContact O-N 3.2Å; S97-T99 PolarHBondContact OG-N 3.33Å; S97-T99 PolarHBondContact OG-OG1 2.88Å; T99-T101 PolarHBondContact O-N 3.4Å
100K75.8Confident80.5Confident74 Ų7477.5 Ų77.532%0.32239%0.392SS..PPolyproline II helixtrans-58.5129.3171.2-67.2170.1163.2-147.30110.7E86 H102E86-K100 VanDerWaalsContact CD-NZ 3.33Å; E86-K100 HydrophobicContact CG-CB 4.38Å; E86-K100 HydrophobicContact CG-CD 4.49Å; E86-K100 WeakPolarHBondContact OE1-CD 3.19Å; E86-K100 WeakPolarHBondContact OE1-CE 3.37Å; E86-K100 IonicContact OE1-NZ 2.71Å; E86-K100 PolarHBondContact OE1-NZ 2.94Å; E86-K100 IonicContact OE2-NZ 3.54Å; E86-K100 PolarHBondContact OE2-NZ 3.05Å; K100-H102 PolarHBondContact O-ND1 3.18Å; K100-H102 VanDerWaalsContact O-ND1 3.11Å
101T86.9Confident80.9Confident35 Ų3576.8 Ų76.822%0.21539%0.387CS..EExtended strand (participates in β ladder)trans-78130.2175.1-55.90000109.3L87 L89 T99 F122L87-T101 HydrophobicContact CB-CG2 4.18Å; L87-T101 HydrophobicContact CD1-CG2 4.35Å; L87-T101 PolarHBondContact N-O 2.82Å; L89-T101 HydrophobicContact CD1-CG2 4Å; L89-T101 WeakPolarHBondContact CD1-OG1 3.28Å; L89-T101 HydrophobicContact CG-CG2 4.5Å; T99-T101 PolarHBondContact O-N 3.4Å; T101-F122 HydrophobicContact CG2-CE1 3.56Å; T101-F122 HydrophobicContact CG2-CE2 4.1Å; T101-F122 HydrophobicContact CG2-CZ 3.19Å
102H89.8Confident81.6Confident94 Ų9473.3 Ų73.344%0.43538%0.377SS..EExtended strand (participates in β ladder)trans-120.4146.9174.5-61.186.9000110.3T84 L85 K100T84-H102 HydrophobicContact CG2-CB 4.05Å; L85-H102 CarbonylContact O-C 3.08Å; L85-H102 WeakPolarHBondContact O-CA 3.45Å; K100-H102 PolarHBondContact O-ND1 3.18Å; K100-H102 VanDerWaalsContact O-ND1 3.11Å
103L92.8Very high82.4Confident10 Ų1071.5 Ų71.55%0.05237%0.369CS..EExtended strand (participates in β ladder)trans-137.3133.8176.1-168.180.6000110.2L85 L87 L114 R117 I118 D121L85-L103 PolarHBondContact N-O 3.19Å; L85-L103 PolarHBondContact O-N 2.9Å; L87-L103 HydrophobicContact CD1-CB 3.76Å; L87-L103 HydrophobicContact CD1-CD2 4.25Å; L87-L103 HydrophobicContact CG-CB 4.16Å; L103-L114 HydrophobicContact CD2-CD1 3.29Å; L103-R117 HydrophobicContact CD2-CG 4.49Å; L103-I118 HydrophobicContact CD2-CD1 4.38Å; L103-I118 HydrophobicContact CD2-CG1 3.8Å; L103-D121 VanDerWaalsContact CD1-OD2 3.32Å; L103-D121 WeakPolarHBondContact CD1-OD2 3.28Å
104E94.5Very high83.1Confident94 Ų9471 Ų7144%0.43936%0.364SS..EExtended strand (participates in β ladder)trans-95.9127.9179.2-68.1-174.8164.300111.1V82 A83 T84 R117V82-E104 HydrophobicContact CG1-CB 3.79Å; A83-E104 CarbonylContact O-C 3.48Å; A83-E104 VanDerWaalsContact O-CA 3.29Å; A83-E104 WeakPolarHBondContact O-CA 3.33Å; T84-E104 HydrophobicContact CG2-CG 4.37Å; E104-R117 PolarHBondContact O-NH1 2.92Å
105T95.3Very high84Confident17 Ų1768.6 Ų68.610%0.10436%0.355CS..EExtended strand (participates in β ladder)trans-150.1154.1177.8-173.70000110.8A83 L85 L114 L142A83-T105 WeakPolarHBondContact CA-O 3.49Å; A83-T105 WeakPolarHBondContact CB-O 3.35Å; A83-T105 PolarHBondContact N-O 2.88Å; A83-T105 PolarHBondContact O-N 3.4Å; A83-T105 VanDerWaalsContact O-O 3.14Å; L85-T105 HydrophobicContact CD1-CG2 3.58Å; L85-T105 HydrophobicContact CG-CG2 4.08Å; T105-L114 HydrophobicContact CG2-CD1 4.17Å; T105-L142 HydrophobicContact CG2-CD1 3.84Å
106R94.7Very high85.4Confident140 Ų14063.2 Ų63.253%0.52834%0.335SS..EExtended strand (participates in β ladder)trans-71.7156.8165.6-62-175.5171.9175.8-0.4109.9V82 D108 V109 L142V82-R106 HydrophobicContact CG2-CG 4.12Å; R106-D108 WeakPolarHBondContact CB-OD1 3.5Å; R106-V109 HydrophobicContact CB-CG1 4.18Å; R106-V109 VanDerWaalsContact O-CG2 3.3Å; R106-V109 WeakPolarHBondContact O-CG2 3.42Å; R106-L142 WeakPolarHBondContact O-CD1 3.32Å
107L94.1Very high87.2Confident20 Ų2064.7 Ų64.711%0.10532%0.318CS..SBendtrans-96.3-13.2-177.6-60.8179.4000113.6F77 A83 V109 L142 D143 V147F77-L107 HydrophobicContact CE2-CD1 3.79Å; F77-L107 HydrophobicContact CE2-CG 4.38Å; F77-L107 HydrophobicContact CZ-CD1 4Å; A83-L107 HydrophobicContact CB-CD1 3.97Å; A83-L107 HydrophobicContact CB-CD2 3.58Å; A83-L107 HydrophobicContact CB-CG 3.66Å; L107-V109 VanDerWaalsContact C-N 3.29Å; L107-L142 HydrophobicContact CD2-CB 4.35Å; L107-L142 WeakPolarHBondContact O-CB 3.46Å; L107-L142 PolarHBondContact O-N 3.31Å; L107-D143 HydrophobicContact CB-CB 4.11Å; L107-D143 PolarHBondContact O-N 2.8Å; L107-V147 HydrophobicContact CD2-CB 4.42Å; L107-V147 HydrophobicContact CD2-CG1 3.84Å
108D93.8Very high88.9Confident83 Ų8361.8 Ų61.844%0.44430%0.297SS..SBendtrans-860.6179.662.1-24.3000113.8R106 R141R106-D108 WeakPolarHBondContact CB-OD1 3.5Å; D108-R141 PolarHBondContact O-NE 3.33Å
109V94.2Very high90.5Very high24 Ų2454.3 Ų54.315%0.14527%0.269CS..SBendtrans-88151.8177.9-57.90000111.2R106 L107 R141 L142R106-V109 HydrophobicContact CB-CG1 4.18Å; R106-V109 VanDerWaalsContact O-CG2 3.3Å; R106-V109 WeakPolarHBondContact O-CG2 3.42Å; L107-V109 VanDerWaalsContact C-N 3.29Å; V109-R141 WeakPolarHBondContact O-CA 3.2Å; V109-L142 HydrophobicContact CG2-CD1 3.83Å; V109-L142 HydrophobicContact CG2-CG 4.47Å; V109-L142 PolarHBondContact O-N 3.48Å; V109-L142 VanDerWaalsContact O-N 3.14Å
110P94.9Very high91.7Very high43 Ų4356.5 Ų56.528%0.27927%0.273SS..BIsolated β-bridgetrans-62.9147.417127.5-35000111.1Q112 Q113 R140P110-Q112 PolarHBondContact O-N 2.72Å; P110-Q113 HydrophobicContact CG-CG 4.01Å; P110-Q113 PolarHBondContact O-N 2.58Å; P110-R140 WeakPolarHBondContact CA-O 3.12Å
111L93.7Very high92.4Very high4 Ų456.7 Ų56.72%0.02128%0.277CS..Hα-helixtrans-55.1-34.5178.4-179.379.5000112.4Q113 L114 V115 L129 L136 Q137 P138 R140 L142L111-Q113 VanDerWaalsContact C-N 3.26Å; L111-Q113 PolarHBondContact O-N 3.09Å; L111-L114 HydrophobicContact CD1-CD2 4.45Å; L111-L114 WeakPolarHBondContact O-CA 3.46Å; L111-L114 WeakPolarHBondContact O-CB 3.18Å; L111-L114 PolarHBondContact O-N 2.73Å; L111-V115 HydrophobicContact CG-CG2 4.18Å; L111-V115 PolarHBondContact O-N 3.25Å; L111-L129 HydrophobicContact CD1-CB 4.29Å; L111-L129 HydrophobicContact CD1-CD1 3.73Å; L111-L129 HydrophobicContact CD1-CG 4.43Å; L111-L129 HydrophobicContact CG-CD1 4.47Å; L111-L136 HydrophobicContact CD1-CB 3.8Å; L111-L136 HydrophobicContact CD1-CD1 3.68Å; L111-L136 HydrophobicContact CD1-CG 4.39Å; L111-L136 VanDerWaalsContact CD2-C 3.44Å; L111-L136 HydrophobicContact CD2-CB 3.38Å; L111-L136 HydrophobicContact CG-CB 4.24Å; L111-Q137 VanDerWaalsContact CB-O 3.26Å; L111-Q137 WeakPolarHBondContact CB-O 3.33Å; L111-Q137 VanDerWaalsContact CD2-O 3.25Å; L111-Q137 WeakPolarHBondContact CD2-O 3.4Å; L111-P138 PolarHBondContact N-O 2.86Å; L111-R140 PolarHBondContact N-O 3.22Å; L111-L142 HydrophobicContact CB-CD2 4.26Å; L111-L142 HydrophobicContact CD1-CD2 3.41Å; L111-L142 VanDerWaalsContact CD1-CD2 3.41Å; L111-L142 HydrophobicContact CG-CD2 4.45Å
112Q92.5Very high92.5Very high71 Ų7157.2 Ų57.233%0.33228%0.276SS..Hα-helixtrans-55.5-39.2-178.8-169.559.546.100112.8P110 L114 V115 D116 P138P110-Q112 PolarHBondContact O-N 2.72Å; Q112-L114 VanDerWaalsContact C-N 3.29Å; Q112-L114 PolarHBondContact O-N 3.15Å; Q112-V115 WeakPolarHBondContact O-CB 3.39Å; Q112-V115 PolarHBondContact O-N 3.45Å; Q112-V115 VanDerWaalsContact O-N 3.11Å; Q112-D116 PolarHBondContact NE2-OD1 3.34Å; Q112-D116 PolarHBondContact O-N 3.45Å; Q112-P138 HydrophobicContact CB-CB 4.36Å; Q112-P138 PolarHBondContact N-O 3.49Å; Q112-P138 VanDerWaalsContact OE1-CB 3.3Å
113Q93.1Very high92.3Very high109 Ų10957.7 Ų57.751%0.50929%0.29SS..Hα-helixtrans-63.2-36.9177.4-70.5178.422.900112.5P110 L111 R117P110-Q113 HydrophobicContact CG-CG 4.01Å; P110-Q113 PolarHBondContact O-N 2.58Å; L111-Q113 VanDerWaalsContact C-N 3.26Å; L111-Q113 PolarHBondContact O-N 3.09Å; Q113-R117 WeakPolarHBondContact O-CB 3.28Å; Q113-R117 PolarHBondContact O-N 2.78Å
114L93.5Very high91.9Very high2 Ų257.8 Ų57.81%0.0129%0.291CS..Hα-helixtrans-68.9-39.9174.8176.261.7000111L85 L103 T105 L111 Q112 I118 L129 L142L85-L114 HydrophobicContact CD1-CD1 4.37Å; L85-L114 HydrophobicContact CD1-CD2 3.71Å; L103-L114 HydrophobicContact CD2-CD1 3.29Å; T105-L114 HydrophobicContact CG2-CD1 4.17Å; L111-L114 HydrophobicContact CD1-CD2 4.45Å; L111-L114 WeakPolarHBondContact O-CA 3.46Å; L111-L114 WeakPolarHBondContact O-CB 3.18Å; L111-L114 PolarHBondContact O-N 2.73Å; Q112-L114 VanDerWaalsContact C-N 3.29Å; Q112-L114 PolarHBondContact O-N 3.15Å; L114-I118 HydrophobicContact CD1-CD1 3.86Å; L114-I118 HydrophobicContact CD1-CG1 4.2Å; L114-I118 HydrophobicContact CG-CD1 3.87Å; L114-I118 VanDerWaalsContact O-CG1 3.23Å; L114-I118 WeakPolarHBondContact O-CG1 3.16Å; L114-I118 PolarHBondContact O-N 3.29Å; L114-L129 HydrophobicContact CD2-CD1 3.73Å; L114-L129 HydrophobicContact CG-CD1 3.92Å; L114-L142 HydrophobicContact CB-CD1 4.45Å; L114-L142 HydrophobicContact CD2-CD1 4.03Å; L114-L142 HydrophobicContact CD2-CD2 3.69Å
115V92.1Very high91.2Very high17 Ų1760.3 Ų60.310%0.10330%0.3CS..Hα-helixtrans-61.4-49.2176.7164.90000111L111 Q112 R117 I118 A119 I127 L129L111-V115 HydrophobicContact CG-CG2 4.18Å; L111-V115 PolarHBondContact O-N 3.25Å; Q112-V115 WeakPolarHBondContact O-CB 3.39Å; Q112-V115 PolarHBondContact O-N 3.45Å; Q112-V115 VanDerWaalsContact O-N 3.11Å; V115-R117 VanDerWaalsContact C-N 3.32Å; V115-R117 PolarHBondContact O-N 3.39Å; V115-I118 PolarHBondContact O-N 2.93Å; V115-A119 WeakPolarHBondContact O-CB 3.48Å; V115-A119 PolarHBondContact O-N 3.43Å; V115-I127 HydrophobicContact CG1-CD1 4.2Å; V115-I127 HydrophobicContact CG1-CG1 3.76Å; V115-L129 HydrophobicContact CG2-CD1 3.96Å; V115-L129 HydrophobicContact CG2-CG 4.02Å
116D91Very high90.3Very high69 Ų6961.8 Ų61.837%0.36931%0.306SS..Hα-helixtrans-60.7-44.1-179.3-61.7-24.9000110.7Q112 I118 A119 E120Q112-D116 PolarHBondContact NE2-OD1 3.34Å; Q112-D116 PolarHBondContact O-N 3.45Å; D116-I118 PolarHBondContact O-N 3.07Å; D116-A119 WeakPolarHBondContact O-CB 2.75Å; D116-A119 PolarHBondContact O-N 2.86Å; D116-E120 WeakPolarHBondContact O-CG 3.38Å; D116-E120 PolarHBondContact O-N 2.91Å
117R92.8Very high90Very high106 Ų10656 Ų5640%0.429%0.285SS..Hα-helixtrans-63.5-43.1176.7-175171.9176.3-169.4-3.5113.3L103 E104 Q113 V115 A119 E120 D121L103-R117 HydrophobicContact CD2-CG 4.49Å; E104-R117 PolarHBondContact O-NH1 2.92Å; Q113-R117 WeakPolarHBondContact O-CB 3.28Å; Q113-R117 PolarHBondContact O-N 2.78Å; V115-R117 VanDerWaalsContact C-N 3.32Å; V115-R117 PolarHBondContact O-N 3.39Å; R117-A119 VanDerWaalsContact C-N 3.3Å; R117-A119 PolarHBondContact O-N 3.42Å; R117-E120 PolarHBondContact O-N 3.23Å; R117-D121 IonicContact NE-OD2 3.43Å; R117-D121 VanDerWaalsContact O-CB 3.3Å; R117-D121 WeakPolarHBondContact O-CB 3.16Å; R117-D121 VanDerWaalsContact O-CG 3.3Å; R117-D121 PolarHBondContact O-N 2.83Å
118I91.8Very high89.7Confident0 Ų057 Ų570%029%0.289CS..Hα-helixtrans-65.6-38.4176.5-67.5168.6000110.3L87 L103 L114 V115 D116 E120 F122 L124 I127 L129 V155L87-I118 HydrophobicContact CD1-CD1 3.83Å; L87-I118 HydrophobicContact CD1-CG1 3.8Å; L87-I118 HydrophobicContact CD2-CD1 3.91Å; L103-I118 HydrophobicContact CD2-CD1 4.38Å; L103-I118 HydrophobicContact CD2-CG1 3.8Å; L114-I118 HydrophobicContact CD1-CD1 3.86Å; L114-I118 HydrophobicContact CD1-CG1 4.2Å; L114-I118 HydrophobicContact CG-CD1 3.87Å; L114-I118 VanDerWaalsContact O-CG1 3.23Å; L114-I118 WeakPolarHBondContact O-CG1 3.16Å; L114-I118 PolarHBondContact O-N 3.29Å; V115-I118 PolarHBondContact O-N 2.93Å; D116-I118 PolarHBondContact O-N 3.07Å; I118-E120 VanDerWaalsContact C-N 3.34Å; I118-F122 HydrophobicContact CB-CD2 4.47Å; I118-F122 HydrophobicContact CG2-CD2 3.88Å; I118-F122 WeakPolarHBondContact O-CB 3.48Å; I118-F122 WeakPolarHBondContact O-CD2 3.18Å; I118-F122 PolarHBondContact O-N 3.39Å; I118-F122 VanDerWaalsContact O-N 3.11Å; I118-L124 HydrophobicContact CG2-CD1 4.46Å; I118-I127 HydrophobicContact CB-CD1 3.63Å; I118-I127 HydrophobicContact CG2-CD1 3.4Å; I118-I127 VanDerWaalsContact CG2-CD1 3.4Å; I118-L129 HydrophobicContact CD1-CD1 3.99Å; I118-L129 HydrophobicContact CD1-CD2 4.06Å; I118-V155 HydrophobicContact CD1-CG2 4.35Å; I118-V155 HydrophobicContact CG2-CG1 4.06Å; I118-V155 HydrophobicContact CG2-CG2 4.2Å
119A89.2Confident89.6Confident26 Ų2653 Ų5322%0.21527%0.268CS..Hα-helixtrans-60.2-44.9176.500000111.4V115 D116 R117 S123 L124V115-A119 WeakPolarHBondContact O-CB 3.48Å; V115-A119 PolarHBondContact O-N 3.43Å; D116-A119 WeakPolarHBondContact O-CB 2.75Å; D116-A119 PolarHBondContact O-N 2.86Å; R117-A119 VanDerWaalsContact C-N 3.3Å; R117-A119 PolarHBondContact O-N 3.42Å; A119-S123 CarbonylContact O-C 3.48Å; A119-S123 WeakPolarHBondContact O-CA 3.18Å; A119-S123 PolarHBondContact O-N 3.36Å; A119-L124 WeakPolarHBondContact CA-O 3.44Å; A119-L124 WeakPolarHBondContact CB-O 3.11Å; A119-L124 PolarHBondContact O-N 3.49Å
120E89.9Confident89.4Confident149 Ų14951.9 Ų51.970%0.69626%0.261SS*.Hα-helixtrans-66.7-56.8175.9-70.7175-174.700112.3D116 R117 I118 F122 S123D116-E120 WeakPolarHBondContact O-CG 3.38Å; D116-E120 PolarHBondContact O-N 2.91Å; R117-E120 PolarHBondContact O-N 3.23Å; I118-E120 VanDerWaalsContact C-N 3.34Å; E120-F122 PolarHBondContact O-N 2.96Å; E120-S123 PolarHBondContact O-N 3.06Å
121D90.1Very high89.1Confident77 Ų7750.3 Ų50.341%0.41225%0.25SC..Hα-helixtrans-59.9-34.4-173-76.2-15.9000112.6L103 R117L103-D121 VanDerWaalsContact CD1-OD2 3.32Å; L103-D121 WeakPolarHBondContact CD1-OD2 3.28Å; R117-D121 IonicContact NE-OD2 3.43Å; R117-D121 VanDerWaalsContact O-CB 3.3Å; R117-D121 WeakPolarHBondContact O-CB 3.16Å; R117-D121 VanDerWaalsContact O-CG 3.3Å; R117-D121 PolarHBondContact O-N 2.83Å
122F88.6Confident88.7Confident46 Ų4654.1 Ų54.120%0.20227%0.27CS..Hα-helixtrans-110.75.4-176.1-58.8-75.2000113.7L87 L89 T101 I118 E120 L124L87-F122 HydrophobicContact CD1-CE2 3.96Å; L89-F122 HydrophobicContact CD1-CD1 3.42Å; L89-F122 VanDerWaalsContact CD1-CD1 3.42Å; L89-F122 HydrophobicContact CD1-CE1 3.59Å; L89-F122 HydrophobicContact CD1-CG 3.97Å; L89-F122 HydrophobicContact CD1-CZ 4.25Å; L89-F122 HydrophobicContact CD2-CD1 4.32Å; L89-F122 HydrophobicContact CD2-CD2 4.07Å; L89-F122 HydrophobicContact CD2-CE2 4.45Å; L89-F122 HydrophobicContact CD2-CG 4.01Å; T101-F122 HydrophobicContact CG2-CE1 3.56Å; T101-F122 HydrophobicContact CG2-CE2 4.1Å; T101-F122 HydrophobicContact CG2-CZ 3.19Å; I118-F122 HydrophobicContact CB-CD2 4.47Å; I118-F122 HydrophobicContact CG2-CD2 3.88Å; I118-F122 WeakPolarHBondContact O-CB 3.48Å; I118-F122 WeakPolarHBondContact O-CD2 3.18Å; I118-F122 PolarHBondContact O-N 3.39Å; I118-F122 VanDerWaalsContact O-N 3.11Å; E120-F122 PolarHBondContact O-N 2.96Å; F122-L124 HydrophobicContact CB-CD1 3.95Å; F122-L124 HydrophobicContact CB-CG 3.97Å; F122-L124 PolarHBondContact O-N 3.25Å
123S86.6Confident88.3Confident104 Ų10451 Ų5173%0.72726%0.257SS*.THydrogen-bonded Turntrans51.839.5-177.3-49.50000112.3A119 E120A119-S123 CarbonylContact O-C 3.48Å; A119-S123 WeakPolarHBondContact O-CA 3.18Å; A119-S123 PolarHBondContact O-N 3.36Å; E120-S123 PolarHBondContact O-N 3.06Å
124L84.1Confident88Confident13 Ų1354.6 Ų54.67%0.06827%0.266CS..  trans-96.6133.7178.8-72.5175.3000109.2L89 P90 A93 I118 A119 F122 I127 V155 K157L89-L124 HydrophobicContact CD2-CD1 4.21Å; P90-L124 HydrophobicContact CG-CD1 4.48Å; A93-L124 HydrophobicContact CB-CD1 4.2Å; A93-L124 HydrophobicContact CB-CD2 3.9Å; A93-L124 HydrophobicContact CB-CG 4.25Å; I118-L124 HydrophobicContact CG2-CD1 4.46Å; A119-L124 WeakPolarHBondContact CA-O 3.44Å; A119-L124 WeakPolarHBondContact CB-O 3.11Å; A119-L124 PolarHBondContact O-N 3.49Å; F122-L124 HydrophobicContact CB-CD1 3.95Å; F122-L124 HydrophobicContact CB-CG 3.97Å; F122-L124 PolarHBondContact O-N 3.25Å; L124-I127 HydrophobicContact CB-CG2 3.65Å; L124-I127 HydrophobicContact CD1-CG2 4.1Å; L124-I127 HydrophobicContact CG-CG2 4.43Å; L124-V155 HydrophobicContact CD1-CG1 3.9Å; L124-K157 HydrophobicContact CD2-CD 4.43Å
125K79.1Confident87.8Confident146 Ų14656.1 Ų56.164%0.63528%0.275SS*.  trans-100.7146.6168.6-62.8-174.2177.6-174.10109.2
126H77.3Confident87.8Confident49 Ų4955.9 Ų55.923%0.22727%0.273CS..SBendtrans50.578170.9-49.7-54000113.3V158 E170 Q171H126-V158 HydrophobicContact CB-CB 4.2Å; H126-V158 WeakPolarHBondContact O-CB 3.46Å; H126-V158 WeakPolarHBondContact O-CG2 3.25Å; H126-V158 PolarHBondContact O-N 3.21Å; H126-E170 VanDerWaalsContact CE1-C 3.48Å; H126-Q171 WeakPolarHBondContact CE1-CA 3.01Å; H126-Q171 PolarHBondContact CE1-N 2.97Å; H126-Q171 WeakPolarHBondContact ND1-CA 3.48Å
127I86.7Confident87.7Confident17 Ų1757.1 Ų57.19%0.08728%0.277CS..EExtended strand (participates in β ladder)trans-111.3148-178.564175.4000112.3V115 I118 L124 L129 V155 L156V115-I127 HydrophobicContact CG1-CD1 4.2Å; V115-I127 HydrophobicContact CG1-CG1 3.76Å; I118-I127 HydrophobicContact CB-CD1 3.63Å; I118-I127 HydrophobicContact CG2-CD1 3.4Å; I118-I127 VanDerWaalsContact CG2-CD1 3.4Å; L124-I127 HydrophobicContact CB-CG2 3.65Å; L124-I127 HydrophobicContact CD1-CG2 4.1Å; L124-I127 HydrophobicContact CG-CG2 4.43Å; I127-L129 HydrophobicContact CD1-CD2 4.39Å; I127-V155 HydrophobicContact CB-CG1 4.01Å; I127-V155 HydrophobicContact CD1-CG1 4.04Å; I127-V155 HydrophobicContact CG2-CG1 3.99Å; I127-L156 VanDerWaalsContact CA-O 3.31Å; I127-L156 WeakPolarHBondContact CA-O 3.48Å
128K88.2Confident87.5Confident41 Ų4154.5 Ų54.518%0.17827%0.273CS..EExtended strand (participates in β ladder)trans-115.6144.2166.4-76.2176.6177166.60109.9T135 L156 V158K128-T135 HydrophobicContact CB-CG2 4.49Å; K128-T135 HydrophobicContact CD-CG2 4.3Å; K128-L156 PolarHBondContact N-O 2.99Å; K128-L156 PolarHBondContact O-N 3.29Å; K128-V158 HydrophobicContact CD-CG2 4.17Å; K128-V158 HydrophobicContact CG-CG2 4.11Å
129L91.6Very high87.4Confident1 Ų161.5 Ų61.51%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-104.9127.7177-57.6-167.9000109.7L111 L114 V115 I118 I127 L136 V153 M154 V155L111-L129 HydrophobicContact CD1-CB 4.29Å; L111-L129 HydrophobicContact CD1-CD1 3.73Å; L111-L129 HydrophobicContact CD1-CG 4.43Å; L111-L129 HydrophobicContact CG-CD1 4.47Å; L114-L129 HydrophobicContact CD2-CD1 3.73Å; L114-L129 HydrophobicContact CG-CD1 3.92Å; V115-L129 HydrophobicContact CG2-CD1 3.96Å; V115-L129 HydrophobicContact CG2-CG 4.02Å; I118-L129 HydrophobicContact CD1-CD1 3.99Å; I118-L129 HydrophobicContact CD1-CD2 4.06Å; I127-L129 HydrophobicContact CD1-CD2 4.39Å; L129-L136 HydrophobicContact CB-CB 4.4Å; L129-L136 HydrophobicContact CB-CD1 3.97Å; L129-L136 HydrophobicContact CB-CG 4.47Å; L129-L136 PolarHBondContact O-N 2.77Å; L129-V153 HydrophobicContact CB-CG1 3.77Å; L129-V153 HydrophobicContact CD1-CG1 4.19Å; L129-V153 HydrophobicContact CD2-CG1 4.19Å; L129-V153 HydrophobicContact CG-CG1 4.26Å; L129-M154 WeakPolarHBondContact CA-O 3.15Å; L129-V155 HydrophobicContact CD2-CB 4.23Å; L129-V155 HydrophobicContact CD2-CG1 4.22Å; L129-V155 HydrophobicContact CD2-CG2 3.79Å
130I89.9Confident87.6Confident0 Ų066.5 Ų66.50%032%0.324CS..EExtended strand (participates in β ladder)trans-117131.2179.3-61.1171.3000109R134 M154 L156 L246 L250I130-R134 WeakPolarHBondContact CA-O 3.46Å; I130-M154 HydrophobicContact CB-CB 4.2Å; I130-M154 PolarHBondContact N-O 2.96Å; I130-M154 PolarHBondContact O-N 3.31Å; I130-L156 HydrophobicContact CD1-CB 4.46Å; I130-L156 HydrophobicContact CD1-CD1 3.93Å; I130-L246 HydrophobicContact CD1-CD2 3.8Å; I130-L246 HydrophobicContact CD1-CG 4.24Å; I130-L250 HydrophobicContact CD1-CD1 3.95Å; I130-L250 HydrophobicContact CG1-CD1 4.35Å; I130-L250 HydrophobicContact CG2-CD1 4.06Å
131L90.2Very high87.9Confident9 Ų964 Ų645%0.04731%0.309CS..EExtended strand (participates in β ladder)trans-130.5123.8175.2-179.469.5000109.4G133 R134 L136 V147 K152 V153L131-G133 VanDerWaalsContact C-N 3.25Å; L131-G133 PolarHBondContact O-N 3.4Å; L131-G133 VanDerWaalsContact O-N 3.15Å; L131-R134 PolarHBondContact N-O 3.11Å; L131-R134 PolarHBondContact O-N 3.45Å; L131-L136 HydrophobicContact CB-CD1 4.23Å; L131-L136 HydrophobicContact CB-CD2 4.01Å; L131-L136 HydrophobicContact CB-CG 4.25Å; L131-L136 HydrophobicContact CD2-CD2 4.49Å; L131-V147 HydrophobicContact CD2-CG2 3.93Å; L131-K152 VanDerWaalsContact CD1-O 3.27Å; L131-K152 WeakPolarHBondContact CD1-O 3.29Å; L131-V153 HydrophobicContact CD1-CG2 4.49Å
132N85.1Confident88.1Confident84 Ų8460.3 Ų60.345%0.44929%0.289SS..THydrogen-bonded Turntrans47.345.2175.7-61.9-29.8000114R134N132-R134 VanDerWaalsContact C-N 3.3Å; N132-R134 PolarHBondContact O-N 3.01Å
133G83.6Confident88.4Confident5 Ų561.1 Ų61.15%0.05230%0.295CS..THydrogen-bonded Turntrans76.112.2179.600000115.7L131 L250 Y281 D292L131-G133 VanDerWaalsContact C-N 3.25Å; L131-G133 PolarHBondContact O-N 3.4Å; L131-G133 VanDerWaalsContact O-N 3.15Å; G133-L250 WeakPolarHBondContact O-CD2 3.49Å; G133-Y281 WeakPolarHBondContact CA-OH 3.18Å; G133-D292 WeakPolarHBondContact CA-OD2 3.44Å; G133-D292 PolarHBondContact N-OD2 3.09Å
134R87Confident88.8Confident186 Ų18662.2 Ų62.270%0.70229%0.289SS*.EExtended strand (participates in β ladder)trans-119.9132.1175.8-61.6-178.1-178.4-175.4-1.1110.3I130 L131 N132I130-R134 WeakPolarHBondContact CA-O 3.46Å; L131-R134 PolarHBondContact N-O 3.11Å; L131-R134 PolarHBondContact O-N 3.45Å; N132-R134 VanDerWaalsContact C-N 3.3Å; N132-R134 PolarHBondContact O-N 3.01Å
135T89.6Confident89.3Confident33 Ų3363.3 Ų63.320%0.20229%0.294CS..EExtended strand (participates in β ladder)trans-73.8124.6168.5-51.80000108.6K128K128-T135 HydrophobicContact CB-CG2 4.49Å; K128-T135 HydrophobicContact CD-CG2 4.3Å
136L91.4Very high89.9Confident13 Ų1358.1 Ų58.17%0.06828%0.282CS..PPolyproline II helixtrans-74.9146177.9-57.8179.1000110.4L111 L129 L131 Q145 V147L111-L136 HydrophobicContact CD1-CB 3.8Å; L111-L136 HydrophobicContact CD1-CD1 3.68Å; L111-L136 HydrophobicContact CD1-CG 4.39Å; L111-L136 VanDerWaalsContact CD2-C 3.44Å; L111-L136 HydrophobicContact CD2-CB 3.38Å; L111-L136 HydrophobicContact CG-CB 4.24Å; L129-L136 HydrophobicContact CB-CB 4.4Å; L129-L136 HydrophobicContact CB-CD1 3.97Å; L129-L136 HydrophobicContact CB-CG 4.47Å; L129-L136 PolarHBondContact O-N 2.77Å; L131-L136 HydrophobicContact CB-CD1 4.23Å; L131-L136 HydrophobicContact CB-CD2 4.01Å; L131-L136 HydrophobicContact CB-CG 4.25Å; L131-L136 HydrophobicContact CD2-CD2 4.49Å; L136-Q145 HydrophobicContact CD2-CB 3.75Å; L136-V147 HydrophobicContact CD1-CG2 4.03Å
137Q90Very high90.7Very high94 Ų9456 Ų5644%0.43927%0.272SS..PPolyproline II helixtrans-95.2132.1-178.9-62.5-176.4-6.500111.2L111 D139 R140 Q145L111-Q137 VanDerWaalsContact CB-O 3.26Å; L111-Q137 WeakPolarHBondContact CB-O 3.33Å; L111-Q137 VanDerWaalsContact CD2-O 3.25Å; L111-Q137 WeakPolarHBondContact CD2-O 3.4Å; Q137-D139 PolarHBondContact O-N 3.24Å; Q137-R140 HydrophobicContact CB-CB 4.41Å; Q137-R140 HydrophobicContact CB-CG 4.31Å; Q137-R140 PolarHBondContact O-N 3.02Å; Q137-R140 VanDerWaalsContact OE1-CD 3.25Å; Q137-Q145 PolarHBondContact O-NE2 2.96Å
138P87.5Confident91Very high51 Ų5162.2 Ų62.233%0.33130%0.298SS..THydrogen-bonded Turntrans-62.3-38.7-172.423.6-33000113.4L111 Q112 R140L111-P138 PolarHBondContact N-O 2.86Å; Q112-P138 HydrophobicContact CB-CB 4.36Å; Q112-P138 PolarHBondContact N-O 3.49Å; Q112-P138 VanDerWaalsContact OE1-CB 3.3Å; P138-R140 VanDerWaalsContact C-N 3.34Å; P138-R140 PolarHBondContact O-N 2.89Å
139D89.7Confident91.3Very high148 Ų14861.6 Ų61.679%0.79130%0.297SS*.THydrogen-bonded Turntrans-83.1-10.6-172.4-51.3-49.1000113.7Q137Q137-D139 PolarHBondContact O-N 3.24Å
140R94.1Very high91.3Very high131 Ų13163.2 Ų63.249%0.49431%0.305SS..SBendtrans-95.4152.8-178.9-70.1-166.9-176.9-157.4-0.3111.6P110 L111 Q137 P138 Q145P110-R140 WeakPolarHBondContact CA-O 3.12Å; L111-R140 PolarHBondContact N-O 3.22Å; Q137-R140 HydrophobicContact CB-CB 4.41Å; Q137-R140 HydrophobicContact CB-CG 4.31Å; Q137-R140 PolarHBondContact O-N 3.02Å; Q137-R140 VanDerWaalsContact OE1-CD 3.25Å; P138-R140 VanDerWaalsContact C-N 3.34Å; P138-R140 PolarHBondContact O-N 2.89Å; R140-Q145 HydrophobicContact CB-CG 3.94Å; R140-Q145 PolarHBondContact O-NE2 2.92Å; R140-Q145 VanDerWaalsContact O-NE2 3.1Å
141R95.7Very high91.4Very high96 Ų9664 Ų6436%0.36231%0.31SS..BIsolated β-bridgetrans-66.7156.1175.7-65.2168.949.7149.71.1111.4D108 V109 D143 E144 Q145D108-R141 PolarHBondContact O-NE 3.33Å; V109-R141 WeakPolarHBondContact O-CA 3.2Å; R141-D143 WeakPolarHBondContact CB-OD1 3.22Å; R141-D143 IonicContact CZ-OD1 3.76Å; R141-D143 IonicContact CZ-OD2 3.69Å; R141-D143 IonicContact NE-OD1 2.7Å; R141-D143 PolarHBondContact NE-OD1 2.87Å; R141-D143 IonicContact NE-OD2 3.65Å; R141-D143 IonicContact NH2-OD1 3.26Å; R141-D143 IonicContact NH2-OD2 3.75Å; R141-D143 PolarHBondContact NH2-OD2 3.43Å; R141-E144 HydrophobicContact CB-CB 4.39Å; R141-E144 HydrophobicContact CB-CG 4.09Å; R141-Q145 VanDerWaalsContact O-CG 3.29Å; R141-Q145 WeakPolarHBondContact O-CG 3.4Å; R141-Q145 PolarHBondContact O-NE2 3.42Å
142L95.1Very high91.4Very high0 Ų067.2 Ų67.20%032%0.324CS..THydrogen-bonded Turntrans-66.4-44.4179.4-66.3171.6000111.4T105 R106 L107 V109 L111 L114 E144 Q145 V147T105-L142 HydrophobicContact CG2-CD1 3.84Å; R106-L142 WeakPolarHBondContact O-CD1 3.32Å; L107-L142 HydrophobicContact CD2-CB 4.35Å; L107-L142 WeakPolarHBondContact O-CB 3.46Å; L107-L142 PolarHBondContact O-N 3.31Å; V109-L142 HydrophobicContact CG2-CD1 3.83Å; V109-L142 HydrophobicContact CG2-CG 4.47Å; V109-L142 PolarHBondContact O-N 3.48Å; V109-L142 VanDerWaalsContact O-N 3.14Å; L111-L142 HydrophobicContact CB-CD2 4.26Å; L111-L142 HydrophobicContact CD1-CD2 3.41Å; L111-L142 VanDerWaalsContact CD1-CD2 3.41Å; L111-L142 HydrophobicContact CG-CD2 4.45Å; L114-L142 HydrophobicContact CB-CD1 4.45Å; L114-L142 HydrophobicContact CD2-CD1 4.03Å; L114-L142 HydrophobicContact CD2-CD2 3.69Å; L142-E144 PolarHBondContact O-N 3.39Å; L142-Q145 PolarHBondContact O-N 3.47Å; L142-V147 HydrophobicContact CB-CB 3.89Å; L142-V147 HydrophobicContact CB-CG1 4.28Å; L142-V147 HydrophobicContact CB-CG2 4.04Å; L142-V147 HydrophobicContact CD2-CG2 4.05Å; L142-V147 WeakPolarHBondContact O-CB 3.48Å; L142-V147 VanDerWaalsContact O-CG2 3.25Å; L142-V147 WeakPolarHBondContact O-CG2 3.33Å; L142-V147 PolarHBondContact O-N 3.44Å; L142-V147 VanDerWaalsContact O-N 3.07Å
143D94.5Very high91.7Very high63 Ų6363.3 Ų63.334%0.33730%0.303SS..G310 helixtrans-62.3-41.5-179.755.1-1.4000113.7L107 R141 Q145 G146L107-D143 HydrophobicContact CB-CB 4.11Å; L107-D143 PolarHBondContact O-N 2.8Å; R141-D143 WeakPolarHBondContact CB-OD1 3.22Å; R141-D143 IonicContact CZ-OD1 3.76Å; R141-D143 IonicContact CZ-OD2 3.69Å; R141-D143 IonicContact NE-OD1 2.7Å; R141-D143 PolarHBondContact NE-OD1 2.87Å; R141-D143 IonicContact NE-OD2 3.65Å; R141-D143 IonicContact NH2-OD1 3.26Å; R141-D143 IonicContact NH2-OD2 3.75Å; R141-D143 PolarHBondContact NH2-OD2 3.43Å; D143-Q145 PolarHBondContact O-N 2.83Å; D143-G146 PolarHBondContact O-N 3Å; D143-G146 VanDerWaalsContact O-N 3.1Å
144E95.1Very high92Very high126 Ų12663.4 Ų63.459%0.58930%0.302SS*.G310 helixtrans-61.1-23.5175.9-69.6175.9172.100113.4R141 L142R141-E144 HydrophobicContact CB-CB 4.39Å; R141-E144 HydrophobicContact CB-CG 4.09Å; L142-E144 PolarHBondContact O-N 3.39Å
145Q93.4Very high92.2Very high37 Ų3754.7 Ų54.717%0.17327%0.27CS..G310 helixtrans-98.89.3-178.5-58.8-177.279.400112.7L136 Q137 R140 R141 L142 D143L136-Q145 HydrophobicContact CD2-CB 3.75Å; Q137-Q145 PolarHBondContact O-NE2 2.96Å; R140-Q145 HydrophobicContact CB-CG 3.94Å; R140-Q145 PolarHBondContact O-NE2 2.92Å; R140-Q145 VanDerWaalsContact O-NE2 3.1Å; R141-Q145 VanDerWaalsContact O-CG 3.29Å; R141-Q145 WeakPolarHBondContact O-CG 3.4Å; R141-Q145 PolarHBondContact O-NE2 3.42Å; L142-Q145 PolarHBondContact O-N 3.47Å; D143-Q145 PolarHBondContact O-N 2.83Å
146G92.1Very high92.1Very high37 Ų3753.1 Ų53.138%0.38126%0.26SS..THydrogen-bonded Turntrans83.911.3176.700000114.3D143 K148D143-G146 PolarHBondContact O-N 3Å; D143-G146 VanDerWaalsContact O-N 3.1Å; G146-K148 PolarHBondContact O-N 2.96Å
147V93.8Very high91.6Very high4 Ų455.6 Ų55.62%0.02427%0.27CS..  trans-71.2124.3171.8-173.50000108.7L85 L107 L131 L136 L142L85-V147 HydrophobicContact CD1-CG1 4.26Å; L85-V147 HydrophobicContact CD2-CG1 3.67Å; L107-V147 HydrophobicContact CD2-CB 4.42Å; L107-V147 HydrophobicContact CD2-CG1 3.84Å; L131-V147 HydrophobicContact CD2-CG2 3.93Å; L136-V147 HydrophobicContact CD1-CG2 4.03Å; L142-V147 HydrophobicContact CB-CB 3.89Å; L142-V147 HydrophobicContact CB-CG1 4.28Å; L142-V147 HydrophobicContact CB-CG2 4.04Å; L142-V147 HydrophobicContact CD2-CG2 4.05Å; L142-V147 WeakPolarHBondContact O-CB 3.48Å; L142-V147 VanDerWaalsContact O-CG2 3.25Å; L142-V147 WeakPolarHBondContact O-CG2 3.33Å; L142-V147 PolarHBondContact O-N 3.44Å; L142-V147 VanDerWaalsContact O-N 3.07Å
148K93.7Very high90.6Very high147 Ų14752 Ų5264%0.63925%0.254SS*.  trans-121.8166.5178.4-61.4176.7-175.2178.80110.7G146 H150 S151G146-K148 PolarHBondContact O-N 2.96Å; K148-H150 PolarHBondContact O-N 3.15Å; K148-S151 WeakPolarHBondContact CA-OG 3.38Å; K148-S151 PolarHBondContact N-OG 2.82Å; K148-S151 VanDerWaalsContact O-CB 3.27Å; K148-S151 WeakPolarHBondContact O-CB 3.1Å; K148-S151 PolarHBondContact O-N 2.88Å; K148-S151 PolarHBondContact O-OG 2.77Å
149N94.4Very high89.2Confident28 Ų2852.3 Ų52.315%0.1526%0.258CS..THydrogen-bonded Turntrans-54.2134.1169.5-171.633.5000111N74 F77 A83 T84 S151N74-N149 PolarHBondContact OD1-ND2 3.25Å; N74-N149 VanDerWaalsContact OD1-ND2 3.16Å; F77-N149 HydrophobicContact CD1-CB 3.93Å; F77-N149 HydrophobicContact CD2-CB 4.1Å; F77-N149 HydrophobicContact CE1-CB 4.12Å; F77-N149 HydrophobicContact CE2-CB 4.29Å; F77-N149 HydrophobicContact CG-CB 3.91Å; F77-N149 HydrophobicContact CZ-CB 4.3Å; A83-N149 WeakPolarHBondContact CA-OD1 3.5Å; A83-N149 HydrophobicContact CB-CB 4.17Å; T84-N149 PolarHBondContact N-OD1 3.38Å; T84-N149 PolarHBondContact O-OD1 3.13Å; N149-S151 VanDerWaalsContact C-N 3.28Å; N149-S151 PolarHBondContact O-N 3.32Å
150H91.8Very high87.1Confident36 Ų3649.5 Ų49.517%0.16724%0.243CC..THydrogen-bonded Turntrans63.522.6-173.4-53-57.5000115.8R70 N74 T84 K148R70-H150 WeakPolarHBondContact CG-NE2 3.36Å; R70-H150 PolarHBondContact O-NE2 3.22Å; N74-H150 PolarHBondContact OD1-CD2 2.9Å; N74-H150 PolarHBondContact OD1-NE2 3.44Å; T84-H150 WeakPolarHBondContact O-CA 3.3Å; T84-H150 PolarHBondContact O-N 3.01Å; K148-H150 PolarHBondContact O-N 3.15Å
151S91.6Very high84.5Confident17 Ų1745.9 Ų45.912%0.11924%0.241CC..  trans-63.5141.7169.8-62.90000110.9E86 K148 N149E86-S151 PolarHBondContact N-O 3.43Å; K148-S151 WeakPolarHBondContact CA-OG 3.38Å; K148-S151 PolarHBondContact N-OG 2.82Å; K148-S151 VanDerWaalsContact O-CB 3.27Å; K148-S151 WeakPolarHBondContact O-CB 3.1Å; K148-S151 PolarHBondContact O-N 2.88Å; K148-S151 PolarHBondContact O-OG 2.77Å; N149-S151 VanDerWaalsContact C-N 3.28Å; N149-S151 PolarHBondContact O-N 3.32Å
152K90.2Very high81.7Confident75 Ų7549.9 Ų49.933%0.32626%0.264SS..EExtended strand (participates in β ladder)trans-92113.7172.1-65.5177.5-178.8172.80108.7E86 L131 C289E86-K152 HydrophobicContact CB-CG 4.12Å; E86-K152 HydrophobicContact CG-CG 4.38Å; E86-K152 CarbonylContact O-C 3.48Å; E86-K152 WeakPolarHBondContact O-CA 3.34Å; L131-K152 VanDerWaalsContact CD1-O 3.27Å; L131-K152 WeakPolarHBondContact CD1-O 3.29Å; K152-C289 HydrophobicContact CD-CB 4.37Å; K152-C289 WeakPolarHBondContact CD-O 3.28Å
153V91.4Very high79.2Confident2 Ų259.3 Ų59.31%0.01231%0.308CS..EExtended strand (participates in β ladder)trans-112123-177.5-176.90000108.5L85 E86 L87 L88 L129 L131L85-V153 HydrophobicContact CD1-CG2 4.5Å; E86-V153 PolarHBondContact O-N 3.32Å; L87-V153 WeakPolarHBondContact CA-O 3.47Å; L87-V153 HydrophobicContact CD2-CB 4.16Å; L88-V153 PolarHBondContact N-O 3.12Å; L129-V153 HydrophobicContact CB-CG1 3.77Å; L129-V153 HydrophobicContact CD1-CG1 4.19Å; L129-V153 HydrophobicContact CD2-CG1 4.19Å; L129-V153 HydrophobicContact CG-CG1 4.26Å; L131-V153 HydrophobicContact CD1-CG2 4.49Å
154M90.4Very high76.3Confident8 Ų862.4 Ų62.44%0.03933%0.329CS..EExtended strand (participates in β ladder)trans-82.7126.4174.1176176.2-176.600109.7L88 L129 I130 L156 L246 L284 A286L88-M154 HydrophobicContact CD2-CB 4.35Å; L88-M154 HydrophobicContact CD2-CG 4.09Å; L88-M154 HydrophobicContact CD2-SD 4.44Å; L129-M154 WeakPolarHBondContact CA-O 3.15Å; I130-M154 HydrophobicContact CB-CB 4.2Å; I130-M154 PolarHBondContact N-O 2.96Å; I130-M154 PolarHBondContact O-N 3.31Å; M154-L156 HydrophobicContact CE-CD1 4.23Å; M154-L246 HydrophobicContact CE-CD2 4.14Å; M154-L246 HydrophobicContact SD-CD2 4.28Å; M154-L284 HydrophobicContact CE-CB 3.74Å; M154-L284 HydrophobicContact CE-CD1 3.53Å; M154-L284 HydrophobicContact CE-CG 4.22Å; M154-A286 HydrophobicContact CE-CB 3.86Å; M154-A286 HydrophobicContact SD-CB 3.59Å; M154-A286 VanDerWaalsContact SD-CB 3.59Å
155V90.5Very high73.9Confident3 Ų361.4 Ų61.42%0.01834%0.336CS..EExtended strand (participates in β ladder)trans-97.2116.7173.7-175.50000107.2L87 L88 L89 P90 I118 L124 I127 L129L87-V155 HydrophobicContact CB-CG2 4.35Å; L87-V155 HydrophobicContact CD2-CG2 4.33Å; L88-V155 PolarHBondContact O-N 3.2Å; L89-V155 HydrophobicContact CD2-CB 4.18Å; L89-V155 HydrophobicContact CD2-CG1 4.43Å; L89-V155 HydrophobicContact CD2-CG2 3.99Å; P90-V155 WeakPolarHBondContact CD-O 3.4Å; P90-V155 WeakPolarHBondContact CG-O 3.3Å; I118-V155 HydrophobicContact CD1-CG2 4.35Å; I118-V155 HydrophobicContact CG2-CG1 4.06Å; I118-V155 HydrophobicContact CG2-CG2 4.2Å; L124-V155 HydrophobicContact CD1-CG1 3.9Å; I127-V155 HydrophobicContact CB-CG1 4.01Å; I127-V155 HydrophobicContact CD1-CG1 4.04Å; I127-V155 HydrophobicContact CG2-CG1 3.99Å; L129-V155 HydrophobicContact CD2-CB 4.23Å; L129-V155 HydrophobicContact CD2-CG1 4.22Å; L129-V155 HydrophobicContact CD2-CG2 3.79Å
156L87.5Confident71.6Confident0 Ų070.1 Ų70.10%037%0.367CS..EExtended strand (participates in β ladder)trans-107.7118.8179.7-172.3135.1000108.5I127 K128 I130 M154 V158 D243 L246 L284I127-L156 VanDerWaalsContact CA-O 3.31Å; I127-L156 WeakPolarHBondContact CA-O 3.48Å; K128-L156 PolarHBondContact N-O 2.99Å; K128-L156 PolarHBondContact O-N 3.29Å; I130-L156 HydrophobicContact CD1-CB 4.46Å; I130-L156 HydrophobicContact CD1-CD1 3.93Å; M154-L156 HydrophobicContact CE-CD1 4.23Å; L156-V158 HydrophobicContact CD2-CG2 4.16Å; L156-D243 HydrophobicContact CD1-CB 4.14Å; L156-D243 HydrophobicContact CD2-CB 3.91Å; L156-D243 HydrophobicContact CG-CB 3.88Å; L156-L246 HydrophobicContact CD1-CB 4.4Å; L156-L246 HydrophobicContact CD1-CD2 3.91Å; L156-L284 HydrophobicContact CD1-CD1 4.19Å
157K81.6Confident69.1Low64 Ų6477.2 Ų77.228%0.27839%0.39SS..EExtended strand (participates in β ladder)trans-75.5124.3172.6177177.7169.9-175.80107.6P90 E92 L124 S159P90-K157 HydrophobicContact CB-CB 4.28Å; P90-K157 HydrophobicContact CG-CB 3.78Å; E92-K157 IonicContact OE2-NZ 2.63Å; E92-K157 PolarHBondContact OE2-NZ 2.98Å; L124-K157 HydrophobicContact CD2-CD 4.43Å; K157-S159 PolarHBondContact O-N 2.9Å
158V69.3Low66.6Low18 Ų1886 Ų8611%0.10943%0.432CS..  trans-86.3113.8175.1179.30000107H126 K128 L156 Q174H126-V158 HydrophobicContact CB-CB 4.2Å; H126-V158 WeakPolarHBondContact O-CB 3.46Å; H126-V158 WeakPolarHBondContact O-CG2 3.25Å; H126-V158 PolarHBondContact O-N 3.21Å; K128-V158 HydrophobicContact CD-CG2 4.17Å; K128-V158 HydrophobicContact CG-CG2 4.11Å; L156-V158 HydrophobicContact CD2-CG2 4.16Å; V158-Q174 HydrophobicContact CG1-CB 3.31Å; V158-Q174 VanDerWaalsContact CG1-CD 3.45Å; V158-Q174 HydrophobicContact CG1-CG 3.9Å
159S57.1Low64.2Low58 Ų5883.6 Ų83.641%0.40643%0.426SS..PPolyproline II helixtrans-89.6140.5176.8-570000110.3K157K157-S159 PolarHBondContact O-N 2.9Å
160D45.3Very low62Low89 Ų8986.4 Ų86.448%0.47644%0.438SS..PPolyproline II helixtrans-68.2126.8170.2-62.1-44.6000110.1
161A39.8Very low59.4Low56 Ų5692.4 Ų92.446%0.46347%0.466SS..PPolyproline II helixtrans-100.8117.1159.200000107.1
162E36.2Very low57.3Low179 Ų17997 Ų9784%0.83648%0.484SS*.SBendtrans92.1117.8171.3-55-173.1175.100117.4V164E162-V164 PolarHBondContact O-N 3.23Å
163Q42.7Very low55.7Low198 Ų19895.6 Ų95.693%0.92548%0.483SS*.  trans-58.9112.1170.3-72.1179.9-39.900110.2
164V35.3Very low53.7Low129 Ų12996.1 Ų96.178%0.78249%0.486SS*.  trans-136.1118.3142.7-176.90000107.9E162 R166E162-V164 PolarHBondContact O-N 3.23Å; V164-R166 PolarHBondContact O-N 3.24Å
165S44.2Very low52.2Low105 Ų10598.5 Ų98.573%0.73450%0.503SS*.  trans-45.3118.3168.651.80000112.3
166R44.5Very low51.4Low220 Ų220102 Ų10283%0.8352%0.52SS*.  trans179.8117.8135.3-98160.9-171.8-176.83108.9V164 E168V164-R166 PolarHBondContact O-N 3.24Å; R166-E168 VanDerWaalsContact C-N 3.34Å; R166-E168 PolarHBondContact O-N 2.93Å
167E39.6Very low51Low185 Ų185103.4 Ų103.486%0.86453%0.529SS*.THydrogen-bonded Turntrans-59.794.8167-64.2171.2160.400107.8
168E41.5Very low51.2Low190 Ų190101.2 Ų101.289%0.88852%0.52SS*.THydrogen-bonded Turntrans171.7-6155.1-95168-167.900114.6R166R166-E168 VanDerWaalsContact C-N 3.34Å; R166-E168 PolarHBondContact O-N 2.93Å
169D44.1Very low52Low96 Ų96104.9 Ų104.951%0.51354%0.536SS..  trans-121.715-173.9-96.7-34.4000117.1Q171 K172D169-Q171 PolarHBondContact O-N 3.3Å; D169-K172 PolarHBondContact O-N 3.03Å; D169-K172 IonicContact OD1-NZ 2.69Å; D169-K172 PolarHBondContact OD1-NZ 2.99Å
170E46.6Very low53.6Low87 Ų87106.5 Ų106.541%0.40753%0.533SS..G310 helixtrans-76.4-18.9-171.3-64.7175.517200114.4H126 K172H126-E170 VanDerWaalsContact CE1-C 3.48Å; E170-K172 PolarHBondContact O-N 3.34Å
171Q39.2Very low55.7Low162 Ų162102.3 Ų102.376%0.75751%0.511SS*.G310 helixtrans-71.2-12.3177.6-131.8159.717.300113.6H126 D169H126-Q171 WeakPolarHBondContact CE1-CA 3.01Å; H126-Q171 PolarHBondContact CE1-N 2.97Å; H126-Q171 WeakPolarHBondContact ND1-CA 3.48Å; D169-Q171 PolarHBondContact O-N 3.3Å
172K46.3Very low58.3Low113 Ų113103.2 Ų103.249%0.49151%0.506SS..G310 helixtrans-104.3-15.6-172.2-63174.4-170.9151.30114.6D169 E170 Q174 S175 Q176D169-K172 PolarHBondContact O-N 3.03Å; D169-K172 IonicContact OD1-NZ 2.69Å; D169-K172 PolarHBondContact OD1-NZ 2.99Å; E170-K172 PolarHBondContact O-N 3.34Å; K172-Q174 PolarHBondContact O-N 3.36Å; K172-S175 PolarHBondContact O-N 3.02Å; K172-Q176 HydrophobicContact CB-CG 4.09Å; K172-Q176 VanDerWaalsContact CB-NE2 3.3Å; K172-Q176 WeakPolarHBondContact O-CA 3.29Å; K172-Q176 WeakPolarHBondContact O-CB 3.44Å; K172-Q176 WeakPolarHBondContact O-CG 3.26Å; K172-Q176 PolarHBondContact O-N 3.44Å
173S55.8Low60.9Low46 Ų46100.4 Ų100.432%0.32249%0.49SS..Hα-helixtrans-66.4-38.5-160.8-177.40000117Q176 S177S173-Q176 CarbonylContact O-C 3.58Å; S173-Q176 WeakPolarHBondContact O-CB 3.41Å; S173-S177 WeakPolarHBondContact O-CB 3.25Å; S173-S177 PolarHBondContact O-N 3.43Å
174Q50Low63.3Low12 Ų1291 Ų916%0.05645%0.446CS..Hα-helixtrans-93-24.6177.2-157.1-158.149.400113.9V158 K172 S177 L178 S244V158-Q174 HydrophobicContact CG1-CB 3.31Å; V158-Q174 VanDerWaalsContact CG1-CD 3.45Å; V158-Q174 HydrophobicContact CG1-CG 3.9Å; K172-Q174 PolarHBondContact O-N 3.36Å; Q174-S177 PolarHBondContact O-N 3.22Å; Q174-L178 WeakPolarHBondContact O-CB 3.47Å; Q174-L178 WeakPolarHBondContact O-CG 3.46Å; Q174-L178 PolarHBondContact O-N 2.83Å; Q174-S244 VanDerWaalsContact NE2-CA 3.26Å; Q174-S244 PolarHBondContact NE2-OG 3Å
175S60.2Low66Low59 Ų5984.9 Ų84.941%0.41341%0.409SS..Hα-helixtrans-62-42.4163.2-167.90000108.7K172 Q179K172-S175 PolarHBondContact O-N 3.02Å; S175-Q179 WeakPolarHBondContact O-CB 3.47Å; S175-Q179 WeakPolarHBondContact O-CG 3.42Å; S175-Q179 PolarHBondContact O-N 2.92Å
176Q71.8Confident68.3Low77 Ų7783.7 Ų83.736%0.3639%0.392SS..Hα-helixtrans-59.7-49166.6-75.2167.3-6.500111K172 S173 L178 Q179 R180K172-Q176 HydrophobicContact CB-CG 4.09Å; K172-Q176 VanDerWaalsContact CB-NE2 3.3Å; K172-Q176 WeakPolarHBondContact O-CA 3.29Å; K172-Q176 WeakPolarHBondContact O-CB 3.44Å; K172-Q176 WeakPolarHBondContact O-CG 3.26Å; K172-Q176 PolarHBondContact O-N 3.44Å; S173-Q176 CarbonylContact O-C 3.58Å; S173-Q176 WeakPolarHBondContact O-CB 3.41Å; Q176-L178 VanDerWaalsContact C-N 3.35Å; Q176-L178 PolarHBondContact O-N 3.5Å; Q176-Q179 CarbonylContact O-C 3.5Å; Q176-Q179 PolarHBondContact O-N 3.32Å; Q176-Q179 VanDerWaalsContact O-N 3.11Å; Q176-R180 WeakPolarHBondContact O-CA 3.5Å; Q176-R180 WeakPolarHBondContact O-CB 3.29Å; Q176-R180 WeakPolarHBondContact O-CG 3.43Å; Q176-R180 PolarHBondContact O-N 3.35Å
177S80.8Confident70.5Confident28 Ų2874.4 Ų74.420%0.19636%0.359CS..Hα-helixtrans-58.1-44.1179.4-177.50000112.8S173 Q174 R180 T181S173-S177 WeakPolarHBondContact O-CB 3.25Å; S173-S177 PolarHBondContact O-N 3.43Å; Q174-S177 PolarHBondContact O-N 3.22Å; S177-R180 PolarHBondContact O-N 3.06Å; S177-T181 WeakPolarHBondContact O-CB 3.09Å; S177-T181 PolarHBondContact O-N 3.49Å; S177-T181 PolarHBondContact O-OG1 3.04Å
178L84.9Confident72.8Confident19 Ų1965.6 Ų65.610%0.09932%0.318CS..Hα-helixtrans-64.8-44.7173.7-72.8176.1000111.6Q174 Q176 R180 T181 Q182 F229 C247 H248 Q251Q174-L178 WeakPolarHBondContact O-CB 3.47Å; Q174-L178 WeakPolarHBondContact O-CG 3.46Å; Q174-L178 PolarHBondContact O-N 2.83Å; Q176-L178 VanDerWaalsContact C-N 3.35Å; Q176-L178 PolarHBondContact O-N 3.5Å; L178-R180 VanDerWaalsContact C-N 3.35Å; L178-T181 PolarHBondContact O-N 3.28Å; L178-Q182 VanDerWaalsContact O-CB 3.24Å; L178-Q182 WeakPolarHBondContact O-CB 3.46Å; L178-Q182 PolarHBondContact O-N 3.2Å; L178-F229 HydrophobicContact CD2-CD1 4.48Å; L178-F229 HydrophobicContact CD2-CE1 3.91Å; L178-C247 HydrophobicContact CD1-CB 4.38Å; L178-C247 HydrophobicContact CD2-CB 4.45Å; L178-H248 HydrophobicContact CD2-CB 4.45Å; L178-Q251 HydrophobicContact CD1-CG 4.5Å; L178-Q251 HydrophobicContact CD2-CG 4.05Å
179Q87.1Confident75.1Confident94 Ų9457.1 Ų57.144%0.43928%0.28SS..Hα-helixtrans-66.3-35177.4-75171.10.400112.4S175 Q176 Q182 K183S175-Q179 WeakPolarHBondContact O-CB 3.47Å; S175-Q179 WeakPolarHBondContact O-CG 3.42Å; S175-Q179 PolarHBondContact O-N 2.92Å; Q176-Q179 CarbonylContact O-C 3.5Å; Q176-Q179 PolarHBondContact O-N 3.32Å; Q176-Q179 VanDerWaalsContact O-N 3.11Å; Q179-Q182 PolarHBondContact O-N 3.34Å; Q179-K183 VanDerWaalsContact O-CB 3.24Å; Q179-K183 WeakPolarHBondContact O-CB 3.27Å; Q179-K183 WeakPolarHBondContact O-CG 3.24Å; Q179-K183 PolarHBondContact O-N 3.43Å
180R89.3Confident77.1Confident93 Ų9357.7 Ų57.735%0.35128%0.279SS..Hα-helixtrans-69.8-47.3177.4-74.3175.169.680.84.7109.6Q176 S177 L178 Q182 K183 G184 L546 E549Q176-R180 WeakPolarHBondContact O-CA 3.5Å; Q176-R180 WeakPolarHBondContact O-CB 3.29Å; Q176-R180 WeakPolarHBondContact O-CG 3.43Å; Q176-R180 PolarHBondContact O-N 3.35Å; S177-R180 PolarHBondContact O-N 3.06Å; L178-R180 VanDerWaalsContact C-N 3.35Å; R180-Q182 VanDerWaalsContact C-N 3.32Å; R180-Q182 PolarHBondContact O-N 2.93Å; R180-K183 PolarHBondContact O-N 3.37Å; R180-G184 PolarHBondContact O-N 2.91Å; R180-L546 HydrophobicContact CB-CD2 3.67Å; R180-L546 HydrophobicContact CG-CD2 3.67Å; R180-E549 IonicContact CZ-OE2 2.91Å; R180-E549 IonicContact NE-OE2 3.8Å; R180-E549 PolarHBondContact NE-OE2 2.96Å; R180-E549 IonicContact NH2-OE2 3.6Å; R180-E549 PolarHBondContact NH2-OE2 3.36Å
181T90.8Very high78.9Confident0 Ų055 Ų550%027%0.265CS..Hα-helixtrans-57.6-47.1171.6-57.60000110.3S177 L178 F185 F229 K232 V550S177-T181 WeakPolarHBondContact O-CB 3.09Å; S177-T181 PolarHBondContact O-N 3.49Å; S177-T181 PolarHBondContact O-OG1 3.04Å; L178-T181 PolarHBondContact O-N 3.28Å; T181-F185 HydrophobicContact CG2-CD2 3.73Å; T181-F185 HydrophobicContact CG2-CE2 3.77Å; T181-F185 VanDerWaalsContact O-CD2 3.3Å; T181-F185 WeakPolarHBondContact O-CD2 3.28Å; T181-F185 PolarHBondContact O-N 2.93Å; T181-F229 HydrophobicContact CG2-CD1 3.65Å; T181-F229 HydrophobicContact CG2-CE1 3.57Å; T181-F229 HydrophobicContact CG2-CG 4.34Å; T181-F229 HydrophobicContact CG2-CZ 4.22Å; T181-K232 HydrophobicContact CG2-CB 4.23Å; T181-K232 HydrophobicContact CG2-CG 4.2Å; T181-V550 HydrophobicContact CG2-CG1 3.95Å
182Q92.8Very high80.5Confident76 Ų7650.5 Ų50.536%0.35525%0.246SC..Hα-helixtrans-59.8-51.8177.4-171.6172.6-15.500111.6L178 Q179 R180 F185 Q186 L225 F229L178-Q182 VanDerWaalsContact O-CB 3.24Å; L178-Q182 WeakPolarHBondContact O-CB 3.46Å; L178-Q182 PolarHBondContact O-N 3.2Å; Q179-Q182 PolarHBondContact O-N 3.34Å; R180-Q182 VanDerWaalsContact C-N 3.32Å; R180-Q182 PolarHBondContact O-N 2.93Å; Q182-F185 PolarHBondContact O-N 3.16Å; Q182-Q186 WeakPolarHBondContact O-CB 3.41Å; Q182-Q186 PolarHBondContact O-N 3.39Å; Q182-L225 HydrophobicContact CG-CD2 4.4Å; Q182-F229 HydrophobicContact CB-CE2 4.34Å; Q182-F229 HydrophobicContact CB-CZ 3.87Å
183K91.6Very high81.8Confident119 Ų11945.7 Ų45.752%0.51723%0.229SC..Hα-helixtrans-61.3-47.3179.8-77.8-179.8177.5-167.10111.2Q179 R180 F185 Q186 I187 L546Q179-K183 VanDerWaalsContact O-CB 3.24Å; Q179-K183 WeakPolarHBondContact O-CB 3.27Å; Q179-K183 WeakPolarHBondContact O-CG 3.24Å; Q179-K183 PolarHBondContact O-N 3.43Å; R180-K183 PolarHBondContact O-N 3.37Å; K183-F185 PolarHBondContact O-N 3.2Å; K183-Q186 PolarHBondContact O-N 2.94Å; K183-I187 WeakPolarHBondContact O-CB 3.35Å; K183-I187 WeakPolarHBondContact O-CD1 3.21Å; K183-I187 WeakPolarHBondContact O-CG1 3.22Å; K183-I187 PolarHBondContact O-N 3.24Å; K183-L546 HydrophobicContact CB-CD1 3.96Å; K183-L546 HydrophobicContact CD-CD1 4.28Å
184G92.1Very high82.5Confident0 Ų044.1 Ų44.10%022%0.218CC..Hα-helixtrans-60-45.8179.600000112.5R180 L188R180-G184 PolarHBondContact O-N 2.91Å; G184-L188 WeakPolarHBondContact O-CG 3.29Å; G184-L188 PolarHBondContact O-N 3.19Å
185F93.1Very high83.6Confident1 Ų146.7 Ų46.70%0.00423%0.23CC..Hα-helixtrans-72.7-29.9175.1-77.4-59.7000113.6T181 Q182 K183 L188 S189 L203 I224 L225 G228 V550 I554T181-F185 HydrophobicContact CG2-CD2 3.73Å; T181-F185 HydrophobicContact CG2-CE2 3.77Å; T181-F185 VanDerWaalsContact O-CD2 3.3Å; T181-F185 WeakPolarHBondContact O-CD2 3.28Å; T181-F185 PolarHBondContact O-N 2.93Å; Q182-F185 PolarHBondContact O-N 3.16Å; K183-F185 PolarHBondContact O-N 3.2Å; F185-L188 HydrophobicContact CD1-CD1 4.08Å; F185-L188 HydrophobicContact CE1-CD1 4.35Å; F185-L188 PolarHBondContact O-N 3.12Å; F185-S189 VanDerWaalsContact O-CB 3.31Å; F185-S189 WeakPolarHBondContact O-CB 3.4Å; F185-S189 PolarHBondContact O-N 2.97Å; F185-L203 HydrophobicContact CD1-CD1 3.92Å; F185-L203 HydrophobicContact CE1-CD1 4.13Å; F185-I224 HydrophobicContact CD1-CG2 4.45Å; F185-L225 HydrophobicContact CB-CD2 3.72Å; F185-G228 VanDerWaalsContact CE2-O 3.26Å; F185-G228 WeakPolarHBondContact CE2-O 3.47Å; F185-V550 HydrophobicContact CD2-CB 4.29Å; F185-V550 HydrophobicContact CD2-CG1 3.57Å; F185-V550 HydrophobicContact CE1-CB 4.16Å; F185-V550 HydrophobicContact CE1-CG1 4.29Å; F185-V550 HydrophobicContact CE2-CB 3.83Å; F185-V550 HydrophobicContact CE2-CG1 3.07Å; F185-V550 HydrophobicContact CG-CG1 4.33Å; F185-V550 HydrophobicContact CZ-CB 3.72Å; F185-V550 HydrophobicContact CZ-CG1 3.47Å; F185-V550 VanDerWaalsContact CZ-CG1 3.47Å; F185-I554 HydrophobicContact CE1-CD1 3.87Å; F185-I554 HydrophobicContact CE1-CG1 4.17Å; F185-I554 HydrophobicContact CZ-CD1 4.38Å; F185-I554 HydrophobicContact CZ-CG1 4.19Å
186Q91.8Very high84.1Confident80 Ų8046.4 Ų46.437%0.37422%0.224SC..Hα-helixtrans-63.9-48.4173.4179.7172.9-5.200110.4Q182 K183 L188 S189 E190Q182-Q186 WeakPolarHBondContact O-CB 3.41Å; Q182-Q186 PolarHBondContact O-N 3.39Å; K183-Q186 PolarHBondContact O-N 2.94Å; Q186-L188 VanDerWaalsContact C-N 3.32Å; Q186-L188 PolarHBondContact O-N 2.95Å; Q186-S189 WeakPolarHBondContact O-CB 3.22Å; Q186-S189 PolarHBondContact O-N 3.17Å; Q186-S189 PolarHBondContact O-OG 3.05Å; Q186-E190 VanDerWaalsContact CG-OE1 3.26Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.3Å; Q186-E190 PolarHBondContact NE2-OE1 2.95Å; Q186-E190 WeakPolarHBondContact O-CG 3.46Å; Q186-E190 PolarHBondContact O-N 3.3Å
187I90.7Very high84Confident25 Ų2544.1 Ų44.113%0.12822%0.216CC..Hα-helixtrans-55.7-48.3173.9-66.7158.4000110K183 S189 E190 R191 D543 L546 V547K183-I187 WeakPolarHBondContact O-CB 3.35Å; K183-I187 WeakPolarHBondContact O-CD1 3.21Å; K183-I187 WeakPolarHBondContact O-CG1 3.22Å; K183-I187 PolarHBondContact O-N 3.24Å; I187-S189 VanDerWaalsContact C-N 3.26Å; I187-S189 PolarHBondContact O-N 2.95Å; I187-E190 PolarHBondContact O-N 3.43Å; I187-R191 WeakPolarHBondContact O-CG 3.38Å; I187-R191 PolarHBondContact O-N 2.98Å; I187-D543 HydrophobicContact CD1-CB 3.85Å; I187-L546 HydrophobicContact CD1-CD1 4.43Å; I187-V547 HydrophobicContact CB-CG2 4.05Å; I187-V547 HydrophobicContact CD1-CG2 4.46Å; I187-V547 HydrophobicContact CG2-CG2 3.61Å
188L89.4Confident83.7Confident0 Ų051.4 Ų51.40%025%0.247CC..Hα-helixtrans-62.1-31177.2-75.5172000113.6G184 F185 Q186 P201 L203 V547 L551G184-L188 WeakPolarHBondContact O-CG 3.29Å; G184-L188 PolarHBondContact O-N 3.19Å; F185-L188 HydrophobicContact CD1-CD1 4.08Å; F185-L188 HydrophobicContact CE1-CD1 4.35Å; F185-L188 PolarHBondContact O-N 3.12Å; Q186-L188 VanDerWaalsContact C-N 3.32Å; Q186-L188 PolarHBondContact O-N 2.95Å; L188-P201 VanDerWaalsContact CD2-O 3.24Å; L188-P201 WeakPolarHBondContact CD2-O 3.34Å; L188-L203 HydrophobicContact CB-CD1 3.86Å; L188-L203 HydrophobicContact CB-CG 4.03Å; L188-L203 HydrophobicContact CD1-CD1 3.86Å; L188-L203 HydrophobicContact CD1-CG 4.16Å; L188-L203 HydrophobicContact CD2-CG 4.47Å; L188-L203 HydrophobicContact CG-CD1 4.42Å; L188-L203 HydrophobicContact CG-CG 4.46Å; L188-V547 HydrophobicContact CD1-CG1 4.35Å; L188-V547 HydrophobicContact CD2-CG1 3.7Å; L188-V547 HydrophobicContact CG-CG1 4.06Å; L188-V547 HydrophobicContact CG-CG2 4.28Å; L188-L551 HydrophobicContact CD1-CD2 4.13Å; L188-L551 HydrophobicContact CD1-CG 4.49Å
189S88.3Confident83.3Confident13 Ų1355.3 Ų55.39%0.09127%0.271CS..Hα-helixtrans-78.4-25.1179.379.50000113.9F185 Q186 I187F185-S189 VanDerWaalsContact O-CB 3.31Å; F185-S189 WeakPolarHBondContact O-CB 3.4Å; F185-S189 PolarHBondContact O-N 2.97Å; Q186-S189 WeakPolarHBondContact O-CB 3.22Å; Q186-S189 PolarHBondContact O-N 3.17Å; Q186-S189 PolarHBondContact O-OG 3.05Å; I187-S189 VanDerWaalsContact C-N 3.26Å; I187-S189 PolarHBondContact O-N 2.95Å
190E85.7Confident83.1Confident108 Ų10851.6 Ų51.651%0.50526%0.255SS..Hα-helixtrans-85.9-23.4179.7-71.6168.9-175.700112Q186 I187 D192Q186-E190 VanDerWaalsContact CG-OE1 3.26Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.3Å; Q186-E190 PolarHBondContact NE2-OE1 2.95Å; Q186-E190 WeakPolarHBondContact O-CG 3.46Å; Q186-E190 PolarHBondContact O-N 3.3Å; I187-E190 PolarHBondContact O-N 3.43Å; E190-D192 PolarHBondContact O-N 3.45Å
191R85.1Confident82.8Confident30 Ų3048.6 Ų48.611%0.11325%0.248CC..  trans-66.7124173.7-70.6170.4-178.6-1710.1110.7I187 T200 P201 F202I187-R191 WeakPolarHBondContact O-CG 3.38Å; I187-R191 PolarHBondContact O-N 2.98Å; R191-T200 HydrophobicContact CG-CG2 4.32Å; R191-P201 WeakPolarHBondContact CD-O 3.24Å; R191-P201 PolarHBondContact NH1-O 3.35Å; R191-F202 HydrophobicContact CB-CB 3.74Å
192D72.6Confident82.6Confident67 Ų6750.4 Ų50.436%0.35826%0.256SS..  trans-92.91.3-177.266.9-7.6000113.7E190 S194 R422E190-D192 PolarHBondContact O-N 3.45Å; D192-S194 VanDerWaalsContact C-N 3.33Å; D192-S194 WeakPolarHBondContact OD1-CB 3.39Å; D192-S194 PolarHBondContact OD1-N 3.19Å; D192-S194 PolarHBondContact OD1-OG 3.13Å; D192-R422 PolarHBondContact O-NH2 2.76Å
193G74.8Confident82.3Confident12 Ų1248.7 Ų48.712%0.12425%0.249CC..SBendtrans7125.2-177.700000113.7R422G193-R422 VanDerWaalsContact O-CZ 3.24Å; G193-R422 PolarHBondContact O-NH2 3.36Å
194S68.8Low81.9Confident13 Ų1347.4 Ų47.49%0.09125%0.245CC..  trans-77.1-22.4173.457.90000114.1D192 R436D192-S194 VanDerWaalsContact C-N 3.33Å; D192-S194 WeakPolarHBondContact OD1-CB 3.39Å; D192-S194 PolarHBondContact OD1-N 3.19Å; D192-S194 PolarHBondContact OD1-OG 3.13Å; S194-R436 PolarHBondContact O-NE 3.46Å
195E73.6Confident81.7Confident67 Ų6748.5 Ų48.531%0.31325%0.25SS..SBendtrans-95.7172.4179.8-63.9-168.3174.500112P197 T200E195-P197 WeakPolarHBondContact O-CD 3.43Å; E195-T200 HydrophobicContact CB-CG2 4.2Å; E195-T200 VanDerWaalsContact OE2-CB 3.29Å; E195-T200 WeakPolarHBondContact OE2-CB 3.4Å; E195-T200 VanDerWaalsContact OE2-CG2 3.23Å; E195-T200 WeakPolarHBondContact OE2-CG2 3.3Å; E195-T200 PolarHBondContact OE2-OG1 2.88Å
196D70.6Confident81.2Confident52 Ų5250.5 Ų50.528%0.27827%0.267SS..  trans-67120.6176.9-176.4-1.3000110E198 T199 T200 M423D196-E198 PolarHBondContact O-N 3.07Å; D196-E198 PolarHBondContact OD1-N 3.48Å; D196-E198 VanDerWaalsContact OD1-N 3.11Å; D196-T199 PolarHBondContact O-N 3.26Å; D196-T199 PolarHBondContact O-OG1 3.06Å; D196-T200 WeakPolarHBondContact O-CA 3.41Å; D196-T200 PolarHBondContact O-N 2.82Å; D196-M423 HydrophobicContact CB-CE 4.22Å
197P71.1Confident80.7Confident30 Ų3049.5 Ų49.520%0.19526%0.264CS..THydrogen-bonded Turntrans-62.2-22.5179.9-23.334.7000114.5E195 P201 F202E195-P197 WeakPolarHBondContact O-CD 3.43Å; P197-P201 WeakPolarHBondContact O-CA 3.34Å; P197-F202 HydrophobicContact CG-CD1 4.48Å; P197-F202 HydrophobicContact CG-CE1 4.11Å
198E74Confident79.8Confident180 Ų18054.1 Ų54.184%0.84129%0.285SS*.THydrogen-bonded Turntrans-70.5-34.3177.3-66.9-170.4178.100111.8D196D196-E198 PolarHBondContact O-N 3.07Å; D196-E198 PolarHBondContact OD1-N 3.48Å; D196-E198 VanDerWaalsContact OD1-N 3.11Å
199T77Confident79.1Confident101 Ų10161 Ų6162%0.6232%0.315SS*.THydrogen-bonded Turntrans-95.7-33.4177.362.40000112.3D196D196-T199 PolarHBondContact O-N 3.26Å; D196-T199 PolarHBondContact O-OG1 3.06Å
200T81.5Confident78.5Confident17 Ų1762.3 Ų62.310%0.10433%0.331CS..SBendtrans-132.376.5-173-470000109.9R191 E195 D196R191-T200 HydrophobicContact CG-CG2 4.32Å; E195-T200 HydrophobicContact CB-CG2 4.2Å; E195-T200 VanDerWaalsContact OE2-CB 3.29Å; E195-T200 WeakPolarHBondContact OE2-CB 3.4Å; E195-T200 VanDerWaalsContact OE2-CG2 3.23Å; E195-T200 WeakPolarHBondContact OE2-CG2 3.3Å; E195-T200 PolarHBondContact OE2-OG1 2.88Å; D196-T200 WeakPolarHBondContact O-CA 3.41Å; D196-T200 PolarHBondContact O-N 2.82Å
201P83.9Confident78.2Confident29 Ų2960.1 Ų60.119%0.18832%0.323CS..  trans-62.6146.6-179.324-34000111.6L188 R191 P197 V547 L551L188-P201 VanDerWaalsContact CD2-O 3.24Å; L188-P201 WeakPolarHBondContact CD2-O 3.34Å; R191-P201 WeakPolarHBondContact CD-O 3.24Å; R191-P201 PolarHBondContact NH1-O 3.35Å; P197-P201 WeakPolarHBondContact O-CA 3.34Å; P201-V547 HydrophobicContact CG-CG1 3.76Å; P201-L551 HydrophobicContact CB-CD1 3.94Å; P201-L551 HydrophobicContact CG-CD1 3.65Å
202F85.4Confident78.1Confident38 Ų3861.9 Ų61.917%0.16734%0.338CS..  trans-136.6163.3177.677-79000110.5R191 P197 E204R191-F202 HydrophobicContact CB-CB 3.74Å; P197-F202 HydrophobicContact CG-CD1 4.48Å; P197-F202 HydrophobicContact CG-CE1 4.11Å; F202-E204 HydrophobicContact CE2-CB 3.98Å
203L86.6Confident78.5Confident41 Ų4162.2 Ų62.222%0.21534%0.339CS..  trans-108.3132.2177.5-66.5176.4000111.8F185 L188 I224 I554F185-L203 HydrophobicContact CD1-CD1 3.92Å; F185-L203 HydrophobicContact CE1-CD1 4.13Å; L188-L203 HydrophobicContact CB-CD1 3.86Å; L188-L203 HydrophobicContact CB-CG 4.03Å; L188-L203 HydrophobicContact CD1-CD1 3.86Å; L188-L203 HydrophobicContact CD1-CG 4.16Å; L188-L203 HydrophobicContact CD2-CG 4.47Å; L188-L203 HydrophobicContact CG-CD1 4.42Å; L188-L203 HydrophobicContact CG-CG 4.46Å; L203-I224 HydrophobicContact CB-CD1 4.24Å; L203-I224 HydrophobicContact CD1-CG2 3.66Å; L203-I554 HydrophobicContact CD1-CD1 4.49Å; L203-I554 HydrophobicContact CD2-CD1 4.05Å
204E84.8Confident78.8Confident92 Ų9270.2 Ų70.243%0.4337%0.37SS..  trans-119.6135.3173.9-169.7163.7-139.600110F202 P212F202-E204 HydrophobicContact CE2-CB 3.98Å; E204-P212 HydrophobicContact CG-CB 4.25Å; E204-P212 HydrophobicContact CG-CG 4.39Å; E204-P212 WeakPolarHBondContact OE1-CB 3.35Å; E204-P212 VanDerWaalsContact OE1-CG 3.28Å; E204-P212 WeakPolarHBondContact OE1-CG 3.48Å
205I86.1Confident79.4Confident22 Ų2270.9 Ų70.911%0.11337%0.373CS..  trans-92.9120.5176.9-53.3-175000107.4L213 I215 K220 L223 I224I205-L213 HydrophobicContact CG2-CD1 4.21Å; I205-L213 PolarHBondContact O-N 3.46Å; I205-I215 HydrophobicContact CB-CD1 4.3Å; I205-I215 HydrophobicContact CD1-CD1 4.16Å; I205-I215 HydrophobicContact CG2-CD1 3.89Å; I205-K220 HydrophobicContact CD1-CG 3.86Å; I205-K220 HydrophobicContact CG1-CG 4.37Å; I205-L223 HydrophobicContact CD1-CB 3.93Å; I205-L223 HydrophobicContact CD1-CD2 3.61Å; I205-L223 HydrophobicContact CD1-CG 3.8Å; I205-L223 HydrophobicContact CG2-CD2 4.26Å; I205-I224 HydrophobicContact CD1-CG1 4.07Å; I205-I224 HydrophobicContact CG1-CG1 4.2Å
206A84.2Confident80Confident44 Ų4471.6 Ų71.636%0.36438%0.383SS..BIsolated β-bridgetrans-125.6161.8-178.400000111.9N211A206-N211 CarbonylContact C-O 3.52Å; A206-N211 WeakPolarHBondContact CA-O 3.33Å; A206-N211 WeakPolarHBondContact CB-O 3.16Å
207D79.8Confident80.5Confident59 Ų5976.5 Ų76.532%0.31640%0.404SS..  trans-72.8176.5167.372.59.2000111.7K209 G210 N211 L213D207-K209 PolarHBondContact O-N 3.32Å; D207-K209 VanDerWaalsContact OD1-CA 3.31Å; D207-K209 WeakPolarHBondContact OD1-CA 3.3Å; D207-K209 WeakPolarHBondContact OD1-CB 3.49Å; D207-K209 PolarHBondContact OD1-N 3.04Å; D207-G210 PolarHBondContact O-N 3.49Å; D207-G210 PolarHBondContact OD1-N 2.94Å; D207-G210 VanDerWaalsContact OD1-N 3.1Å; D207-N211 PolarHBondContact N-O 3.41Å; D207-N211 WeakPolarHBondContact OD1-CB 3.41Å; D207-N211 PolarHBondContact OD1-N 3.24Å; D207-N211 PolarHBondContact OD1-ND2 3.42Å; D207-N211 PolarHBondContact OD2-ND2 3.06Å; D207-L213 HydrophobicContact CB-CD2 4.16Å
208Q73.3Confident81.1Confident121 Ų12181.3 Ų81.357%0.56543%0.429SS*.THydrogen-bonded Turntrans-61.4-5177.270.1-172.124.200115.2
209K72.9Confident81.7Confident146 Ų14674.7 Ų74.764%0.63540%0.398SS*.THydrogen-bonded Turntrans-109.85.4176.2-63.8-176.1178.2-1780111.8D207D207-K209 PolarHBondContact O-N 3.32Å; D207-K209 VanDerWaalsContact OD1-CA 3.31Å; D207-K209 WeakPolarHBondContact OD1-CA 3.3Å; D207-K209 WeakPolarHBondContact OD1-CB 3.49Å; D207-K209 PolarHBondContact OD1-N 3.04Å
210G76.6Confident82.2Confident40 Ų4072.5 Ų72.541%0.41238%0.379SS..SBendtrans76.220.4-177.900000114D207D207-G210 PolarHBondContact O-N 3.49Å; D207-G210 PolarHBondContact OD1-N 2.94Å; D207-G210 VanDerWaalsContact OD1-N 3.1Å
211N80.4Confident82.5Confident62 Ų6275.4 Ų75.433%0.33239%0.391SS..PPolyproline II helixtrans-88.5128.4173.9-54-58.3000110.5A206 D207 L213A206-N211 CarbonylContact C-O 3.52Å; A206-N211 WeakPolarHBondContact CA-O 3.33Å; A206-N211 WeakPolarHBondContact CB-O 3.16Å; D207-N211 PolarHBondContact N-O 3.41Å; D207-N211 WeakPolarHBondContact OD1-CB 3.41Å; D207-N211 PolarHBondContact OD1-N 3.24Å; D207-N211 PolarHBondContact OD1-ND2 3.42Å; D207-N211 PolarHBondContact OD2-ND2 3.06Å; N211-L213 PolarHBondContact O-N 3.03Å
212P81.4Confident82.9Confident66 Ų6674.6 Ų74.643%0.42939%0.387SS..BIsolated β-bridgetrans-58.6134.7178.7-26.135.1000113E204E204-P212 HydrophobicContact CG-CB 4.25Å; E204-P212 HydrophobicContact CG-CG 4.39Å; E204-P212 WeakPolarHBondContact OE1-CB 3.35Å; E204-P212 VanDerWaalsContact OE1-CG 3.28Å; E204-P212 WeakPolarHBondContact OE1-CG 3.48Å
213L82.4Confident83.2Confident74 Ų7473.6 Ų73.639%0.38738%0.383SS..PPolyproline II helixtrans-89.8135.7176.8-66.7179.3000111.2I205 D207 N211 I215 M263I205-L213 HydrophobicContact CG2-CD1 4.21Å; I205-L213 PolarHBondContact O-N 3.46Å; D207-L213 HydrophobicContact CB-CD2 4.16Å; N211-L213 PolarHBondContact O-N 3.03Å; L213-I215 HydrophobicContact CB-CD1 3.92Å; L213-I215 HydrophobicContact CB-CG1 3.98Å; L213-I215 HydrophobicContact CD1-CD1 4.42Å; L213-I215 PolarHBondContact O-N 3.26Å; L213-M263 HydrophobicContact CD1-CE 4.38Å
214K80.6Confident83.4Confident180 Ų18072 Ų7278%0.78337%0.374SS*.  trans-82.796.8174.2-67.1-176.4178.8-178.80109.5Q447K214-Q447 VanDerWaalsContact NZ-NE2 3.17Å
215I81.4Confident83.8Confident27 Ų2768.5 Ų68.514%0.13836%0.358CS..  trans-120.4139.2-178.9-56.3173.2000108.5I205 L213 E219 K220 L223 M263I205-I215 HydrophobicContact CB-CD1 4.3Å; I205-I215 HydrophobicContact CD1-CD1 4.16Å; I205-I215 HydrophobicContact CG2-CD1 3.89Å; L213-I215 HydrophobicContact CB-CD1 3.92Å; L213-I215 HydrophobicContact CB-CG1 3.98Å; L213-I215 HydrophobicContact CD1-CD1 4.42Å; L213-I215 PolarHBondContact O-N 3.26Å; I215-E219 HydrophobicContact CG2-CB 3.8Å; I215-E219 HydrophobicContact CG2-CG 3.74Å; I215-K220 HydrophobicContact CB-CB 4.43Å; I215-K220 HydrophobicContact CG2-CB 4.27Å; I215-L223 HydrophobicContact CD1-CD2 4.09Å; I215-M263 HydrophobicContact CD1-CE 3.87Å; I215-M263 HydrophobicContact CG1-CE 4.5Å
216P85Confident84.2Confident83 Ų8367.4 Ų67.454%0.53935%0.353SS..  trans-51.5145.2171.7-25.634.5000112D218 E219 K220P216-D218 PolarHBondContact O-N 2.91Å; P216-E219 HydrophobicContact CB-CB 4.32Å; P216-E219 PolarHBondContact O-N 2.8Å; P216-K220 WeakPolarHBondContact O-CB 3.34Å; P216-K220 PolarHBondContact O-N 3.12Å
217Q82.1Confident84.6Confident154 Ų15468.5 Ų68.572%0.7235%0.351SS*.Hα-helixtrans-58-43.9-173.7-83.2-179-16.600113.3E219 K220 K221Q217-E219 VanDerWaalsContact C-N 3.34Å; Q217-E219 PolarHBondContact O-N 3.03Å; Q217-K220 PolarHBondContact O-N 3.16Å; Q217-K221 WeakPolarHBondContact O-CG 3.27Å; Q217-K221 PolarHBondContact O-N 3.46Å
218D83.8Confident85.2Confident132 Ų13265.9 Ų65.971%0.70634%0.338SS*.Hα-helixtrans-65.3-40.1-179.5-63.1-28.3000111.9P216 K221 A222P216-D218 PolarHBondContact O-N 2.91Å; D218-K221 PolarHBondContact O-N 2.73Å; D218-A222 WeakPolarHBondContact O-CB 3.43Å; D218-A222 PolarHBondContact O-N 3.1Å
219E86.9Confident86.3Confident40 Ų4060.2 Ų60.219%0.18731%0.312CS..Hα-helixtrans-69.5-38.8175.8-174.7172.1-158.600111.3I215 P216 Q217 A222 L223 G260I215-E219 HydrophobicContact CG2-CB 3.8Å; I215-E219 HydrophobicContact CG2-CG 3.74Å; P216-E219 HydrophobicContact CB-CB 4.32Å; P216-E219 PolarHBondContact O-N 2.8Å; Q217-E219 VanDerWaalsContact C-N 3.34Å; Q217-E219 PolarHBondContact O-N 3.03Å; E219-A222 PolarHBondContact O-N 3.43Å; E219-L223 VanDerWaalsContact O-CB 3.28Å; E219-L223 WeakPolarHBondContact O-CB 3.08Å; E219-L223 PolarHBondContact O-N 3.1Å; E219-G260 WeakPolarHBondContact OE1-CA 3.27Å; E219-G260 PolarHBondContact OE1-N 3.16Å
220K86.8Confident87.4Confident55 Ų5553.3 Ų53.324%0.23928%0.282CS..Hα-helixtrans-59.9-46.7173.8-178.1-178.2175.7-175.40111I205 I215 P216 Q217 L223 I224I205-K220 HydrophobicContact CD1-CG 3.86Å; I205-K220 HydrophobicContact CG1-CG 4.37Å; I215-K220 HydrophobicContact CB-CB 4.43Å; I215-K220 HydrophobicContact CG2-CB 4.27Å; P216-K220 WeakPolarHBondContact O-CB 3.34Å; P216-K220 PolarHBondContact O-N 3.12Å; Q217-K220 PolarHBondContact O-N 3.16Å; K220-L223 PolarHBondContact O-N 3.35Å; K220-I224 HydrophobicContact CG-CD1 4Å; K220-I224 WeakPolarHBondContact O-CG1 3.48Å; K220-I224 PolarHBondContact O-N 3.36Å
221K88.9Confident88.2Confident79 Ų7953 Ų5334%0.34327%0.27SS..Hα-helixtrans-61.1-47.4176.9-72.9178.9179.5-174.80111.4Q217 D218 L223 I224 L225Q217-K221 WeakPolarHBondContact O-CG 3.27Å; Q217-K221 PolarHBondContact O-N 3.46Å; D218-K221 PolarHBondContact O-N 2.73Å; K221-L223 VanDerWaalsContact C-N 3.31Å; K221-L223 PolarHBondContact O-N 2.91Å; K221-I224 PolarHBondContact O-N 3.5Å; K221-L225 WeakPolarHBondContact O-CG 3.29Å; K221-L225 PolarHBondContact O-N 3.49Å
222A91.1Very high88.8Confident12 Ų1250.7 Ų50.710%0.09926%0.257CS..Hα-helixtrans-60-41.9177.200000111.9D218 E219 L225 A226 R258D218-A222 WeakPolarHBondContact O-CB 3.43Å; D218-A222 PolarHBondContact O-N 3.1Å; E219-A222 PolarHBondContact O-N 3.43Å; A222-L225 PolarHBondContact O-N 3.14Å; A222-A226 VanDerWaalsContact O-CB 3.29Å; A222-A226 WeakPolarHBondContact O-CB 3.44Å; A222-A226 PolarHBondContact O-N 2.97Å; A222-R258 HydrophobicContact CB-CB 4.35Å
223L91.4Very high89.4Confident17 Ų1747.6 Ų47.69%0.08924%0.236CC..Hα-helixtrans-69.1-41180-174.254.9000112.5I205 I215 E219 K220 K221 L225 A226 M227 F256 M263I205-L223 HydrophobicContact CD1-CB 3.93Å; I205-L223 HydrophobicContact CD1-CD2 3.61Å; I205-L223 HydrophobicContact CD1-CG 3.8Å; I205-L223 HydrophobicContact CG2-CD2 4.26Å; I215-L223 HydrophobicContact CD1-CD2 4.09Å; E219-L223 VanDerWaalsContact O-CB 3.28Å; E219-L223 WeakPolarHBondContact O-CB 3.08Å; E219-L223 PolarHBondContact O-N 3.1Å; K220-L223 PolarHBondContact O-N 3.35Å; K221-L223 VanDerWaalsContact C-N 3.31Å; K221-L223 PolarHBondContact O-N 2.91Å; L223-L225 PolarHBondContact O-N 3.18Å; L223-A226 PolarHBondContact O-N 2.94Å; L223-M227 HydrophobicContact CD1-CG 4.13Å; L223-M227 HydrophobicContact CD1-SD 4.19Å; L223-M227 HydrophobicContact CG-SD 4.16Å; L223-M227 WeakPolarHBondContact O-CB 3.22Å; L223-M227 WeakPolarHBondContact O-CG 3.49Å; L223-M227 PolarHBondContact O-N 3.48Å; L223-F256 HydrophobicContact CD1-CD1 4.22Å; L223-F256 HydrophobicContact CD1-CE1 3.65Å; L223-M263 HydrophobicContact CD2-CE 4.43Å
224I91.6Very high90Very high6 Ų645.2 Ų45.23%0.03122%0.222CC..Hα-helixtrans-59.1-48.1173.9-72.9169.4000110.5F185 L203 I205 K220 K221 A226 G228F185-I224 HydrophobicContact CD1-CG2 4.45Å; L203-I224 HydrophobicContact CB-CD1 4.24Å; L203-I224 HydrophobicContact CD1-CG2 3.66Å; I205-I224 HydrophobicContact CD1-CG1 4.07Å; I205-I224 HydrophobicContact CG1-CG1 4.2Å; K220-I224 HydrophobicContact CG-CD1 4Å; K220-I224 WeakPolarHBondContact O-CG1 3.48Å; K220-I224 PolarHBondContact O-N 3.36Å; K221-I224 PolarHBondContact O-N 3.5Å; I224-A226 PolarHBondContact O-N 2.87Å; I224-G228 PolarHBondContact O-N 2.97Å
225L93.4Very high90.6Very high19 Ų1937.5 Ų37.510%0.09919%0.191CC..Hα-helixtrans-61.6-44.7177-73.4164.9000111.3Q182 F185 K221 A222 L223 G228 F229 H255Q182-L225 HydrophobicContact CG-CD2 4.4Å; F185-L225 HydrophobicContact CB-CD2 3.72Å; K221-L225 WeakPolarHBondContact O-CG 3.29Å; K221-L225 PolarHBondContact O-N 3.49Å; A222-L225 PolarHBondContact O-N 3.14Å; L223-L225 PolarHBondContact O-N 3.18Å; L225-G228 PolarHBondContact O-N 3.43Å; L225-F229 WeakPolarHBondContact O-CB 3.2Å; L225-F229 VanDerWaalsContact O-CD2 3.23Å; L225-F229 WeakPolarHBondContact O-CD2 3.44Å; L225-F229 PolarHBondContact O-N 3.33Å; L225-H255 HydrophobicContact CB-CB 4.46Å
226A94.1Very high91.1Very high0 Ų036.7 Ų36.70%019%0.187CC..Hα-helixtrans-60.1-49.6179.800000112.3A222 L223 I224 H230 A252 H255 F256A222-A226 VanDerWaalsContact O-CB 3.29Å; A222-A226 WeakPolarHBondContact O-CB 3.44Å; A222-A226 PolarHBondContact O-N 2.97Å; L223-A226 PolarHBondContact O-N 2.94Å; I224-A226 PolarHBondContact O-N 2.87Å; A226-H230 WeakPolarHBondContact O-CB 3.46Å; A226-H230 PolarHBondContact O-N 2.89Å; A226-A252 WeakPolarHBondContact O-CB 3.5Å; A226-H255 HydrophobicContact CB-CB 3.63Å; A226-F256 HydrophobicContact CB-CB 4.4Å; A226-F256 HydrophobicContact CB-CD1 3.88Å; A226-F256 HydrophobicContact CB-CD2 3.58Å; A226-F256 HydrophobicContact CB-CE1 3.99Å; A226-F256 HydrophobicContact CB-CE2 3.7Å; A226-F256 HydrophobicContact CB-CG 3.68Å; A226-F256 HydrophobicContact CB-CZ 3.91Å
227M92.3Very high91.4Very high67 Ų6733.7 Ų33.733%0.3317%0.166SC..Hα-helixtrans-65-42.6177.5-69.7179.46600111.4L223 H230 E231 F256L223-M227 HydrophobicContact CD1-CG 4.13Å; L223-M227 HydrophobicContact CD1-SD 4.19Å; L223-M227 HydrophobicContact CG-SD 4.16Å; L223-M227 WeakPolarHBondContact O-CB 3.22Å; L223-M227 WeakPolarHBondContact O-CG 3.49Å; L223-M227 PolarHBondContact O-N 3.48Å; M227-H230 WeakPolarHBondContact O-CB 3.46Å; M227-H230 PolarHBondContact O-N 3.21Å; M227-H230 VanDerWaalsContact O-N 3.15Å; M227-E231 WeakPolarHBondContact O-CG 3.48Å; M227-E231 PolarHBondContact O-N 3.42Å; M227-F256 HydrophobicContact CG-CZ 4.21Å
228G93.4Very high91.9Very high4 Ų432.5 Ų32.54%0.04116%0.158CC..Hα-helixtrans-61-47.7179.100000113.2F185 I224 L225 H230 E231 K232F185-G228 VanDerWaalsContact CE2-O 3.26Å; F185-G228 WeakPolarHBondContact CE2-O 3.47Å; I224-G228 PolarHBondContact O-N 2.97Å; L225-G228 PolarHBondContact O-N 3.43Å; G228-H230 VanDerWaalsContact C-N 3.29Å; G228-H230 PolarHBondContact O-N 2.87Å; G228-E231 PolarHBondContact O-N 3.34Å; G228-K232 PolarHBondContact O-N 2.98Å
229F95.4Very high92.2Very high1 Ų132.9 Ų32.90%0.00415%0.15CC..Hα-helixtrans-62.8-35.1173.6-85.5-66000112.7L178 T181 Q182 L225 G233 H248 Q251 A252 H255L178-F229 HydrophobicContact CD2-CD1 4.48Å; L178-F229 HydrophobicContact CD2-CE1 3.91Å; T181-F229 HydrophobicContact CG2-CD1 3.65Å; T181-F229 HydrophobicContact CG2-CE1 3.57Å; T181-F229 HydrophobicContact CG2-CG 4.34Å; T181-F229 HydrophobicContact CG2-CZ 4.22Å; Q182-F229 HydrophobicContact CB-CE2 4.34Å; Q182-F229 HydrophobicContact CB-CZ 3.87Å; L225-F229 WeakPolarHBondContact O-CB 3.2Å; L225-F229 VanDerWaalsContact O-CD2 3.23Å; L225-F229 WeakPolarHBondContact O-CD2 3.44Å; L225-F229 PolarHBondContact O-N 3.33Å; F229-G233 PolarHBondContact O-N 2.92Å; F229-H248 HydrophobicContact CD1-CB 4.23Å; F229-H248 AromaticContact CD1-CD2 3.84Å; F229-Q251 HydrophobicContact CD1-CB 3.96Å; F229-Q251 HydrophobicContact CD2-CB 4.15Å; F229-Q251 HydrophobicContact CE1-CB 4.07Å; F229-Q251 HydrophobicContact CE1-CG 4.44Å; F229-Q251 HydrophobicContact CE2-CB 4.24Å; F229-Q251 HydrophobicContact CG-CB 4.01Å; F229-Q251 HydrophobicContact CZ-CB 4.19Å; F229-A252 HydrophobicContact CB-CB 3.72Å; F229-H255 AromaticContact CD2-CD2 3.8Å; F229-H255 AromaticContact CE2-CD2 3.9Å; F229-H255 AromaticContact CE2-NE2 3.77Å
230H95.6Very high92.3Very high1 Ų137.1 Ų37.11%0.00516%0.164CC..Hα-helixtrans-66.9-44.2176.6-175-161.1000111.8A226 M227 G228 G233 R234 A252 L273 D276A226-H230 WeakPolarHBondContact O-CB 3.46Å; A226-H230 PolarHBondContact O-N 2.89Å; M227-H230 WeakPolarHBondContact O-CB 3.46Å; M227-H230 PolarHBondContact O-N 3.21Å; M227-H230 VanDerWaalsContact O-N 3.15Å; G228-H230 VanDerWaalsContact C-N 3.29Å; G228-H230 PolarHBondContact O-N 2.87Å; H230-G233 PolarHBondContact O-N 3.39Å; H230-R234 PolarHBondContact CD2-NE 3.38Å; H230-R234 PolarHBondContact ND1-NH2 3.43Å; H230-R234 PolarHBondContact NE2-NE 3.17Å; H230-R234 PolarHBondContact O-N 2.86Å; H230-A252 HydrophobicContact CB-CB 4.13Å; H230-L273 HydrophobicContact CB-CD1 4.45Å; H230-D276 IonicContact CD2-OD2 2.73Å; H230-D276 IonicContact CE1-OD2 3.06Å; H230-D276 IonicContact NE2-OD2 3.56Å; H230-D276 PolarHBondContact NE2-OD2 3.48Å
231E94Very high92.5Very high34 Ų3437.7 Ų37.716%0.15917%0.168CC..Hα-helixtrans-61.9-47.5174.6-70-62.1157.400111.5M227 G228 G233 R234 S235M227-E231 WeakPolarHBondContact O-CG 3.48Å; M227-E231 PolarHBondContact O-N 3.42Å; G228-E231 PolarHBondContact O-N 3.34Å; E231-G233 VanDerWaalsContact C-N 3.29Å; E231-G233 PolarHBondContact O-N 3.18Å; E231-R234 PolarHBondContact O-N 2.87Å; E231-R234 VanDerWaalsContact O-N 3.09Å; E231-R234 IonicContact OE1-CZ 3.91Å; E231-R234 IonicContact OE1-NH1 3.18Å; E231-R234 PolarHBondContact OE1-NH1 3.42Å; E231-R234 IonicContact OE1-NH2 3.87Å; E231-R234 PolarHBondContact OE1-NH2 2.81Å; E231-R234 IonicContact OE2-CZ 3.87Å; E231-R234 IonicContact OE2-NH1 2.68Å; E231-R234 PolarHBondContact OE2-NH1 2.95Å; E231-R234 IonicContact OE2-NH2 3.65Å; E231-S235 PolarHBondContact O-N 3.03Å
232K93.3Very high92.6Very high14 Ų1435.2 Ų35.26%0.06116%0.157CC..Hα-helixtrans-56.1-45.1173.7-175.569.3174-160.70111.4T181 G228 R234 S235 L236 H248 E549 D553T181-K232 HydrophobicContact CG2-CB 4.23Å; T181-K232 HydrophobicContact CG2-CG 4.2Å; G228-K232 PolarHBondContact O-N 2.98Å; K232-R234 PolarHBondContact O-N 3.27Å; K232-S235 WeakPolarHBondContact O-CB 3.4Å; K232-S235 PolarHBondContact O-N 3.33Å; K232-L236 HydrophobicContact CG-CD1 4.27Å; K232-L236 VanDerWaalsContact O-CG 3.31Å; K232-L236 WeakPolarHBondContact O-CG 3.14Å; K232-L236 PolarHBondContact O-N 3.11Å; K232-H248 WeakPolarHBondContact CG-CD2 3.26Å; K232-E549 IonicContact NZ-OE1 3.87Å; K232-E549 PolarHBondContact NZ-OE1 2.91Å; K232-D553 HydrophobicContact CD-CB 4.01Å; K232-D553 WeakPolarHBondContact CD-OD2 3.49Å; K232-D553 VanDerWaalsContact CE-OD2 3.3Å; K232-D553 WeakPolarHBondContact CE-OD2 3.5Å; K232-D553 IonicContact NZ-OD2 2.87Å; K232-D553 PolarHBondContact NZ-OD2 3.44Å
233G94.4Very high92.4Very high0 Ų036.5 Ų36.50%016%0.162CC..Hα-helixtrans-57.4-45.6175.200000112.6F229 H230 E231 L236 M237 A245F229-G233 PolarHBondContact O-N 2.92Å; H230-G233 PolarHBondContact O-N 3.39Å; E231-G233 VanDerWaalsContact C-N 3.29Å; E231-G233 PolarHBondContact O-N 3.18Å; G233-L236 PolarHBondContact O-N 3.29Å; G233-M237 VanDerWaalsContact O-CG 3.31Å; G233-M237 WeakPolarHBondContact O-CG 3.4Å; G233-M237 PolarHBondContact O-N 3.43Å; G233-A245 WeakPolarHBondContact O-CB 3.28Å
234R94.4Very high92.2Very high24 Ų2436.3 Ų36.39%0.09116%0.162CC..Hα-helixtrans-66.3-41.2177.2-81.4-174.6-87.6138.7-9.3112.9H230 E231 K232 L236 M237 K238H230-R234 PolarHBondContact CD2-NE 3.38Å; H230-R234 PolarHBondContact ND1-NH2 3.43Å; H230-R234 PolarHBondContact NE2-NE 3.17Å; H230-R234 PolarHBondContact O-N 2.86Å; E231-R234 PolarHBondContact O-N 2.87Å; E231-R234 VanDerWaalsContact O-N 3.09Å; E231-R234 IonicContact OE1-CZ 3.91Å; E231-R234 IonicContact OE1-NH1 3.18Å; E231-R234 PolarHBondContact OE1-NH1 3.42Å; E231-R234 IonicContact OE1-NH2 3.87Å; E231-R234 PolarHBondContact OE1-NH2 2.81Å; E231-R234 IonicContact OE2-CZ 3.87Å; E231-R234 IonicContact OE2-NH1 2.68Å; E231-R234 PolarHBondContact OE2-NH1 2.95Å; E231-R234 IonicContact OE2-NH2 3.65Å; K232-R234 PolarHBondContact O-N 3.27Å; R234-L236 VanDerWaalsContact C-N 3.29Å; R234-L236 PolarHBondContact O-N 3.1Å; R234-M237 HydrophobicContact CG-SD 4.44Å; R234-M237 WeakPolarHBondContact O-CB 3.25Å; R234-M237 PolarHBondContact O-N 2.93Å; R234-M237 VanDerWaalsContact O-N 3.17Å; R234-K238 WeakPolarHBondContact O-CG 3.31Å; R234-K238 PolarHBondContact O-N 3.11Å
235S92.2Very high92.3Very high18 Ų1836 Ų3613%0.12616%0.161CC..Hα-helixtrans-54.7-46.6172.6176.90000110.9E231 K232 K238 R239 D553E231-S235 PolarHBondContact O-N 3.03Å; K232-S235 WeakPolarHBondContact O-CB 3.4Å; K232-S235 PolarHBondContact O-N 3.33Å; S235-K238 PolarHBondContact O-N 2.92Å; S235-R239 WeakPolarHBondContact O-CG 3.4Å; S235-R239 PolarHBondContact O-N 3.42Å; S235-R239 PolarHBondContact OG-NH2 3.08Å; S235-D553 VanDerWaalsContact CB-OD1 3.27Å; S235-D553 WeakPolarHBondContact CB-OD1 3.34Å; S235-D553 PolarHBondContact OG-OD1 3.15Å
236L92Very high92.3Very high11 Ų1135.1 Ų35.16%0.05816%0.156CC..Hα-helixtrans-66.4-37.8176.3-66.4167.2000113K232 G233 R234 K238 R239 R240 Q241 A245 H248K232-L236 HydrophobicContact CG-CD1 4.27Å; K232-L236 VanDerWaalsContact O-CG 3.31Å; K232-L236 WeakPolarHBondContact O-CG 3.14Å; K232-L236 PolarHBondContact O-N 3.11Å; G233-L236 PolarHBondContact O-N 3.29Å; R234-L236 VanDerWaalsContact C-N 3.29Å; R234-L236 PolarHBondContact O-N 3.1Å; L236-K238 VanDerWaalsContact C-N 3.35Å; L236-K238 PolarHBondContact O-N 2.64Å; L236-R239 CarbonylContact O-C 3.55Å; L236-R239 PolarHBondContact O-N 3.36Å; L236-R240 PolarHBondContact O-N 2.84Å; L236-Q241 HydrophobicContact CB-CB 4.42Å; L236-Q241 HydrophobicContact CD2-CB 4.39Å; L236-Q241 PolarHBondContact O-N 3.28Å; L236-A245 HydrophobicContact CB-CB 3.8Å; L236-H248 WeakPolarHBondContact CD1-ND1 3.49Å
237M93.1Very high92.1Very high19 Ų1935.2 Ų35.29%0.09416%0.157CC..Hα-helixtrans-61.3-42173.8-69.816876.300111.8G233 R234 R239 R240 F242 A245 L249 D276 W279G233-M237 VanDerWaalsContact O-CG 3.31Å; G233-M237 WeakPolarHBondContact O-CG 3.4Å; G233-M237 PolarHBondContact O-N 3.43Å; R234-M237 HydrophobicContact CG-SD 4.44Å; R234-M237 WeakPolarHBondContact O-CB 3.25Å; R234-M237 PolarHBondContact O-N 2.93Å; R234-M237 VanDerWaalsContact O-N 3.17Å; M237-R239 PolarHBondContact O-N 2.79Å; M237-R240 WeakPolarHBondContact O-CA 3.32Å; M237-R240 PolarHBondContact O-N 3.18Å; M237-F242 HydrophobicContact CB-CE1 4.42Å; M237-F242 HydrophobicContact CG-CD1 4.39Å; M237-F242 HydrophobicContact CG-CE1 4.47Å; M237-A245 HydrophobicContact CG-CB 3.61Å; M237-L249 HydrophobicContact SD-CD1 3.91Å; M237-D276 HydrophobicContact CE-CB 4.03Å; M237-D276 HydrophobicContact SD-CB 3.98Å; M237-W279 HydrophobicContact CE-CB 4.11Å; M237-W279 HydrophobicContact CE-CG 4.11Å
238K90.9Very high92.2Very high130 Ų13032 Ų3257%0.56514%0.141SC*.Hα-helixtrans-60.4-34.5175.4-69.8-178.9-177.8-173.10111.9R234 S235 L236 R240 D560R234-K238 WeakPolarHBondContact O-CG 3.31Å; R234-K238 PolarHBondContact O-N 3.11Å; S235-K238 PolarHBondContact O-N 2.92Å; L236-K238 VanDerWaalsContact C-N 3.35Å; L236-K238 PolarHBondContact O-N 2.64Å; K238-R240 PolarHBondContact O-N 2.8Å; K238-D560 IonicContact NZ-OD1 2.62Å; K238-D560 PolarHBondContact NZ-OD1 3.26Å; K238-D560 IonicContact NZ-OD2 3.43Å; K238-D560 PolarHBondContact NZ-OD2 3Å
239R90.4Very high92.3Very high140 Ų14031.8 Ų31.853%0.52814%0.139SC..THydrogen-bonded Turntrans-80.96.2174.1-59.5175.1-163.4-174.75.1113.8S235 L236 M237 Q241 D553S235-R239 WeakPolarHBondContact O-CG 3.4Å; S235-R239 PolarHBondContact O-N 3.42Å; S235-R239 PolarHBondContact OG-NH2 3.08Å; L236-R239 CarbonylContact O-C 3.55Å; L236-R239 PolarHBondContact O-N 3.36Å; M237-R239 PolarHBondContact O-N 2.79Å; R239-Q241 HydrophobicContact CB-CG 4.31Å; R239-Q241 PolarHBondContact O-N 3.5Å; R239-D553 IonicContact NH2-OD1 3.45Å
240R90.7Very high92.2Very high128 Ų12831.8 Ų31.848%0.48314%0.139SC..THydrogen-bonded Turntrans6116.4-176.2-53.8-66.8-172.2155.73.5114.7L236 M237 K238 F242 D568L236-R240 PolarHBondContact O-N 2.84Å; M237-R240 WeakPolarHBondContact O-CA 3.32Å; M237-R240 PolarHBondContact O-N 3.18Å; K238-R240 PolarHBondContact O-N 2.8Å; R240-F242 VanDerWaalsContact C-N 3.27Å; R240-F242 HydrophobicContact CB-CE2 4.11Å; R240-F242 VanDerWaalsContact O-CD2 3.27Å; R240-F242 WeakPolarHBondContact O-CD2 3.34Å; R240-F242 PolarHBondContact O-N 3.44Å; R240-D568 IonicContact CZ-OD1 3.22Å; R240-D568 IonicContact CZ-OD2 2.83Å; R240-D568 IonicContact NH1-OD1 2.6Å; R240-D568 PolarHBondContact NH1-OD1 3.08Å; R240-D568 IonicContact NH1-OD2 3.59Å; R240-D568 PolarHBondContact NH1-OD2 3.14Å; R240-D568 IonicContact NH2-OD1 3.78Å; R240-D568 PolarHBondContact NH2-OD1 2.94Å; R240-D568 IonicContact NH2-OD2 3.61Å; R240-D568 PolarHBondContact NH2-OD2 2.87Å
241Q90Very high92.1Very high67 Ų6733.7 Ų33.731%0.31315%0.148SC..  trans-87.164.1178.5-67.3178.4-26.500110.5L236 R239 D243 S244 A245L236-Q241 HydrophobicContact CB-CB 4.42Å; L236-Q241 HydrophobicContact CD2-CB 4.39Å; L236-Q241 PolarHBondContact O-N 3.28Å; R239-Q241 HydrophobicContact CB-CG 4.31Å; R239-Q241 PolarHBondContact O-N 3.5Å; Q241-D243 VanDerWaalsContact C-N 3.31Å; Q241-D243 PolarHBondContact O-N 3.49Å; Q241-S244 PolarHBondContact O-N 3.43Å; Q241-A245 WeakPolarHBondContact O-CB 3.42Å; Q241-A245 PolarHBondContact O-N 2.65Å
242F91.1Very high92.2Very high27 Ų2732.1 Ų32.112%0.11814%0.14CC..Hα-helixtrans-64.2-31.9-171.5-64.5-73.4000113.9M237 R240 A245 L246 A283 L284M237-F242 HydrophobicContact CB-CE1 4.42Å; M237-F242 HydrophobicContact CG-CD1 4.39Å; M237-F242 HydrophobicContact CG-CE1 4.47Å; R240-F242 VanDerWaalsContact C-N 3.27Å; R240-F242 HydrophobicContact CB-CE2 4.11Å; R240-F242 VanDerWaalsContact O-CD2 3.27Å; R240-F242 WeakPolarHBondContact O-CD2 3.34Å; R240-F242 PolarHBondContact O-N 3.44Å; F242-A245 PolarHBondContact O-N 2.91Å; F242-L246 WeakPolarHBondContact O-CB 3.41Å; F242-L246 PolarHBondContact O-N 2.94Å; F242-A283 HydrophobicContact CB-CB 4.08Å; F242-A283 HydrophobicContact CD1-CB 3.56Å; F242-A283 HydrophobicContact CD2-CB 3.6Å; F242-A283 HydrophobicContact CE1-CB 3.8Å; F242-A283 HydrophobicContact CE2-CB 3.83Å; F242-A283 HydrophobicContact CG-CB 3.45Å; F242-A283 VanDerWaalsContact CG-CB 3.45Å; F242-A283 HydrophobicContact CZ-CB 3.93Å; F242-L284 HydrophobicContact CB-CD1 4.42Å; F242-L284 HydrophobicContact CB-CD2 3.85Å; F242-L284 HydrophobicContact CB-CG 4Å
243D87.2Confident92.2Very high39 Ų3932.3 Ų32.321%0.20914%0.142CC..Hα-helixtrans-62.2-48.9176.4-59.5-79000111.3L156 Q241 C247 L284L156-D243 HydrophobicContact CD1-CB 4.14Å; L156-D243 HydrophobicContact CD2-CB 3.91Å; L156-D243 HydrophobicContact CG-CB 3.88Å; Q241-D243 VanDerWaalsContact C-N 3.31Å; Q241-D243 PolarHBondContact O-N 3.49Å; D243-C247 PolarHBondContact O-N 2.85Å; D243-C247 PolarHBondContact O-SG 3.33Å; D243-L284 VanDerWaalsContact OD1-CD2 3.23Å; D243-L284 WeakPolarHBondContact OD1-CD2 3.49Å
244S87.6Confident92.1Very high14 Ų1435.4 Ų35.410%0.09816%0.157CC..Hα-helixtrans-69.8-40.2176.8-66.70000112.6Q174 Q241 L246 C247 H248Q174-S244 VanDerWaalsContact NE2-CA 3.26Å; Q174-S244 PolarHBondContact NE2-OG 3Å; Q241-S244 PolarHBondContact O-N 3.43Å; S244-L246 VanDerWaalsContact C-N 3.34Å; S244-L246 PolarHBondContact O-N 3.46Å; S244-C247 WeakPolarHBondContact O-CB 3.35Å; S244-C247 PolarHBondContact O-N 2.98Å; S244-H248 PolarHBondContact O-N 3.31Å; S244-H248 PolarHBondContact O-ND1 3.44Å
245A93.3Very high92Very high0 Ų034.7 Ų34.70%015%0.154CC..Hα-helixtrans-56.6-49.3175.200000111.2G233 L236 M237 Q241 F242 C247 H248 L249G233-A245 WeakPolarHBondContact O-CB 3.28Å; L236-A245 HydrophobicContact CB-CB 3.8Å; M237-A245 HydrophobicContact CG-CB 3.61Å; Q241-A245 WeakPolarHBondContact O-CB 3.42Å; Q241-A245 PolarHBondContact O-N 2.65Å; F242-A245 PolarHBondContact O-N 2.91Å; A245-C247 VanDerWaalsContact C-N 3.26Å; A245-C247 PolarHBondContact O-N 3.43Å; A245-H248 PolarHBondContact O-N 2.92Å; A245-L249 VanDerWaalsContact O-CG 3.26Å; A245-L249 WeakPolarHBondContact O-CG 3.42Å; A245-L249 PolarHBondContact O-N 3.37Å
246L92.5Very high92Very high0 Ų034 Ų340%015%0.149CC..Hα-helixtrans-57.8-40.1-178.7-179.359.4000111.9I130 M154 L156 F242 S244 H248 L249 L250 I277 C280 Y281 L284I130-L246 HydrophobicContact CD1-CD2 3.8Å; I130-L246 HydrophobicContact CD1-CG 4.24Å; M154-L246 HydrophobicContact CE-CD2 4.14Å; M154-L246 HydrophobicContact SD-CD2 4.28Å; L156-L246 HydrophobicContact CD1-CB 4.4Å; L156-L246 HydrophobicContact CD1-CD2 3.91Å; F242-L246 WeakPolarHBondContact O-CB 3.41Å; F242-L246 PolarHBondContact O-N 2.94Å; S244-L246 VanDerWaalsContact C-N 3.34Å; S244-L246 PolarHBondContact O-N 3.46Å; L246-H248 VanDerWaalsContact C-N 3.35Å; L246-H248 PolarHBondContact O-N 2.99Å; L246-L249 PolarHBondContact O-N 3.08Å; L246-L250 HydrophobicContact CD1-CD1 4.27Å; L246-L250 HydrophobicContact CD1-CD2 4.25Å; L246-L250 HydrophobicContact CD1-CG 3.97Å; L246-L250 HydrophobicContact CG-CD1 4.29Å; L246-L250 HydrophobicContact CG-CG 4.36Å; L246-L250 WeakPolarHBondContact O-CB 3.38Å; L246-L250 VanDerWaalsContact O-CG 3.3Å; L246-L250 WeakPolarHBondContact O-CG 3.42Å; L246-L250 PolarHBondContact O-N 3.24Å; L246-I277 HydrophobicContact CD1-CG2 4Å; L246-C280 HydrophobicContact CB-CB 4.12Å; L246-C280 HydrophobicContact CD1-CB 4.12Å; L246-Y281 HydrophobicContact CD1-CD1 4.06Å; L246-Y281 HydrophobicContact CD1-CE1 3.56Å; L246-Y281 HydrophobicContact CD2-CD1 3.94Å; L246-Y281 HydrophobicContact CD2-CE1 3.73Å; L246-Y281 HydrophobicContact CG-CE1 4.28Å; L246-L284 HydrophobicContact CB-CD1 4.36Å; L246-L284 HydrophobicContact CD2-CD1 3.77Å
247C90.6Very high91.8Very high1 Ų137.5 Ų37.51%0.00717%0.174CC..Hα-helixtrans-58.9-44.3176.3-690000112.7L178 D243 S244 A245 Q251L178-C247 HydrophobicContact CD1-CB 4.38Å; L178-C247 HydrophobicContact CD2-CB 4.45Å; D243-C247 PolarHBondContact O-N 2.85Å; D243-C247 PolarHBondContact O-SG 3.33Å; S244-C247 WeakPolarHBondContact O-CB 3.35Å; S244-C247 PolarHBondContact O-N 2.98Å; A245-C247 VanDerWaalsContact C-N 3.26Å; A245-C247 PolarHBondContact O-N 3.43Å; C247-Q251 WeakPolarHBondContact O-CG 3.36Å; C247-Q251 PolarHBondContact O-N 3.48Å
248H94Very high91.6Very high0 Ų044.5 Ų44.50%020%0.2CC..Hα-helixtrans-71.1-41.8179.2-67.578.7000111.4L178 F229 K232 L236 S244 A245 L246 L250 Q251 A252L178-H248 HydrophobicContact CD2-CB 4.45Å; F229-H248 HydrophobicContact CD1-CB 4.23Å; F229-H248 AromaticContact CD1-CD2 3.84Å; K232-H248 WeakPolarHBondContact CG-CD2 3.26Å; L236-H248 WeakPolarHBondContact CD1-ND1 3.49Å; S244-H248 PolarHBondContact O-N 3.31Å; S244-H248 PolarHBondContact O-ND1 3.44Å; A245-H248 PolarHBondContact O-N 2.92Å; L246-H248 VanDerWaalsContact C-N 3.35Å; L246-H248 PolarHBondContact O-N 2.99Å; H248-L250 VanDerWaalsContact C-N 3.33Å; H248-L250 PolarHBondContact O-N 3.16Å; H248-Q251 WeakPolarHBondContact O-CB 3.44Å; H248-Q251 PolarHBondContact O-N 3.47Å; H248-Q251 VanDerWaalsContact O-N 3.12Å; H248-A252 PolarHBondContact O-N 2.92Å
249L95.6Very high91.3Very high0 Ų038.9 Ų38.90%018%0.177CC..Hα-helixtrans-63.4-37.3177.7-62.2172.4000112.2M237 A245 L246 Q251 A252 D253 L273 D276 I277M237-L249 HydrophobicContact SD-CD1 3.91Å; A245-L249 VanDerWaalsContact O-CG 3.26Å; A245-L249 WeakPolarHBondContact O-CG 3.42Å; A245-L249 PolarHBondContact O-N 3.37Å; L246-L249 PolarHBondContact O-N 3.08Å; L249-Q251 VanDerWaalsContact C-N 3.33Å; L249-A252 WeakPolarHBondContact O-CB 3.33Å; L249-A252 PolarHBondContact O-N 3.36Å; L249-D253 PolarHBondContact O-N 2.89Å; L249-L273 HydrophobicContact CB-CD1 3.9Å; L249-L273 HydrophobicContact CD2-CD1 3.63Å; L249-L273 HydrophobicContact CG-CD1 4.34Å; L249-D276 HydrophobicContact CD1-CB 4.07Å; L249-D276 HydrophobicContact CD2-CB 4.34Å; L249-I277 HydrophobicContact CB-CD1 4.33Å; L249-I277 HydrophobicContact CB-CG1 3.61Å; L249-I277 HydrophobicContact CD1-CG1 4.3Å
250L93.6Very high90.8Very high1 Ų133.7 Ų33.71%0.00517%0.167CC..Hα-helixtrans-68.6-31.5174.4-68.1-174.7000112.6I130 G133 L246 H248 D253 Q254 I277I130-L250 HydrophobicContact CD1-CD1 3.95Å; I130-L250 HydrophobicContact CG1-CD1 4.35Å; I130-L250 HydrophobicContact CG2-CD1 4.06Å; G133-L250 WeakPolarHBondContact O-CD2 3.49Å; L246-L250 HydrophobicContact CD1-CD1 4.27Å; L246-L250 HydrophobicContact CD1-CD2 4.25Å; L246-L250 HydrophobicContact CD1-CG 3.97Å; L246-L250 HydrophobicContact CG-CD1 4.29Å; L246-L250 HydrophobicContact CG-CG 4.36Å; L246-L250 WeakPolarHBondContact O-CB 3.38Å; L246-L250 VanDerWaalsContact O-CG 3.3Å; L246-L250 WeakPolarHBondContact O-CG 3.42Å; L246-L250 PolarHBondContact O-N 3.24Å; H248-L250 VanDerWaalsContact C-N 3.33Å; H248-L250 PolarHBondContact O-N 3.16Å; L250-D253 PolarHBondContact O-N 3.09Å; L250-Q254 WeakPolarHBondContact O-CG 3.39Å; L250-Q254 PolarHBondContact O-N 3.26Å; L250-I277 HydrophobicContact CD2-CD1 4.17Å; L250-I277 HydrophobicContact CD2-CG1 4.48Å; L250-I277 HydrophobicContact CD2-CG2 4.08Å
251Q93.3Very high90Very high41 Ų4132.7 Ų32.719%0.19218%0.179CC..Hα-helixtrans-68.6-41.8170.2-69.9-62.7-15.600111.4L178 F229 C247 H248 L249 D253 Q254 H255L178-Q251 HydrophobicContact CD1-CG 4.5Å; L178-Q251 HydrophobicContact CD2-CG 4.05Å; F229-Q251 HydrophobicContact CD1-CB 3.96Å; F229-Q251 HydrophobicContact CD2-CB 4.15Å; F229-Q251 HydrophobicContact CE1-CB 4.07Å; F229-Q251 HydrophobicContact CE1-CG 4.44Å; F229-Q251 HydrophobicContact CE2-CB 4.24Å; F229-Q251 HydrophobicContact CG-CB 4.01Å; F229-Q251 HydrophobicContact CZ-CB 4.19Å; C247-Q251 WeakPolarHBondContact O-CG 3.36Å; C247-Q251 PolarHBondContact O-N 3.48Å; H248-Q251 WeakPolarHBondContact O-CB 3.44Å; H248-Q251 PolarHBondContact O-N 3.47Å; H248-Q251 VanDerWaalsContact O-N 3.12Å; L249-Q251 VanDerWaalsContact C-N 3.33Å; Q251-D253 VanDerWaalsContact C-N 3.28Å; Q251-D253 PolarHBondContact O-N 2.71Å; Q251-Q254 WeakPolarHBondContact O-CB 3.32Å; Q251-Q254 PolarHBondContact O-N 3.4Å; Q251-H255 PolarHBondContact O-CD2 3.25Å; Q251-H255 VanDerWaalsContact O-CD2 3.23Å; Q251-H255 PolarHBondContact O-N 3.42Å
252A95.7Very high89.3Confident0 Ų033.4 Ų33.40%020%0.196CC..Hα-helixtrans-55.8-44.2172.700000111.5A226 F229 H230 H248 L249 Q254 H255 F256 L273A226-A252 WeakPolarHBondContact O-CB 3.5Å; F229-A252 HydrophobicContact CB-CB 3.72Å; H230-A252 HydrophobicContact CB-CB 4.13Å; H248-A252 PolarHBondContact O-N 2.92Å; L249-A252 WeakPolarHBondContact O-CB 3.33Å; L249-A252 PolarHBondContact O-N 3.36Å; A252-Q254 VanDerWaalsContact C-N 3.32Å; A252-Q254 PolarHBondContact O-N 3.49Å; A252-H255 PolarHBondContact O-N 2.9Å; A252-H255 VanDerWaalsContact O-N 3.16Å; A252-F256 VanDerWaalsContact O-CD2 3.29Å; A252-F256 WeakPolarHBondContact O-CD2 3.49Å; A252-F256 PolarHBondContact O-N 3.02Å; A252-L273 HydrophobicContact CB-CD1 3.95Å; A252-L273 HydrophobicContact CB-CD2 3.77Å
253D93.9Very high88.4Confident19 Ų1934.5 Ų34.510%0.10220%0.203CC..Hα-helixtrans-62-39.5179.5-169.546.3000111.6L249 L250 Q251 S257 Y270 L273 Q274 I277 R296L249-D253 PolarHBondContact O-N 2.89Å; L250-D253 PolarHBondContact O-N 3.09Å; Q251-D253 VanDerWaalsContact C-N 3.28Å; Q251-D253 PolarHBondContact O-N 2.71Å; D253-S257 WeakPolarHBondContact O-CB 3.39Å; D253-S257 PolarHBondContact O-N 2.96Å; D253-Y270 VanDerWaalsContact OD1-CE2 3.28Å; D253-Y270 WeakPolarHBondContact OD1-CE2 3.34Å; D253-Y270 PolarHBondContact OD1-OH 3.43Å; D253-Y270 VanDerWaalsContact OD1-OH 3.06Å; D253-L273 HydrophobicContact CB-CD2 4.07Å; D253-Q274 PolarHBondContact OD1-NE2 3.46Å; D253-I277 HydrophobicContact CB-CD1 4.04Å; D253-R296 VanDerWaalsContact CG-NH1 3.28Å; D253-R296 IonicContact OD1-NH1 2.78Å; D253-R296 IonicContact OD2-CZ 3.2Å; D253-R296 IonicContact OD2-NH1 3.09Å; D253-R296 PolarHBondContact OD2-NH1 3.42Å; D253-R296 IonicContact OD2-NH2 2.58Å; D253-R296 PolarHBondContact OD2-NH2 3.1Å; D253-R296 VanDerWaalsContact OD2-NH2 3.09Å
254Q92Very high87.8Confident65 Ų6534.1 Ų34.130%0.30420%0.2SC..Hα-helixtrans-63.8-42.9174.2-69.6178.430.500111.9L250 Q251 A252 S257L250-Q254 WeakPolarHBondContact O-CG 3.39Å; L250-Q254 PolarHBondContact O-N 3.26Å; Q251-Q254 WeakPolarHBondContact O-CB 3.32Å; Q251-Q254 PolarHBondContact O-N 3.4Å; A252-Q254 VanDerWaalsContact C-N 3.32Å; A252-Q254 PolarHBondContact O-N 3.49Å; Q254-S257 PolarHBondContact O-N 2.68Å; Q254-S257 PolarHBondContact O-OG 2.84Å
255H92.9Very high87Confident9 Ų934.3 Ų34.34%0.04221%0.205CC..Hα-helixtrans-70.1-41.6178.2-76.3-71.7000112.5L225 A226 F229 Q251 A252 S257 R258L225-H255 HydrophobicContact CB-CB 4.46Å; A226-H255 HydrophobicContact CB-CB 3.63Å; F229-H255 AromaticContact CD2-CD2 3.8Å; F229-H255 AromaticContact CE2-CD2 3.9Å; F229-H255 AromaticContact CE2-NE2 3.77Å; Q251-H255 PolarHBondContact O-CD2 3.25Å; Q251-H255 VanDerWaalsContact O-CD2 3.23Å; Q251-H255 PolarHBondContact O-N 3.42Å; A252-H255 PolarHBondContact O-N 2.9Å; A252-H255 VanDerWaalsContact O-N 3.16Å; H255-S257 VanDerWaalsContact C-N 3.26Å; H255-S257 PolarHBondContact O-N 3.43Å; H255-R258 WeakPolarHBondContact O-CB 3.42Å; H255-R258 PolarHBondContact O-N 2.7Å; H255-R258 VanDerWaalsContact O-N 3.09Å
256F92Very high85.9Confident3 Ų337.2 Ų37.21%0.01323%0.225CC..Hα-helixtrans-59.4-37.7172.9-85.8-64.1000111.9L223 A226 M227 A252 R258 C259 L264 N269 Y270 L273L223-F256 HydrophobicContact CD1-CD1 4.22Å; L223-F256 HydrophobicContact CD1-CE1 3.65Å; A226-F256 HydrophobicContact CB-CB 4.4Å; A226-F256 HydrophobicContact CB-CD1 3.88Å; A226-F256 HydrophobicContact CB-CD2 3.58Å; A226-F256 HydrophobicContact CB-CE1 3.99Å; A226-F256 HydrophobicContact CB-CE2 3.7Å; A226-F256 HydrophobicContact CB-CG 3.68Å; A226-F256 HydrophobicContact CB-CZ 3.91Å; M227-F256 HydrophobicContact CG-CZ 4.21Å; A252-F256 VanDerWaalsContact O-CD2 3.29Å; A252-F256 WeakPolarHBondContact O-CD2 3.49Å; A252-F256 PolarHBondContact O-N 3.02Å; F256-R258 PolarHBondContact O-N 2.67Å; F256-R258 VanDerWaalsContact O-N 3.09Å; F256-C259 VanDerWaalsContact O-CB 3.32Å; F256-C259 WeakPolarHBondContact O-CB 3.45Å; F256-C259 PolarHBondContact O-N 2.91Å; F256-L264 HydrophobicContact CB-CD2 4.28Å; F256-L264 HydrophobicContact CD1-CD2 3.73Å; F256-L264 HydrophobicContact CG-CD2 4.42Å; F256-L264 WeakPolarHBondContact O-CD1 3.08Å; F256-N269 HydrophobicContact CE1-CB 4.4Å; F256-N269 HydrophobicContact CZ-CB 4.15Å; F256-Y270 HydrophobicContact CB-CD2 3.54Å; F256-Y270 HydrophobicContact CB-CE2 3.75Å; F256-Y270 HydrophobicContact CD1-CD2 4.32Å; F256-Y270 HydrophobicContact CD2-CD2 4.11Å; F256-Y270 AromaticContact CG-CD2 3.75Å; F256-Y270 HydrophobicContact CG-CD2 3.75Å; F256-Y270 HydrophobicContact CG-CE2 4.41Å; F256-L273 HydrophobicContact CD2-CD2 3.33Å; F256-L273 HydrophobicContact CE2-CB 4.48Å; F256-L273 HydrophobicContact CE2-CD2 3.73Å; F256-L273 HydrophobicContact CG-CD2 4.43Å
257S87.5Confident85.3Confident84 Ų8439.8 Ų39.859%0.58724%0.241SC*.THydrogen-bonded Turntrans-63.9-14.4178.376.10000114.5D253 Q254 H255D253-S257 WeakPolarHBondContact O-CB 3.39Å; D253-S257 PolarHBondContact O-N 2.96Å; Q254-S257 PolarHBondContact O-N 2.68Å; Q254-S257 PolarHBondContact O-OG 2.84Å; H255-S257 VanDerWaalsContact C-N 3.26Å; H255-S257 PolarHBondContact O-N 3.43Å
258R88Confident85.1Confident167 Ų16740.7 Ų40.763%0.6325%0.246SC*.THydrogen-bonded Turntrans-89.2-10.6173.8-58.4177.5-170.4-178.63.8113.1A222 H255 F256A222-R258 HydrophobicContact CB-CB 4.35Å; H255-R258 WeakPolarHBondContact O-CB 3.42Å; H255-R258 PolarHBondContact O-N 2.7Å; H255-R258 VanDerWaalsContact O-N 3.09Å; F256-R258 PolarHBondContact O-N 2.67Å; F256-R258 VanDerWaalsContact O-N 3.09Å
259C85.6Confident84.9Confident12 Ų1243 Ų438%0.08126%0.258CS..SBendtrans-81.2154.1178.1-58.10000111.1F256 L264F256-C259 VanDerWaalsContact O-CB 3.32Å; F256-C259 WeakPolarHBondContact O-CB 3.45Å; F256-C259 PolarHBondContact O-N 2.91Å; C259-L264 HydrophobicContact CB-CD1 4.34Å; C259-L264 HydrophobicContact CB-CD2 4.12Å; C259-L264 HydrophobicContact CB-CG 4.11Å; C259-L264 WeakPolarHBondContact O-CD1 3.45Å
260G80.8Confident84.7Confident31 Ų3144.6 Ų44.632%0.3226%0.264SS..  trans-66.5145-179.200000113.1E219 A262 M263 L264E219-G260 WeakPolarHBondContact OE1-CA 3.27Å; E219-G260 PolarHBondContact OE1-N 3.16Å; G260-A262 VanDerWaalsContact C-N 3.25Å; G260-A262 PolarHBondContact O-N 3.15Å; G260-M263 PolarHBondContact O-N 3.16Å; G260-L264 WeakPolarHBondContact O-CG 3.4Å; G260-L264 PolarHBondContact O-N 3.2Å; G260-L264 VanDerWaalsContact O-N 3.1Å
261S73.6Confident84.6Confident106 Ų10644.6 Ų44.674%0.74126%0.264SS*.Hα-helixtrans-62.8-28.1-177.1580000114G265S261-G265 PolarHBondContact O-N 3.37Å
262A74.9Confident84.7Confident82 Ų8242.9 Ų42.968%0.67826%0.256SS*.Hα-helixtrans-66.9-43.4176.200000112.1G260 S266G260-A262 VanDerWaalsContact C-N 3.25Å; G260-A262 PolarHBondContact O-N 3.15Å; A262-S266 PolarHBondContact O-N 3.48Å; A262-S266 PolarHBondContact O-OG 2.84Å
263M72.9Confident84.7Confident51 Ų5142.9 Ų42.925%0.25126%0.256SS..Hα-helixtrans-65.8-52.2174.8-74-61.5-63.200110.4L213 I215 L223 G260 G265 S266L213-M263 HydrophobicContact CD1-CE 4.38Å; I215-M263 HydrophobicContact CD1-CE 3.87Å; I215-M263 HydrophobicContact CG1-CE 4.5Å; L223-M263 HydrophobicContact CD2-CE 4.43Å; G260-M263 PolarHBondContact O-N 3.16Å; M263-G265 PolarHBondContact O-N 2.94Å; M263-G265 VanDerWaalsContact O-N 3.14Å; M263-S266 PolarHBondContact O-N 3.12Å; M263-S266 PolarHBondContact O-OG 2.68Å
264L74.3Confident84.8Confident30 Ų3042 Ų4216%0.15725%0.251CS..Hα-helixtrans-60.7-26179.4-65.8173.8000114F256 C259 G260 Y270F256-L264 HydrophobicContact CB-CD2 4.28Å; F256-L264 HydrophobicContact CD1-CD2 3.73Å; F256-L264 HydrophobicContact CG-CD2 4.42Å; F256-L264 WeakPolarHBondContact O-CD1 3.08Å; C259-L264 HydrophobicContact CB-CD1 4.34Å; C259-L264 HydrophobicContact CB-CD2 4.12Å; C259-L264 HydrophobicContact CB-CG 4.11Å; C259-L264 WeakPolarHBondContact O-CD1 3.45Å; G260-L264 WeakPolarHBondContact O-CG 3.4Å; G260-L264 PolarHBondContact O-N 3.2Å; G260-L264 VanDerWaalsContact O-N 3.1Å; L264-Y270 HydrophobicContact CD2-CD2 4.45Å; L264-Y270 HydrophobicContact CD2-CG 4.23Å
265G69.9Low84.9Confident19 Ų1938.9 Ų38.920%0.19624%0.237CC..THydrogen-bonded Turntrans-86.4-10.917900000114.7S261 M263S261-G265 PolarHBondContact O-N 3.37Å; M263-G265 PolarHBondContact O-N 2.94Å; M263-G265 VanDerWaalsContact O-N 3.14Å
266S70.4Confident85.1Confident60 Ų6038.8 Ų38.842%0.4224%0.237SC..THydrogen-bonded Turntrans-104.5-17-174.663.30000114.2A262 M263A262-S266 PolarHBondContact O-N 3.48Å; A262-S266 PolarHBondContact O-OG 2.84Å; M263-S266 PolarHBondContact O-N 3.12Å; M263-S266 PolarHBondContact O-OG 2.68Å
267V80Confident85.3Confident54 Ų5438.7 Ų38.733%0.32724%0.236SC..  trans-123.4155.2179.9-57.80000110.9N269V267-N269 HydrophobicContact CG2-CB 4.45Å
268D86.1Confident85.6Confident21 Ų2134.7 Ų34.711%0.11221%0.208CC..SBendtrans-90-10-176.254.313.7000113.7Y270 A271 V272 F304 Y308D268-Y270 PolarHBondContact O-N 3.22Å; D268-Y270 VanDerWaalsContact O-N 3.12Å; D268-A271 WeakPolarHBondContact O-CA 3.34Å; D268-A271 VanDerWaalsContact O-CB 3.3Å; D268-A271 WeakPolarHBondContact O-CB 3.48Å; D268-A271 PolarHBondContact O-N 2.97Å; D268-V272 WeakPolarHBondContact O-CG2 3.47Å; D268-V272 PolarHBondContact O-N 2.97Å; D268-F304 HydrophobicContact CB-CD1 4.34Å; D268-F304 HydrophobicContact CB-CE1 4.28Å; D268-Y308 HydrophobicContact CB-CE1 4.31Å; D268-Y308 WeakPolarHBondContact CB-OH 3.27Å; D268-Y308 VanDerWaalsContact CG-OH 3.24Å; D268-Y308 WeakPolarHBondContact OD2-CE1 3.31Å; D268-Y308 VanDerWaalsContact OD2-CZ 3.28Å; D268-Y308 PolarHBondContact OD2-OH 2.8Å
269N89.9Confident86Confident48 Ų4827 Ų2726%0.25718%0.179SC..Hα-helixtrans-50.8-43-176.6-62.175.8000112.9F256 V267 A271 V272 L273F256-N269 HydrophobicContact CE1-CB 4.4Å; F256-N269 HydrophobicContact CZ-CB 4.15Å; V267-N269 HydrophobicContact CG2-CB 4.45Å; N269-A271 PolarHBondContact O-N 2.69Å; N269-V272 PolarHBondContact O-N 2.91Å; N269-L273 PolarHBondContact O-N 3.18Å
270Y91.4Very high86.4Confident34 Ų3426.4 Ų26.413%0.13318%0.176CC..Hα-helixtrans-66-38.3179.1-174.9-118.1000112.2D253 F256 L264 D268 L273 Q274 R299D253-Y270 VanDerWaalsContact OD1-CE2 3.28Å; D253-Y270 WeakPolarHBondContact OD1-CE2 3.34Å; D253-Y270 PolarHBondContact OD1-OH 3.43Å; D253-Y270 VanDerWaalsContact OD1-OH 3.06Å; F256-Y270 HydrophobicContact CB-CD2 3.54Å; F256-Y270 HydrophobicContact CB-CE2 3.75Å; F256-Y270 HydrophobicContact CD1-CD2 4.32Å; F256-Y270 HydrophobicContact CD2-CD2 4.11Å; F256-Y270 AromaticContact CG-CD2 3.75Å; F256-Y270 HydrophobicContact CG-CD2 3.75Å; F256-Y270 HydrophobicContact CG-CE2 4.41Å; L264-Y270 HydrophobicContact CD2-CD2 4.45Å; L264-Y270 HydrophobicContact CD2-CG 4.23Å; D268-Y270 PolarHBondContact O-N 3.22Å; D268-Y270 VanDerWaalsContact O-N 3.12Å; Y270-L273 WeakPolarHBondContact O-CB 3.44Å; Y270-L273 PolarHBondContact O-N 2.98Å; Y270-Q274 HydrophobicContact CE1-CG 4.26Å; Y270-Q274 WeakPolarHBondContact O-CG 3.28Å; Y270-Q274 PolarHBondContact O-N 3.33Å; Y270-Q274 PolarHBondContact OH-NE2 3.2Å; Y270-R299 PolarHBondContact OH-NH1 3.1Å
271A92.4Very high86.9Confident0 Ų025 Ų250%016%0.16CC..Hα-helixtrans-66.7-42.4176.700000112.1D268 N269 L273 Q274 L275 A300 C303 F304D268-A271 WeakPolarHBondContact O-CA 3.34Å; D268-A271 VanDerWaalsContact O-CB 3.3Å; D268-A271 WeakPolarHBondContact O-CB 3.48Å; D268-A271 PolarHBondContact O-N 2.97Å; N269-A271 PolarHBondContact O-N 2.69Å; A271-L273 VanDerWaalsContact C-N 3.31Å; A271-L273 PolarHBondContact O-N 2.5Å; A271-Q274 WeakPolarHBondContact O-CB 3.36Å; A271-Q274 PolarHBondContact O-N 3.41Å; A271-L275 PolarHBondContact O-N 3.46Å; A271-A300 HydrophobicContact CB-CB 4.3Å; A271-C303 HydrophobicContact CB-CB 3.67Å; A271-F304 HydrophobicContact CB-CD1 3.68Å; A271-F304 HydrophobicContact CB-CE1 3.35Å; A271-F304 HydrophobicContact CB-CE2 4.5Å; A271-F304 HydrophobicContact CB-CG 4.38Å; A271-F304 HydrophobicContact CB-CZ 3.81Å
272V94.8Very high87.8Confident5 Ų522.5 Ų22.53%0.0314%0.135CC..Hα-helixtrans-60.5-43.1175179.50000110.2D268 N269 Q274 L275 D276 F304 L328 Y561D268-V272 WeakPolarHBondContact O-CG2 3.47Å; D268-V272 PolarHBondContact O-N 2.97Å; N269-V272 PolarHBondContact O-N 2.91Å; V272-Q274 PolarHBondContact O-N 3.25Å; V272-L275 WeakPolarHBondContact O-CB 3.12Å; V272-L275 PolarHBondContact O-N 3.45Å; V272-D276 PolarHBondContact O-N 3.25Å; V272-F304 HydrophobicContact CG2-CE1 4.09Å; V272-F304 HydrophobicContact CG2-CZ 4.29Å; V272-L328 HydrophobicContact CG2-CD1 4Å; V272-L328 HydrophobicContact CG2-CD2 4.34Å; V272-Y561 HydrophobicContact CG1-CD2 4.13Å; V272-Y561 HydrophobicContact CG2-CD2 4.24Å; V272-Y561 HydrophobicContact CG2-CE2 4.12Å
273L95.7Very high88.6Confident0 Ų019.2 Ų19.20%011%0.108CC..Hα-helixtrans-59.1-46.3173.8172.965000112.4H230 L249 A252 D253 F256 N269 Y270 A271 L275 D276 I277H230-L273 HydrophobicContact CB-CD1 4.45Å; L249-L273 HydrophobicContact CB-CD1 3.9Å; L249-L273 HydrophobicContact CD2-CD1 3.63Å; L249-L273 HydrophobicContact CG-CD1 4.34Å; A252-L273 HydrophobicContact CB-CD1 3.95Å; A252-L273 HydrophobicContact CB-CD2 3.77Å; D253-L273 HydrophobicContact CB-CD2 4.07Å; F256-L273 HydrophobicContact CD2-CD2 3.33Å; F256-L273 HydrophobicContact CE2-CB 4.48Å; F256-L273 HydrophobicContact CE2-CD2 3.73Å; F256-L273 HydrophobicContact CG-CD2 4.43Å; N269-L273 PolarHBondContact O-N 3.18Å; Y270-L273 WeakPolarHBondContact O-CB 3.44Å; Y270-L273 PolarHBondContact O-N 2.98Å; A271-L273 VanDerWaalsContact C-N 3.31Å; A271-L273 PolarHBondContact O-N 2.5Å; L273-L275 PolarHBondContact O-N 2.9Å; L273-D276 PolarHBondContact O-N 3.3Å; L273-I277 HydrophobicContact CD1-CD1 3.95Å; L273-I277 HydrophobicContact CD1-CG1 4.13Å; L273-I277 HydrophobicContact CG-CD1 3.92Å; L273-I277 WeakPolarHBondContact O-CG1 3.49Å; L273-I277 PolarHBondContact O-N 3.21Å
274Q94.9Very high89.3Confident0 Ų018.1 Ų18.10%010%0.103CC..Hα-helixtrans-57.9-41.1177.1-64.2-41.9-63.300111.3D253 Y270 A271 V272 V278 R296 R299 A300D253-Q274 PolarHBondContact OD1-NE2 3.46Å; Y270-Q274 HydrophobicContact CE1-CG 4.26Å; Y270-Q274 WeakPolarHBondContact O-CG 3.28Å; Y270-Q274 PolarHBondContact O-N 3.33Å; Y270-Q274 PolarHBondContact OH-NE2 3.2Å; A271-Q274 WeakPolarHBondContact O-CB 3.36Å; A271-Q274 PolarHBondContact O-N 3.41Å; V272-Q274 PolarHBondContact O-N 3.25Å; Q274-V278 WeakPolarHBondContact O-CG2 3.17Å; Q274-V278 PolarHBondContact O-N 2.98Å; Q274-R296 HydrophobicContact CB-CB 4.25Å; Q274-R296 VanDerWaalsContact OE1-CG 3.3Å; Q274-R299 HydrophobicContact CG-CB 4.36Å; Q274-A300 HydrophobicContact CB-CB 4.15Å
275L95.3Very high89.8Confident1 Ų120.7 Ų20.71%0.00511%0.114CC..Hα-helixtrans-64.7-44.3178.4-168.865.7000111.9A271 V272 L273 V278 W279 L297 F304 L328 R331 L332 L335A271-L275 PolarHBondContact O-N 3.46Å; V272-L275 WeakPolarHBondContact O-CB 3.12Å; V272-L275 PolarHBondContact O-N 3.45Å; L273-L275 PolarHBondContact O-N 2.9Å; L275-V278 PolarHBondContact O-N 3.34Å; L275-W279 PolarHBondContact O-N 3.25Å; L275-L297 HydrophobicContact CD1-CD2 4.06Å; L275-F304 HydrophobicContact CD2-CE2 4.35Å; L275-F304 HydrophobicContact CD2-CZ 4.38Å; L275-L328 HydrophobicContact CD2-CD2 4.47Å; L275-R331 HydrophobicContact CD1-CG 4.22Å; L275-R331 HydrophobicContact CD2-CB 4.1Å; L275-R331 HydrophobicContact CD2-CG 4.06Å; L275-R331 HydrophobicContact CG-CG 4.1Å; L275-L332 HydrophobicContact CD1-CB 4.1Å; L275-L332 HydrophobicContact CD1-CD1 4.33Å; L275-L335 HydrophobicContact CD1-CD1 3.72Å; L275-L335 HydrophobicContact CG-CD1 4.48Å
276D96.6Very high90.3Very high7 Ų719.8 Ų19.84%0.03711%0.105CC..Hα-helixtrans-65-38.5178.5-72.7-24.2000112.4H230 M237 L249 V272 L273 V278 W279 C280 R331H230-D276 IonicContact CD2-OD2 2.73Å; H230-D276 IonicContact CE1-OD2 3.06Å; H230-D276 IonicContact NE2-OD2 3.56Å; H230-D276 PolarHBondContact NE2-OD2 3.48Å; M237-D276 HydrophobicContact CE-CB 4.03Å; M237-D276 HydrophobicContact SD-CB 3.98Å; L249-D276 HydrophobicContact CD1-CB 4.07Å; L249-D276 HydrophobicContact CD2-CB 4.34Å; V272-D276 PolarHBondContact O-N 3.25Å; L273-D276 PolarHBondContact O-N 3.3Å; D276-V278 PolarHBondContact O-N 2.96Å; D276-W279 WeakPolarHBondContact O-CB 3.42Å; D276-W279 PolarHBondContact O-N 2.94Å; D276-C280 PolarHBondContact O-N 3.49Å; D276-R331 IonicContact OD1-NH1 3.2Å
277I95.6Very high90.5Very high0 Ų017.6 Ų17.60%09%0.088CC..Hα-helixtrans-60.9-46.4174.6-69.5166000110.6L246 L249 L250 D253 L273 W279 C280 Y281 R296L246-I277 HydrophobicContact CD1-CG2 4Å; L249-I277 HydrophobicContact CB-CD1 4.33Å; L249-I277 HydrophobicContact CB-CG1 3.61Å; L249-I277 HydrophobicContact CD1-CG1 4.3Å; L250-I277 HydrophobicContact CD2-CD1 4.17Å; L250-I277 HydrophobicContact CD2-CG1 4.48Å; L250-I277 HydrophobicContact CD2-CG2 4.08Å; D253-I277 HydrophobicContact CB-CD1 4.04Å; L273-I277 HydrophobicContact CD1-CD1 3.95Å; L273-I277 HydrophobicContact CD1-CG1 4.13Å; L273-I277 HydrophobicContact CG-CD1 3.92Å; L273-I277 WeakPolarHBondContact O-CG1 3.49Å; L273-I277 PolarHBondContact O-N 3.21Å; I277-W279 VanDerWaalsContact C-N 3.29Å; I277-W279 PolarHBondContact O-N 3.18Å; I277-C280 WeakPolarHBondContact O-CB 3.27Å; I277-C280 PolarHBondContact O-N 2.97Å; I277-Y281 HydrophobicContact CG2-CD2 4.37Å; I277-Y281 HydrophobicContact CG2-CE1 4.11Å; I277-Y281 HydrophobicContact CG2-CE2 3.73Å; I277-Y281 PolarHBondContact O-N 3.22Å; I277-R296 VanDerWaalsContact CD1-NH1 3.33Å
278V95.3Very high89.4Confident0 Ų016.8 Ų16.80%09%0.085CC..Hα-helixtrans-68.3-32.6179.3-178.10000111.1Q274 L275 D276 Y281 R282 L287 R296 L297 L335Q274-V278 WeakPolarHBondContact O-CG2 3.17Å; Q274-V278 PolarHBondContact O-N 2.98Å; L275-V278 PolarHBondContact O-N 3.34Å; D276-V278 PolarHBondContact O-N 2.96Å; V278-Y281 WeakPolarHBondContact O-CB 3.25Å; V278-Y281 PolarHBondContact O-N 3.12Å; V278-R282 PolarHBondContact O-N 2.8Å; V278-L287 HydrophobicContact CG1-CD1 3.59Å; V278-L287 WeakPolarHBondContact O-CD1 3.47Å; V278-R296 HydrophobicContact CG2-CB 3.5Å; V278-R296 HydrophobicContact CG2-CG 4.34Å; V278-L297 HydrophobicContact CB-CD2 4.07Å; V278-L297 HydrophobicContact CB-CG 4.45Å; V278-L297 HydrophobicContact CG1-CD1 4.16Å; V278-L297 HydrophobicContact CG1-CD2 3.87Å; V278-L297 HydrophobicContact CG1-CG 4Å; V278-L297 HydrophobicContact CG2-CD2 4.15Å; V278-L297 HydrophobicContact CG2-CG 4.17Å; V278-L335 HydrophobicContact CB-CD1 4.15Å; V278-L335 HydrophobicContact CG1-CB 4.43Å; V278-L335 HydrophobicContact CG1-CD1 3.95Å; V278-L335 HydrophobicContact CG1-CD2 4.33Å; V278-L335 HydrophobicContact CG1-CG 4.48Å
279W95.3Very high88Confident6 Ų616.6 Ų16.62%0.0239%0.085CC..Hα-helixtrans-61.9-43.9171.3-168.9-98.9000112.1M237 L275 D276 I277 Y281 R282 A283 R331 L335 D568 E569 L572M237-W279 HydrophobicContact CE-CB 4.11Å; M237-W279 HydrophobicContact CE-CG 4.11Å; L275-W279 PolarHBondContact O-N 3.25Å; D276-W279 WeakPolarHBondContact O-CB 3.42Å; D276-W279 PolarHBondContact O-N 2.94Å; I277-W279 VanDerWaalsContact C-N 3.29Å; I277-W279 PolarHBondContact O-N 3.18Å; W279-Y281 PolarHBondContact O-N 2.78Å; W279-R282 WeakPolarHBondContact O-CB 3.29Å; W279-R282 PolarHBondContact O-N 2.9Å; W279-R282 VanDerWaalsContact O-N 3.15Å; W279-A283 PolarHBondContact O-N 3.39Å; W279-R331 HydrophobicContact CE3-CG 3.76Å; W279-R331 HydrophobicContact CZ3-CG 3.92Å; W279-L335 HydrophobicContact CE3-CD1 4.1Å; W279-L335 HydrophobicContact CE3-CD2 3.91Å; W279-L335 HydrophobicContact CE3-CG 4.13Å; W279-L335 HydrophobicContact CZ3-CD2 4.35Å; W279-D568 HydrophobicContact CH2-CB 4.11Å; W279-D568 HydrophobicContact CZ2-CB 3.54Å; W279-E569 HydrophobicContact CH2-CG 3.9Å; W279-E569 HydrophobicContact CZ3-CG 4.38Å; W279-L572 HydrophobicContact CZ3-CD2 4.47Å
280C94.1Very high86.6Confident0 Ų014.6 Ų14.60%07%0.074CC..Hα-helixtrans-60.5-42.4172.1-74.10000111.9L246 D276 I277 R282 A283 L284L246-C280 HydrophobicContact CB-CB 4.12Å; L246-C280 HydrophobicContact CD1-CB 4.12Å; D276-C280 PolarHBondContact O-N 3.49Å; I277-C280 WeakPolarHBondContact O-CB 3.27Å; I277-C280 PolarHBondContact O-N 2.97Å; C280-R282 VanDerWaalsContact C-N 3.28Å; C280-R282 PolarHBondContact O-N 3.03Å; C280-A283 PolarHBondContact O-N 3.01Å; C280-A283 VanDerWaalsContact O-N 3.16Å; C280-L284 WeakPolarHBondContact O-CB 3.47Å; C280-L284 VanDerWaalsContact O-CG 3.27Å; C280-L284 WeakPolarHBondContact O-CG 3.47Å; C280-L284 PolarHBondContact O-N 3.38Å
281Y92.1Very high85.5Confident0 Ų021 Ų210%011%0.105CC..Hα-helixtrans-58.9-39173.4-65.3-22.5000112.7G133 L246 I277 V278 W279 E285 A286 L287 L290 D292G133-Y281 WeakPolarHBondContact CA-OH 3.18Å; L246-Y281 HydrophobicContact CD1-CD1 4.06Å; L246-Y281 HydrophobicContact CD1-CE1 3.56Å; L246-Y281 HydrophobicContact CD2-CD1 3.94Å; L246-Y281 HydrophobicContact CD2-CE1 3.73Å; L246-Y281 HydrophobicContact CG-CE1 4.28Å; I277-Y281 HydrophobicContact CG2-CD2 4.37Å; I277-Y281 HydrophobicContact CG2-CE1 4.11Å; I277-Y281 HydrophobicContact CG2-CE2 3.73Å; I277-Y281 PolarHBondContact O-N 3.22Å; V278-Y281 WeakPolarHBondContact O-CB 3.25Å; V278-Y281 PolarHBondContact O-N 3.12Å; W279-Y281 PolarHBondContact O-N 2.78Å; Y281-E285 PolarHBondContact O-N 3.39Å; Y281-A286 PolarHBondContact O-N 3.24Å; Y281-L287 PolarHBondContact O-N 3.07Å; Y281-L290 HydrophobicContact CD1-CD1 3.64Å; Y281-L290 HydrophobicContact CD2-CD1 3.84Å; Y281-L290 HydrophobicContact CE1-CD1 3.37Å; Y281-L290 HydrophobicContact CE2-CB 4.49Å; Y281-L290 HydrophobicContact CE2-CD1 3.59Å; Y281-L290 HydrophobicContact CG-CD1 3.88Å; Y281-D292 PolarHBondContact OH-OD2 3.29Å
282R91.8Very high85Confident54 Ų5421.7 Ų21.720%0.20411%0.109CC..Hα-helixtrans-64.5-46.7174.1171.1-84.3-160.4-111.512.1110.9V278 W279 C280 L284 E285 L287 L335 L338 L572V278-R282 PolarHBondContact O-N 2.8Å; W279-R282 WeakPolarHBondContact O-CB 3.29Å; W279-R282 PolarHBondContact O-N 2.9Å; W279-R282 VanDerWaalsContact O-N 3.15Å; C280-R282 VanDerWaalsContact C-N 3.28Å; C280-R282 PolarHBondContact O-N 3.03Å; R282-L284 VanDerWaalsContact C-N 3.25Å; R282-L284 PolarHBondContact O-N 2.69Å; R282-E285 PolarHBondContact O-N 2.9Å; R282-E285 VanDerWaalsContact O-N 3.16Å; R282-L287 HydrophobicContact CB-CD1 4.01Å; R282-L335 HydrophobicContact CB-CD2 4.02Å; R282-L335 HydrophobicContact CG-CD2 4.34Å; R282-L338 HydrophobicContact CB-CD2 4.36Å; R282-L338 HydrophobicContact CG-CD2 3.77Å; R282-L572 HydrophobicContact CG-CD2 4.31Å
283A91.4Very high84.7Confident13 Ų1321.5 Ų21.511%0.10711%0.108CC..Hα-helixtrans-62.1-36.1-178.300000112.1F242 W279 C280 E285F242-A283 HydrophobicContact CB-CB 4.08Å; F242-A283 HydrophobicContact CD1-CB 3.56Å; F242-A283 HydrophobicContact CD2-CB 3.6Å; F242-A283 HydrophobicContact CE1-CB 3.8Å; F242-A283 HydrophobicContact CE2-CB 3.83Å; F242-A283 HydrophobicContact CG-CB 3.45Å; F242-A283 VanDerWaalsContact CG-CB 3.45Å; F242-A283 HydrophobicContact CZ-CB 3.93Å; W279-A283 PolarHBondContact O-N 3.39Å; C280-A283 PolarHBondContact O-N 3.01Å; C280-A283 VanDerWaalsContact O-N 3.16Å; A283-E285 VanDerWaalsContact C-N 3.34Å
284L87.8Confident84.3Confident28 Ų2828 Ų2815%0.14713%0.133CC..THydrogen-bonded Turntrans-87.45.3178.8-60.6173.5000113.9M154 L156 F242 D243 L246 C280 R282 A286M154-L284 HydrophobicContact CE-CB 3.74Å; M154-L284 HydrophobicContact CE-CD1 3.53Å; M154-L284 HydrophobicContact CE-CG 4.22Å; L156-L284 HydrophobicContact CD1-CD1 4.19Å; F242-L284 HydrophobicContact CB-CD1 4.42Å; F242-L284 HydrophobicContact CB-CD2 3.85Å; F242-L284 HydrophobicContact CB-CG 4Å; D243-L284 VanDerWaalsContact OD1-CD2 3.23Å; D243-L284 WeakPolarHBondContact OD1-CD2 3.49Å; L246-L284 HydrophobicContact CB-CD1 4.36Å; L246-L284 HydrophobicContact CD2-CD1 3.77Å; C280-L284 WeakPolarHBondContact O-CB 3.47Å; C280-L284 VanDerWaalsContact O-CG 3.27Å; C280-L284 WeakPolarHBondContact O-CG 3.47Å; C280-L284 PolarHBondContact O-N 3.38Å; R282-L284 VanDerWaalsContact C-N 3.25Å; R282-L284 PolarHBondContact O-N 2.69Å; L284-A286 PolarHBondContact O-N 2.93Å
285E85Confident84.1Confident85 Ų8530.1 Ų30.140%0.39715%0.148SC..THydrogen-bonded Turntrans55.826.9-175.4-56.3-179.8166.100114.7R91 K94 Y281 R282 A283R91-E285 IonicContact CZ-OE1 3.37Å; R91-E285 IonicContact NE-OE1 3.79Å; R91-E285 PolarHBondContact NE-OE1 2.87Å; R91-E285 IonicContact NE-OE2 2.66Å; R91-E285 VanDerWaalsContact NH2-CD 3.29Å; R91-E285 IonicContact NH2-OE1 2.7Å; R91-E285 PolarHBondContact NH2-OE1 3.4Å; K94-E285 IonicContact NZ-OE2 3.32Å; K94-E285 PolarHBondContact NZ-OE2 2.8Å; K94-E285 VanDerWaalsContact NZ-OE2 3.12Å; Y281-E285 PolarHBondContact O-N 3.39Å; R282-E285 PolarHBondContact O-N 2.9Å; R282-E285 VanDerWaalsContact O-N 3.16Å; A283-E285 VanDerWaalsContact C-N 3.34Å
286A80.6Confident84Confident0 Ų030.2 Ų30.20%015%0.148CC..  trans-94.7-4.2-178.300000114L88 M154 Y281 L284 S288 C289L88-A286 VanDerWaalsContact CD2-CA 3.42Å; L88-A286 HydrophobicContact CD2-CB 3.34Å; M154-A286 HydrophobicContact CE-CB 3.86Å; M154-A286 HydrophobicContact SD-CB 3.59Å; M154-A286 VanDerWaalsContact SD-CB 3.59Å; Y281-A286 PolarHBondContact O-N 3.24Å; L284-A286 PolarHBondContact O-N 2.93Å; A286-S288 VanDerWaalsContact C-N 3.26Å; A286-S288 PolarHBondContact O-N 2.94Å; A286-C289 PolarHBondContact O-N 3.38Å
287L73.8Confident83.9Confident13 Ų1330.1 Ų30.17%0.06815%0.147CC..THydrogen-bonded Turntrans-56.6-37.1-172.2-147.885.3000113.7V278 Y281 R282 C289 L338 L342V278-L287 HydrophobicContact CG1-CD1 3.59Å; V278-L287 WeakPolarHBondContact O-CD1 3.47Å; Y281-L287 PolarHBondContact O-N 3.07Å; R282-L287 HydrophobicContact CB-CD1 4.01Å; L287-C289 VanDerWaalsContact C-N 3.27Å; L287-C289 PolarHBondContact O-N 3.14Å; L287-L338 HydrophobicContact CD2-CB 4.34Å; L287-L338 HydrophobicContact CD2-CD2 3.51Å; L287-L338 HydrophobicContact CD2-CG 3.6Å; L287-L342 HydrophobicContact CB-CD1 4.18Å; L287-L342 HydrophobicContact CD2-CD1 3.97Å
288S58.5Low83.8Confident38 Ų3835.3 Ų35.327%0.26617%0.172SC..THydrogen-bonded Turntrans-75.9-12.6-179.653.90000114.3Q4 A286Q4-S288 PolarHBondContact NE2-OG 3.1Å; A286-S288 VanDerWaalsContact C-N 3.26Å; A286-S288 PolarHBondContact O-N 2.94Å
289C56.8Low83.6Confident16 Ų1639 Ų3911%0.10819%0.186CC..THydrogen-bonded Turntrans-99.1-19.7-171.1-66.70000113.1L88 K152 A286 L287L88-C289 HydrophobicContact CD2-CB 4.14Å; K152-C289 HydrophobicContact CD-CB 4.37Å; K152-C289 WeakPolarHBondContact CD-O 3.28Å; A286-C289 PolarHBondContact O-N 3.38Å; L287-C289 VanDerWaalsContact C-N 3.27Å; L287-C289 PolarHBondContact O-N 3.14Å
290L59.3Low83.5Confident7 Ų738.8 Ų38.84%0.03719%0.185CC..  trans-112.1106.5-173.1-60.5174.1000109.4Y281 D292 G293Y281-L290 HydrophobicContact CD1-CD1 3.64Å; Y281-L290 HydrophobicContact CD2-CD1 3.84Å; Y281-L290 HydrophobicContact CE1-CD1 3.37Å; Y281-L290 HydrophobicContact CE2-CB 4.49Å; Y281-L290 HydrophobicContact CE2-CD1 3.59Å; Y281-L290 HydrophobicContact CG-CD1 3.88Å; L290-D292 HydrophobicContact CB-CB 4.3Å; L290-D292 PolarHBondContact O-N 2.86Å; L290-D292 VanDerWaalsContact O-N 3.08Å; L290-G293 PolarHBondContact O-N 3.04Å
291E68.2Low83.5Confident167 Ų16741.3 Ų41.378%0.7820%0.196SC*.THydrogen-bonded Turntrans-53-26.3167-65.5-175.216900111.3G293 R294E291-G293 VanDerWaalsContact C-N 3.29Å; E291-G293 PolarHBondContact O-N 2.78Å; E291-R294 PolarHBondContact O-N 3.35Å
292D82.3Confident83.4Confident16 Ų1644.9 Ų44.99%0.08622%0.216CC..Hα-helixtrans-56.2-36.5174.9-175.132000113.5G133 Y281 L290 R294 S295 R296 R299G133-D292 WeakPolarHBondContact CA-OD2 3.44Å; G133-D292 PolarHBondContact N-OD2 3.09Å; Y281-D292 PolarHBondContact OH-OD2 3.29Å; L290-D292 HydrophobicContact CB-CB 4.3Å; L290-D292 PolarHBondContact O-N 2.86Å; L290-D292 VanDerWaalsContact O-N 3.08Å; D292-R294 VanDerWaalsContact C-N 3.29Å; D292-R294 PolarHBondContact O-N 3.15Å; D292-S295 PolarHBondContact O-N 2.85Å; D292-S295 PolarHBondContact O-OG 3.06Å; D292-S295 PolarHBondContact OD1-OG 2.94Å; D292-R296 VanDerWaalsContact CG-NE 3.31Å; D292-R296 WeakPolarHBondContact O-CG 3.42Å; D292-R296 PolarHBondContact O-N 2.79Å; D292-R296 IonicContact OD1-CZ 3.66Å; D292-R296 IonicContact OD1-NE 3.27Å; D292-R296 PolarHBondContact OD1-NE 3.24Å; D292-R296 IonicContact OD1-NH2 3.76Å; D292-R296 IonicContact OD2-CZ 2.72Å; D292-R296 VanDerWaalsContact OD2-CZ 3.27Å; D292-R296 IonicContact OD2-NE 2.62Å; D292-R296 PolarHBondContact OD2-NE 2.87Å; D292-R296 IonicContact OD2-NH2 3.61Å; D292-R296 PolarHBondContact OD2-NH2 3.18Å; D292-R299 IonicContact OD1-NH2 3.69Å; D292-R299 PolarHBondContact OD1-NH2 3.12Å
293G87.8Confident83.3Confident1 Ų142.3 Ų42.31%0.0121%0.206CC..Hα-helixtrans-57-40.1-177.200000113.3L290 E291 R296 L297L290-G293 PolarHBondContact O-N 3.04Å; E291-G293 VanDerWaalsContact C-N 3.29Å; E291-G293 PolarHBondContact O-N 2.78Å; G293-R296 PolarHBondContact O-N 3.21Å; G293-L297 WeakPolarHBondContact O-CG 3.36Å; G293-L297 PolarHBondContact O-N 3.07Å; G293-L297 VanDerWaalsContact O-N 3.11Å
294R88.7Confident83.2Confident135 Ų13541.7 Ų41.751%0.50920%0.201SC..Hα-helixtrans-62.6-48.2175-174.7-168.5-76.8-140.47.7111.2E291 D292 R296 L297 Q298 L339 E343E291-R294 PolarHBondContact O-N 3.35Å; D292-R294 VanDerWaalsContact C-N 3.29Å; D292-R294 PolarHBondContact O-N 3.15Å; R294-R296 VanDerWaalsContact C-N 3.26Å; R294-R296 PolarHBondContact O-N 3.41Å; R294-L297 PolarHBondContact O-N 2.91Å; R294-Q298 PolarHBondContact O-N 3.2Å; R294-L339 HydrophobicContact CB-CD1 3.91Å; R294-L339 HydrophobicContact CB-CD2 4.49Å; R294-L339 HydrophobicContact CG-CD2 4.39Å; R294-E343 IonicContact CZ-OE1 2.73Å; R294-E343 VanDerWaalsContact CZ-OE1 3.27Å; R294-E343 IonicContact CZ-OE2 3.52Å; R294-E343 IonicContact NE-OE1 2.71Å; R294-E343 PolarHBondContact NE-OE1 3.19Å; R294-E343 IonicContact NH2-OE1 3.17Å; R294-E343 PolarHBondContact NH2-OE1 3.06Å; R294-E343 IonicContact NH2-OE2 3.59Å; R294-E343 PolarHBondContact NH2-OE2 3.27Å
295S91Very high83.2Confident45 Ų4543 Ų4332%0.31521%0.208SC..Hα-helixtrans-62.8-34.3-178.984.40000112.3D292 R299D292-S295 PolarHBondContact O-N 2.85Å; D292-S295 PolarHBondContact O-OG 3.06Å; D292-S295 PolarHBondContact OD1-OG 2.94Å; S295-R299 WeakPolarHBondContact O-CB 3.45Å; S295-R299 WeakPolarHBondContact O-CG 3.16Å; S295-R299 PolarHBondContact O-N 3.34Å; S295-R299 PolarHBondContact O-NE 3.44Å; S295-R299 PolarHBondContact OG-NH2 3.22Å
296R92.8Very high83.2Confident4 Ų445.6 Ų45.62%0.01521%0.214CC..Hα-helixtrans-68.8-46.7176.7-70-170.2-178.9-82.3-2111.7D253 Q274 I277 V278 D292 G293 R294 Q298 R299 A300D253-R296 VanDerWaalsContact CG-NH1 3.28Å; D253-R296 IonicContact OD1-NH1 2.78Å; D253-R296 IonicContact OD2-CZ 3.2Å; D253-R296 IonicContact OD2-NH1 3.09Å; D253-R296 PolarHBondContact OD2-NH1 3.42Å; D253-R296 IonicContact OD2-NH2 2.58Å; D253-R296 PolarHBondContact OD2-NH2 3.1Å; D253-R296 VanDerWaalsContact OD2-NH2 3.09Å; Q274-R296 HydrophobicContact CB-CB 4.25Å; Q274-R296 VanDerWaalsContact OE1-CG 3.3Å; I277-R296 VanDerWaalsContact CD1-NH1 3.33Å; V278-R296 HydrophobicContact CG2-CB 3.5Å; V278-R296 HydrophobicContact CG2-CG 4.34Å; D292-R296 VanDerWaalsContact CG-NE 3.31Å; D292-R296 WeakPolarHBondContact O-CG 3.42Å; D292-R296 PolarHBondContact O-N 2.79Å; D292-R296 IonicContact OD1-CZ 3.66Å; D292-R296 IonicContact OD1-NE 3.27Å; D292-R296 PolarHBondContact OD1-NE 3.24Å; D292-R296 IonicContact OD1-NH2 3.76Å; D292-R296 IonicContact OD2-CZ 2.72Å; D292-R296 VanDerWaalsContact OD2-CZ 3.27Å; D292-R296 IonicContact OD2-NE 2.62Å; D292-R296 PolarHBondContact OD2-NE 2.87Å; D292-R296 IonicContact OD2-NH2 3.61Å; D292-R296 PolarHBondContact OD2-NH2 3.18Å; G293-R296 PolarHBondContact O-N 3.21Å; R294-R296 VanDerWaalsContact C-N 3.26Å; R294-R296 PolarHBondContact O-N 3.41Å; R296-Q298 VanDerWaalsContact C-N 3.31Å; R296-Q298 PolarHBondContact O-N 2.7Å; R296-R299 VanDerWaalsContact CG-NH2 3.3Å; R296-R299 PolarHBondContact O-N 3.49Å; R296-A300 WeakPolarHBondContact O-CB 3.4Å; R296-A300 PolarHBondContact O-N 3.4Å
297L93.9Very high83.2Confident4 Ų446.1 Ų46.12%0.02122%0.218CC..Hα-helixtrans-62.9-38.7176.6-66.7176.5000111.8L275 V278 G293 R294 A300 E301 L332 L335 Q336 L339L275-L297 HydrophobicContact CD1-CD2 4.06Å; V278-L297 HydrophobicContact CB-CD2 4.07Å; V278-L297 HydrophobicContact CB-CG 4.45Å; V278-L297 HydrophobicContact CG1-CD1 4.16Å; V278-L297 HydrophobicContact CG1-CD2 3.87Å; V278-L297 HydrophobicContact CG1-CG 4Å; V278-L297 HydrophobicContact CG2-CD2 4.15Å; V278-L297 HydrophobicContact CG2-CG 4.17Å; G293-L297 WeakPolarHBondContact O-CG 3.36Å; G293-L297 PolarHBondContact O-N 3.07Å; G293-L297 VanDerWaalsContact O-N 3.11Å; R294-L297 PolarHBondContact O-N 2.91Å; L297-A300 PolarHBondContact O-N 2.77Å; L297-E301 WeakPolarHBondContact O-CB 3.31Å; L297-E301 PolarHBondContact O-N 2.97Å; L297-L332 HydrophobicContact CB-CD1 4.24Å; L297-L332 HydrophobicContact CD2-CD1 3.97Å; L297-L335 HydrophobicContact CD1-CB 3.96Å; L297-L335 HydrophobicContact CD2-CB 3.81Å; L297-L335 HydrophobicContact CD2-CD1 4.02Å; L297-Q336 HydrophobicContact CB-CG 4.21Å; L297-Q336 HydrophobicContact CD1-CG 3.97Å; L297-L339 HydrophobicContact CD1-CD1 4.28Å
298Q92.8Very high83.6Confident110 Ų11046 Ų4651%0.51422%0.216SC..Hα-helixtrans-64.2-46.8175.3-173.3175.40.800111.7R294 R296 A300 E301 D302R294-Q298 PolarHBondContact O-N 3.2Å; R296-Q298 VanDerWaalsContact C-N 3.31Å; R296-Q298 PolarHBondContact O-N 2.7Å; Q298-A300 VanDerWaalsContact C-N 3.28Å; Q298-A300 PolarHBondContact O-N 3.05Å; Q298-E301 PolarHBondContact O-N 2.93Å; Q298-D302 WeakPolarHBondContact O-CB 3.29Å; Q298-D302 VanDerWaalsContact O-CG 3.29Å; Q298-D302 PolarHBondContact O-N 3.25Å
299R91.5Very high84.5Confident78 Ų7844.6 Ų44.629%0.29421%0.208SC..Hα-helixtrans-58-40.3174.5-79.2-178.9-77.1167.7-10.9112.4Y270 Q274 D292 S295 R296 C303Y270-R299 PolarHBondContact OH-NH1 3.1Å; Q274-R299 HydrophobicContact CG-CB 4.36Å; D292-R299 IonicContact OD1-NH2 3.69Å; D292-R299 PolarHBondContact OD1-NH2 3.12Å; S295-R299 WeakPolarHBondContact O-CB 3.45Å; S295-R299 WeakPolarHBondContact O-CG 3.16Å; S295-R299 PolarHBondContact O-N 3.34Å; S295-R299 PolarHBondContact O-NE 3.44Å; S295-R299 PolarHBondContact OG-NH2 3.22Å; R296-R299 VanDerWaalsContact CG-NH2 3.3Å; R296-R299 PolarHBondContact O-N 3.49Å; R299-C303 VanDerWaalsContact O-CB 3.24Å; R299-C303 WeakPolarHBondContact O-CB 3.47Å; R299-C303 PolarHBondContact O-N 3.41Å; R299-C303 VanDerWaalsContact O-N 3.1Å
300A93.6Very high85.2Confident0 Ų051.8 Ų51.80%024%0.24CC..Hα-helixtrans-64.3-48.1176.800000111.3A271 Q274 R296 L297 Q298 C303 F304 L332A271-A300 HydrophobicContact CB-CB 4.3Å; Q274-A300 HydrophobicContact CB-CB 4.15Å; R296-A300 WeakPolarHBondContact O-CB 3.4Å; R296-A300 PolarHBondContact O-N 3.4Å; L297-A300 PolarHBondContact O-N 2.77Å; Q298-A300 VanDerWaalsContact C-N 3.28Å; Q298-A300 PolarHBondContact O-N 3.05Å; A300-C303 PolarHBondContact O-N 3.49Å; A300-F304 HydrophobicContact CB-CE2 4.32Å; A300-F304 WeakPolarHBondContact O-CD2 3.4Å; A300-F304 VanDerWaalsContact O-CG 3.3Å; A300-F304 WeakPolarHBondContact O-CG 3.27Å; A300-F304 PolarHBondContact O-N 2.88Å; A300-L332 HydrophobicContact CB-CD1 4.36Å
301E93.2Very high85.4Confident53 Ų5359.6 Ų59.625%0.24828%0.276CS..Hα-helixtrans-59.8-50.8177.6-173.8166.7-149.200112L297 Q298 C303 F304 L305 L332 Q336L297-E301 WeakPolarHBondContact O-CB 3.31Å; L297-E301 PolarHBondContact O-N 2.97Å; Q298-E301 PolarHBondContact O-N 2.93Å; E301-C303 PolarHBondContact O-N 3.35Å; E301-F304 PolarHBondContact O-N 3.46Å; E301-L305 HydrophobicContact CG-CD1 3.94Å; E301-L305 HydrophobicContact CG-CG 4.37Å; E301-L305 WeakPolarHBondContact O-CB 3.36Å; E301-L305 VanDerWaalsContact O-CG 3.29Å; E301-L305 WeakPolarHBondContact O-CG 3.27Å; E301-L305 PolarHBondContact O-N 3.39Å; E301-L332 HydrophobicContact CB-CD1 4.46Å; E301-L332 HydrophobicContact CB-CD2 3.81Å; E301-L332 HydrophobicContact CG-CD2 4.07Å; E301-Q336 PolarHBondContact OE2-NE2 3.1Å
302D91.1Very high85.5Confident75 Ų7553 Ų5340%0.40125%0.246SC..Hα-helixtrans-59.5-34178.7-69.1-22.9000112.1Q298 R306Q298-D302 WeakPolarHBondContact O-CB 3.29Å; Q298-D302 VanDerWaalsContact O-CG 3.29Å; Q298-D302 PolarHBondContact O-N 3.25Å; D302-R306 WeakPolarHBondContact O-CB 3.35Å; D302-R306 VanDerWaalsContact O-CG 3.25Å; D302-R306 WeakPolarHBondContact O-CG 3.44Å; D302-R306 PolarHBondContact O-N 2.93Å; D302-R306 PolarHBondContact O-NE 3.02Å
303C89.8Confident84.9Confident1 Ų156.4 Ų56.41%0.00726%0.261CS..Hα-helixtrans-76-44.9177.1-176.80000111.8A271 R299 A300 E301 L305 R306 C307A271-C303 HydrophobicContact CB-CB 3.67Å; R299-C303 VanDerWaalsContact O-CB 3.24Å; R299-C303 WeakPolarHBondContact O-CB 3.47Å; R299-C303 PolarHBondContact O-N 3.41Å; R299-C303 VanDerWaalsContact O-N 3.1Å; A300-C303 PolarHBondContact O-N 3.49Å; E301-C303 PolarHBondContact O-N 3.35Å; C303-L305 VanDerWaalsContact C-N 3.35Å; C303-L305 PolarHBondContact O-N 3.43Å; C303-R306 PolarHBondContact O-N 3.46Å; C303-C307 WeakPolarHBondContact O-CB 3.17Å; C303-C307 PolarHBondContact O-N 3.11Å; C303-C307 PolarHBondContact O-SG 3.39Å
304F89.3Confident83.9Confident0 Ų061.4 Ų61.40%028%0.28CS..Hα-helixtrans-61.2-41.8175.4-67.9-30000112.2D268 A271 V272 L275 A300 E301 R306 C307 Y308 L328 F329 L332D268-F304 HydrophobicContact CB-CD1 4.34Å; D268-F304 HydrophobicContact CB-CE1 4.28Å; A271-F304 HydrophobicContact CB-CD1 3.68Å; A271-F304 HydrophobicContact CB-CE1 3.35Å; A271-F304 HydrophobicContact CB-CE2 4.5Å; A271-F304 HydrophobicContact CB-CG 4.38Å; A271-F304 HydrophobicContact CB-CZ 3.81Å; V272-F304 HydrophobicContact CG2-CE1 4.09Å; V272-F304 HydrophobicContact CG2-CZ 4.29Å; L275-F304 HydrophobicContact CD2-CE2 4.35Å; L275-F304 HydrophobicContact CD2-CZ 4.38Å; A300-F304 HydrophobicContact CB-CE2 4.32Å; A300-F304 WeakPolarHBondContact O-CD2 3.4Å; A300-F304 VanDerWaalsContact O-CG 3.3Å; A300-F304 WeakPolarHBondContact O-CG 3.27Å; A300-F304 PolarHBondContact O-N 2.88Å; E301-F304 PolarHBondContact O-N 3.46Å; F304-R306 VanDerWaalsContact C-N 3.32Å; F304-R306 PolarHBondContact O-N 3.26Å; F304-C307 PolarHBondContact O-N 2.9Å; F304-Y308 HydrophobicContact CB-CD2 3.88Å; F304-Y308 HydrophobicContact CB-CE2 4Å; F304-Y308 HydrophobicContact CD1-CD2 4.22Å; F304-Y308 AromaticContact CD1-CE2 3.47Å; F304-Y308 HydrophobicContact CD1-CE2 3.47Å; F304-Y308 VanDerWaalsContact CD1-CE2 3.47Å; F304-Y308 HydrophobicContact CE1-CE2 4.17Å; F304-Y308 HydrophobicContact CG-CD2 4.31Å; F304-Y308 AromaticContact CG-CE2 3.92Å; F304-Y308 HydrophobicContact CG-CE2 3.92Å; F304-Y308 WeakPolarHBondContact O-CB 3.44Å; F304-Y308 WeakPolarHBondContact O-CD2 3.42Å; F304-Y308 PolarHBondContact O-N 3.28Å; F304-L328 HydrophobicContact CE1-CD1 3.97Å; F304-L328 HydrophobicContact CE2-CB 4.13Å; F304-L328 HydrophobicContact CZ-CB 3.97Å; F304-L328 HydrophobicContact CZ-CD1 4.08Å; F304-F329 HydrophobicContact CB-CE1 4.03Å; F304-F329 HydrophobicContact CB-CZ 3.84Å; F304-L332 HydrophobicContact CD2-CD2 3.99Å; F304-L332 HydrophobicContact CE2-CD2 4.45Å
305L87.3Confident82.9Confident55 Ų5555.2 Ų55.229%0.28826%0.257SS..Hα-helixtrans-62.6-38.8175.9-69.2172.4000112E301 C303 G309E301-L305 HydrophobicContact CG-CD1 3.94Å; E301-L305 HydrophobicContact CG-CG 4.37Å; E301-L305 WeakPolarHBondContact O-CB 3.36Å; E301-L305 VanDerWaalsContact O-CG 3.29Å; E301-L305 WeakPolarHBondContact O-CG 3.27Å; E301-L305 PolarHBondContact O-N 3.39Å; C303-L305 VanDerWaalsContact C-N 3.35Å; C303-L305 PolarHBondContact O-N 3.43Å; L305-G309 CarbonylContact O-C 3.49Å; L305-G309 WeakPolarHBondContact O-CA 3.41Å; L305-G309 PolarHBondContact O-N 2.87Å
306R85.2Confident81.6Confident139 Ų13957.9 Ų57.953%0.52527%0.267SS..Hα-helixtrans-69.9-40.7175-75.7-178.2-67.7160.40.6112.9D302 C303 F304 R314D302-R306 WeakPolarHBondContact O-CB 3.35Å; D302-R306 VanDerWaalsContact O-CG 3.25Å; D302-R306 WeakPolarHBondContact O-CG 3.44Å; D302-R306 PolarHBondContact O-N 2.93Å; D302-R306 PolarHBondContact O-NE 3.02Å; C303-R306 PolarHBondContact O-N 3.46Å; F304-R306 VanDerWaalsContact C-N 3.32Å; F304-R306 PolarHBondContact O-N 3.26Å; R306-R314 PolarHBondContact O-NH1 2.69Å
307C81.3Confident79.9Confident12 Ų1264.9 Ų64.98%0.08130%0.301CS..Hα-helixtrans-75.8-42.2-176.5-65.50000112.2C303 F304 R314C303-C307 WeakPolarHBondContact O-CB 3.17Å; C303-C307 PolarHBondContact O-N 3.11Å; C303-C307 PolarHBondContact O-SG 3.39Å; F304-C307 PolarHBondContact O-N 2.9Å; C307-R314 VanDerWaalsContact O-CD 3.3Å; C307-R314 WeakPolarHBondContact O-CD 3.3Å
308Y81.7Confident78.2Confident9 Ų968.5 Ų68.54%0.03532%0.32CS..Hα-helixtrans-104.5-20.9-172.6-50.3-41.6000113.6D268 F304 Q312 Q313 R314 L315 E325 L328 F329D268-Y308 HydrophobicContact CB-CE1 4.31Å; D268-Y308 WeakPolarHBondContact CB-OH 3.27Å; D268-Y308 VanDerWaalsContact CG-OH 3.24Å; D268-Y308 WeakPolarHBondContact OD2-CE1 3.31Å; D268-Y308 VanDerWaalsContact OD2-CZ 3.28Å; D268-Y308 PolarHBondContact OD2-OH 2.8Å; F304-Y308 HydrophobicContact CB-CD2 3.88Å; F304-Y308 HydrophobicContact CB-CE2 4Å; F304-Y308 HydrophobicContact CD1-CD2 4.22Å; F304-Y308 AromaticContact CD1-CE2 3.47Å; F304-Y308 HydrophobicContact CD1-CE2 3.47Å; F304-Y308 VanDerWaalsContact CD1-CE2 3.47Å; F304-Y308 HydrophobicContact CE1-CE2 4.17Å; F304-Y308 HydrophobicContact CG-CD2 4.31Å; F304-Y308 AromaticContact CG-CE2 3.92Å; F304-Y308 HydrophobicContact CG-CE2 3.92Å; F304-Y308 WeakPolarHBondContact O-CB 3.44Å; F304-Y308 WeakPolarHBondContact O-CD2 3.42Å; F304-Y308 PolarHBondContact O-N 3.28Å; Y308-Q312 CarbonylContact O-C 3.47Å; Y308-Q312 WeakPolarHBondContact O-CA 3.26Å; Y308-Q313 PolarHBondContact O-N 3.25Å; Y308-R314 VanDerWaalsContact O-CB 3.3Å; Y308-R314 WeakPolarHBondContact O-CB 3.32Å; Y308-R314 PolarHBondContact O-N 3.2Å; Y308-L315 HydrophobicContact CD1-CB 4.33Å; Y308-L315 HydrophobicContact CD1-CD1 3.96Å; Y308-L315 HydrophobicContact CE1-CD1 4.27Å; Y308-L315 PolarHBondContact O-N 2.95Å; Y308-E325 HydrophobicContact CE1-CG 4.29Å; Y308-E325 HydrophobicContact CE2-CB 4.43Å; Y308-L328 HydrophobicContact CE2-CD1 4.46Å; Y308-L328 WeakPolarHBondContact OH-CD1 3.36Å; Y308-F329 AromaticContact CD2-CE2 3.49Å; Y308-F329 HydrophobicContact CD2-CE2 3.49Å; Y308-F329 VanDerWaalsContact CD2-CE2 3.49Å; Y308-F329 AromaticContact CD2-CZ 3.69Å; Y308-F329 HydrophobicContact CD2-CZ 3.69Å; Y308-F329 HydrophobicContact CE2-CE2 4.03Å; Y308-F329 HydrophobicContact CE2-CZ 4.45Å; Y308-F329 HydrophobicContact CG-CE2 4.44Å
309G76.6Confident76.7Confident9 Ų966.5 Ų66.59%0.09331%0.31CS..  trans89.7156.2-17300000112.7L305 Q311 Q312L305-G309 CarbonylContact O-C 3.49Å; L305-G309 WeakPolarHBondContact O-CA 3.41Å; L305-G309 PolarHBondContact O-N 2.87Å; G309-Q311 VanDerWaalsContact C-N 3.26Å; G309-Q311 PolarHBondContact O-N 2.87Å; G309-Q312 PolarHBondContact O-N 2.71Å
310E71.3Confident75.2Confident168 Ų16865.9 Ų65.979%0.78533%0.327SS*.THydrogen-bonded Turntrans-57.7-34-177-66.6-17617400114.4
311Q65.1Low73.8Confident171 Ų17166.9 Ų66.980%0.79933%0.333SS*.THydrogen-bonded Turntrans-112.724.1174.9-58.9-177.6-11.200111.2G309 Q313G309-Q311 VanDerWaalsContact C-N 3.26Å; G309-Q311 PolarHBondContact O-N 2.87Å; Q311-Q313 VanDerWaalsContact C-OE1 3.25Å; Q311-Q313 VanDerWaalsContact CA-OE1 3.24Å; Q311-Q313 PolarHBondContact O-N 2.73Å
312Q69.9Low72.4Confident29 Ų2965.8 Ų65.814%0.13633%0.33CS..SBendtrans57.818.6-177-56.3168.7-3.600113.5Y308 G309 R314 L315 L316 T322 F329Y308-Q312 CarbonylContact O-C 3.47Å; Y308-Q312 WeakPolarHBondContact O-CA 3.26Å; G309-Q312 PolarHBondContact O-N 2.71Å; Q312-R314 PolarHBondContact O-N 3.42Å; Q312-L315 HydrophobicContact CB-CB 4.44Å; Q312-L315 WeakPolarHBondContact O-CB 3.34Å; Q312-L315 PolarHBondContact O-N 2.72Å; Q312-L315 VanDerWaalsContact O-N 3.11Å; Q312-L316 PolarHBondContact O-N 2.77Å; Q312-T322 HydrophobicContact CB-CG2 4.23Å; Q312-F329 HydrophobicContact CG-CE2 4.19Å; Q312-F329 HydrophobicContact CG-CZ 4.44Å
313Q70Confident71.3Confident87 Ų8762.5 Ų62.541%0.40731%0.313SS..Hα-helixtrans-61.6-33.5-175.664.1-83.711.800112.2Y308 Q311 M317Y308-Q313 PolarHBondContact O-N 3.25Å; Q311-Q313 VanDerWaalsContact C-OE1 3.25Å; Q311-Q313 VanDerWaalsContact CA-OE1 3.24Å; Q311-Q313 PolarHBondContact O-N 2.73Å; Q313-M317 WeakPolarHBondContact O-CG 3.23Å; Q313-M317 PolarHBondContact O-N 2.94Å
314R66.3Low70.9Confident106 Ų10662.5 Ų62.540%0.431%0.313SS..Hα-helixtrans-72.9-37.8178.7-178.9175.2175.6-168.10.9110.7R306 C307 Y308 Q312 M317 I318R306-R314 PolarHBondContact O-NH1 2.69Å; C307-R314 VanDerWaalsContact O-CD 3.3Å; C307-R314 WeakPolarHBondContact O-CD 3.3Å; Y308-R314 VanDerWaalsContact O-CB 3.3Å; Y308-R314 WeakPolarHBondContact O-CB 3.32Å; Y308-R314 PolarHBondContact O-N 3.2Å; Q312-R314 PolarHBondContact O-N 3.42Å; R314-M317 PolarHBondContact O-N 3.2Å; R314-I318 HydrophobicContact CG-CD1 3.62Å; R314-I318 HydrophobicContact CG-CG1 4.35Å; R314-I318 WeakPolarHBondContact O-CB 3.33Å; R314-I318 VanDerWaalsContact O-CG1 3.22Å; R314-I318 WeakPolarHBondContact O-CG1 3.39Å; R314-I318 PolarHBondContact O-N 2.66Å
315L66.6Low70.8Confident5 Ų562.5 Ų62.53%0.02631%0.313CS..Hα-helixtrans-61.7-46.2174-176.768.8000111.1Y308 Q312 M317 I318 K319 T322 E325Y308-L315 HydrophobicContact CD1-CB 4.33Å; Y308-L315 HydrophobicContact CD1-CD1 3.96Å; Y308-L315 HydrophobicContact CE1-CD1 4.27Å; Y308-L315 PolarHBondContact O-N 2.95Å; Q312-L315 HydrophobicContact CB-CB 4.44Å; Q312-L315 WeakPolarHBondContact O-CB 3.34Å; Q312-L315 PolarHBondContact O-N 2.72Å; Q312-L315 VanDerWaalsContact O-N 3.11Å; L315-M317 VanDerWaalsContact C-N 3.34Å; L315-M317 PolarHBondContact O-N 3.33Å; L315-I318 PolarHBondContact O-N 3.31Å; L315-K319 HydrophobicContact CD1-CD 3.89Å; L315-K319 HydrophobicContact CD1-CG 4.22Å; L315-K319 PolarHBondContact O-N 3.43Å; L315-T322 HydrophobicContact CB-CG2 4.24Å; L315-T322 HydrophobicContact CD2-CG2 4.04Å; L315-T322 HydrophobicContact CG-CG2 4.16Å; L315-E325 HydrophobicContact CD1-CG 3.92Å; L315-E325 HydrophobicContact CD2-CB 3.65Å; L315-E325 HydrophobicContact CD2-CG 3.89Å
316L64.3Low70.8Confident100 Ų10060.9 Ų60.952%0.52430%0.304SS..Hα-helixtrans-59.8-43175.7-167.2121.4000111.9Q312 I318 G320 T322Q312-L316 PolarHBondContact O-N 2.77Å; L316-I318 PolarHBondContact O-N 3.32Å; L316-G320 VanDerWaalsContact O-CA 3.22Å; L316-G320 WeakPolarHBondContact O-CA 3.3Å; L316-G320 PolarHBondContact O-N 2.99Å; L316-T322 HydrophobicContact CB-CG2 3.62Å; L316-T322 HydrophobicContact CD1-CG2 3.9Å; L316-T322 HydrophobicContact CG-CG2 4.28Å
317M56.5Low71.2Confident152 Ų15254.2 Ų54.275%0.74928%0.279SS*.Hα-helixtrans-65.5-34.7176.7-74.7-162.4-59.400113.7Q313 R314 L315Q313-M317 WeakPolarHBondContact O-CG 3.23Å; Q313-M317 PolarHBondContact O-N 2.94Å; R314-M317 PolarHBondContact O-N 3.2Å; L315-M317 VanDerWaalsContact C-N 3.34Å; L315-M317 PolarHBondContact O-N 3.33Å
318I58.6Low71.7Confident80 Ų8054 Ų5441%0.4128%0.276SS..Hα-helixtrans-84.9-44-175.4-66.6169.9000111.6R314 L315 L316R314-I318 HydrophobicContact CG-CD1 3.62Å; R314-I318 HydrophobicContact CG-CG1 4.35Å; R314-I318 WeakPolarHBondContact O-CB 3.33Å; R314-I318 VanDerWaalsContact O-CG1 3.22Å; R314-I318 WeakPolarHBondContact O-CG1 3.39Å; R314-I318 PolarHBondContact O-N 2.66Å; L315-I318 PolarHBondContact O-N 3.31Å; L316-I318 PolarHBondContact O-N 3.32Å
319K61.6Low72.3Confident68 Ų6853.8 Ų53.830%0.29628%0.276SS..Hα-helixtrans-107.9-12-171.1-64.5-164.3-177.7-177.50114.3L315 N321 E325L315-K319 HydrophobicContact CD1-CD 3.89Å; L315-K319 HydrophobicContact CD1-CG 4.22Å; L315-K319 PolarHBondContact O-N 3.43Å; K319-N321 PolarHBondContact O-N 3.12Å; K319-N321 VanDerWaalsContact O-N 3.1Å; K319-E325 WeakPolarHBondContact CD-OE1 3.29Å; K319-E325 WeakPolarHBondContact CE-OE1 3.43Å; K319-E325 IonicContact NZ-OE1 3.25Å; K319-E325 PolarHBondContact NZ-OE1 2.85Å
320G59.4Low73.2Confident64 Ų6453.3 Ų53.366%0.6627%0.271SS*.SBendtrans70.9-4.1-177.500000114.9L316L316-G320 VanDerWaalsContact O-CA 3.22Å; L316-G320 WeakPolarHBondContact O-CA 3.3Å; L316-G320 PolarHBondContact O-N 2.99Å
321N65.3Low74.3Confident22 Ų2246.4 Ų46.412%0.11824%0.238CC..  trans-143.1154.4172.552.963.8000109K319 R324 A389K319-N321 PolarHBondContact O-N 3.12Å; K319-N321 VanDerWaalsContact O-N 3.1Å; N321-R324 PolarHBondContact OD1-NH1 2.95Å; N321-A389 HydrophobicContact CB-CB 4.15Å
322T62.7Low75.8Confident30 Ų3038.2 Ų38.218%0.18420%0.2CC..  trans-122.4-15.1-177.351.60000113.6Q312 L315 L316 R324Q312-T322 HydrophobicContact CB-CG2 4.23Å; L315-T322 HydrophobicContact CB-CG2 4.24Å; L315-T322 HydrophobicContact CD2-CG2 4.04Å; L315-T322 HydrophobicContact CG-CG2 4.16Å; L316-T322 HydrophobicContact CB-CG2 3.62Å; L316-T322 HydrophobicContact CD1-CG2 3.9Å; L316-T322 HydrophobicContact CG-CG2 4.28Å; T322-R324 VanDerWaalsContact C-N 3.28Å; T322-R324 PolarHBondContact O-N 3Å; T322-R324 VanDerWaalsContact O-N 3.16Å
323G68.8Low77.1Confident5 Ų538.5 Ų38.55%0.05220%0.2CC..THydrogen-bonded Turntrans-71-11.5-166.100000116.1L363 R388G323-L363 WeakPolarHBondContact O-CD2 3.47Å; G323-R388 WeakPolarHBondContact CA-O 3.41Å
324R81.3Confident78.4Confident2 Ų234.3 Ų34.31%0.00818%0.18CC..THydrogen-bonded Turntrans-82-45.2179.7-55.8-160.4-172.790.15.5112N321 T322 E326 V327 L385 A389 R404 E559 L562N321-R324 PolarHBondContact OD1-NH1 2.95Å; T322-R324 VanDerWaalsContact C-N 3.28Å; T322-R324 PolarHBondContact O-N 3Å; T322-R324 VanDerWaalsContact O-N 3.16Å; R324-E326 VanDerWaalsContact C-N 3.26Å; R324-E326 PolarHBondContact O-N 3.39Å; R324-V327 WeakPolarHBondContact O-CB 3.37Å; R324-V327 WeakPolarHBondContact O-CG2 3.38Å; R324-V327 PolarHBondContact O-N 3.04Å; R324-L385 PolarHBondContact NE-O 3.28Å; R324-A389 HydrophobicContact CG-CB 3.93Å; R324-R404 VanDerWaalsContact NH1-NH1 3.15Å; R324-E559 IonicContact NE-OE2 2.78Å; R324-E559 IonicContact NH1-OE1 3.77Å; R324-L562 HydrophobicContact CB-CD1 3.94Å
325E87.2Confident79.8Confident0 Ų029.3 Ų29.30%016%0.161CC..THydrogen-bonded Turntrans-73.8-20.1-177.9-64.476.5-179.200112Y308 L315 K319 V327 L328 L562Y308-E325 HydrophobicContact CE1-CG 4.29Å; Y308-E325 HydrophobicContact CE2-CB 4.43Å; L315-E325 HydrophobicContact CD1-CG 3.92Å; L315-E325 HydrophobicContact CD2-CB 3.65Å; L315-E325 HydrophobicContact CD2-CG 3.89Å; K319-E325 WeakPolarHBondContact CD-OE1 3.29Å; K319-E325 WeakPolarHBondContact CE-OE1 3.43Å; K319-E325 IonicContact NZ-OE1 3.25Å; K319-E325 PolarHBondContact NZ-OE1 2.85Å; E325-V327 PolarHBondContact O-N 3.4Å; E325-V327 VanDerWaalsContact O-N 3.1Å; E325-L328 VanDerWaalsContact O-CB 3.29Å; E325-L328 WeakPolarHBondContact O-CB 3.42Å; E325-L328 PolarHBondContact O-N 2.96Å; E325-L562 HydrophobicContact CG-CD1 4.36Å; E325-L562 HydrophobicContact CG-CD2 4.5Å
326E88.2Confident81.2Confident20 Ų2030.1 Ų30.19%0.09317%0.165CC..Hα-helixtrans-54.3-26.6170.8-78-168.6133.800113.1R324 L328 F329 L330 L359 R362 L363R324-E326 VanDerWaalsContact C-N 3.26Å; R324-E326 PolarHBondContact O-N 3.39Å; E326-L328 VanDerWaalsContact C-N 3.25Å; E326-L328 PolarHBondContact O-N 2.78Å; E326-F329 PolarHBondContact O-N 3.25Å; E326-L330 PolarHBondContact O-N 3.48Å; E326-L359 HydrophobicContact CB-CD2 4.05Å; E326-L359 HydrophobicContact CG-CD2 4.24Å; E326-R362 VanDerWaalsContact CD-NH1 3.27Å; E326-R362 IonicContact OE1-CZ 3.17Å; E326-R362 IonicContact OE1-NH1 3.04Å; E326-R362 PolarHBondContact OE1-NH1 3.1Å; E326-R362 IonicContact OE1-NH2 2.89Å; E326-R362 IonicContact OE2-NH1 3.41Å; E326-R362 PolarHBondContact OE2-NH1 2.63Å; E326-R362 VanDerWaalsContact OE2-NH1 3.09Å; E326-L363 HydrophobicContact CB-CD1 3.96Å; E326-L363 HydrophobicContact CB-CD2 3.89Å; E326-L363 HydrophobicContact CB-CG 4.41Å
327V91.9Very high82.7Confident0 Ų025.3 Ų25.30%014%0.14CC..Hα-helixtrans-59.8-35.1172.9174.10000112.1R324 E325 L330 R331 L363 L564 L566R324-V327 WeakPolarHBondContact O-CB 3.37Å; R324-V327 WeakPolarHBondContact O-CG2 3.38Å; R324-V327 PolarHBondContact O-N 3.04Å; E325-V327 PolarHBondContact O-N 3.4Å; E325-V327 VanDerWaalsContact O-N 3.1Å; V327-L330 PolarHBondContact O-N 2.94Å; V327-R331 PolarHBondContact O-N 3.29Å; V327-R331 VanDerWaalsContact O-N 3.14Å; V327-L363 HydrophobicContact CG2-CD1 3.99Å; V327-L363 HydrophobicContact CG2-CD2 4.07Å; V327-L363 HydrophobicContact CG2-CG 4.45Å; V327-L564 HydrophobicContact CG1-CB 3.9Å; V327-L564 HydrophobicContact CG1-CD1 3.36Å; V327-L564 HydrophobicContact CG1-CG 3.68Å; V327-L566 HydrophobicContact CG1-CD2 4.15Å
328L93.5Very high84.5Confident6 Ų618.3 Ų18.33%0.03111%0.105CC..Hα-helixtrans-69-40.7176.4-57176.5000111.2V272 L275 F304 Y308 E325 E326 R331 L332 Y561 L562V272-L328 HydrophobicContact CG2-CD1 4Å; V272-L328 HydrophobicContact CG2-CD2 4.34Å; L275-L328 HydrophobicContact CD2-CD2 4.47Å; F304-L328 HydrophobicContact CE1-CD1 3.97Å; F304-L328 HydrophobicContact CE2-CB 4.13Å; F304-L328 HydrophobicContact CZ-CB 3.97Å; F304-L328 HydrophobicContact CZ-CD1 4.08Å; Y308-L328 HydrophobicContact CE2-CD1 4.46Å; Y308-L328 WeakPolarHBondContact OH-CD1 3.36Å; E325-L328 VanDerWaalsContact O-CB 3.29Å; E325-L328 WeakPolarHBondContact O-CB 3.42Å; E325-L328 PolarHBondContact O-N 2.96Å; E326-L328 VanDerWaalsContact C-N 3.25Å; E326-L328 PolarHBondContact O-N 2.78Å; L328-R331 PolarHBondContact O-N 3.22Å; L328-L332 WeakPolarHBondContact O-CB 3.32Å; L328-L332 PolarHBondContact O-N 2.99Å; L328-Y561 HydrophobicContact CD1-CE2 4.2Å; L328-Y561 HydrophobicContact CD2-CD2 4.35Å; L328-L562 HydrophobicContact CD1-CD2 3.88Å; L328-L562 HydrophobicContact CD2-CD2 4.07Å; L328-L562 HydrophobicContact CG-CD2 3.84Å
329F93.1Very high86.1Confident5 Ų515.5 Ų15.52%0.0229%0.091CC..Hα-helixtrans-65.9-39.2175.2-74.1-84000112F304 Y308 Q312 E326 R331 L332 Y333 L359F304-F329 HydrophobicContact CB-CE1 4.03Å; F304-F329 HydrophobicContact CB-CZ 3.84Å; Y308-F329 AromaticContact CD2-CE2 3.49Å; Y308-F329 HydrophobicContact CD2-CE2 3.49Å; Y308-F329 VanDerWaalsContact CD2-CE2 3.49Å; Y308-F329 AromaticContact CD2-CZ 3.69Å; Y308-F329 HydrophobicContact CD2-CZ 3.69Å; Y308-F329 HydrophobicContact CE2-CE2 4.03Å; Y308-F329 HydrophobicContact CE2-CZ 4.45Å; Y308-F329 HydrophobicContact CG-CE2 4.44Å; Q312-F329 HydrophobicContact CG-CE2 4.19Å; Q312-F329 HydrophobicContact CG-CZ 4.44Å; E326-F329 PolarHBondContact O-N 3.25Å; F329-R331 PolarHBondContact O-N 2.85Å; F329-L332 HydrophobicContact CD1-CD2 4.48Å; F329-L332 PolarHBondContact O-N 2.89Å; F329-Y333 HydrophobicContact CB-CD2 4.38Å; F329-Y333 HydrophobicContact CB-CE2 4Å; F329-Y333 HydrophobicContact CD1-CE2 4.22Å; F329-Y333 AromaticContact CD1-CZ 3.96Å; F329-Y333 WeakPolarHBondContact O-CB 3.29Å; F329-Y333 WeakPolarHBondContact O-CD2 3.43Å; F329-Y333 VanDerWaalsContact O-CG 3.31Å; F329-Y333 PolarHBondContact O-N 2.9Å; F329-L359 HydrophobicContact CB-CD1 4.3Å
330L95Very high87.6Confident0 Ų012.8 Ų12.80%08%0.081CC..Hα-helixtrans-56-52.1173.6-177.4159.8000110.2E326 V327 L332 Y333 L334 V356 L359 Y360 L363 L566 E569E326-L330 PolarHBondContact O-N 3.48Å; V327-L330 PolarHBondContact O-N 2.94Å; L330-L332 PolarHBondContact O-N 2.84Å; L330-Y333 PolarHBondContact O-N 3.4Å; L330-L334 WeakPolarHBondContact O-CB 3.23Å; L330-L334 PolarHBondContact O-N 3.19Å; L330-V356 HydrophobicContact CD2-CG1 4.29Å; L330-V356 HydrophobicContact CG-CG1 4.17Å; L330-L359 HydrophobicContact CB-CB 4.11Å; L330-L359 HydrophobicContact CB-CD1 4.27Å; L330-L359 HydrophobicContact CD1-CB 4.07Å; L330-L359 HydrophobicContact CG-CB 4.27Å; L330-Y360 HydrophobicContact CD1-CD2 4.21Å; L330-L363 HydrophobicContact CB-CD1 4.14Å; L330-L363 HydrophobicContact CD1-CD1 3.8Å; L330-L566 HydrophobicContact CD1-CD1 4.35Å; L330-L566 HydrophobicContact CD1-CD2 4.4Å; L330-L566 HydrophobicContact CD2-CD2 4.33Å; L330-E569 HydrophobicContact CD2-CB 4.04Å; L330-E569 HydrophobicContact CD2-CG 3.79Å
331R96Very high89.2Confident22 Ų229.9 Ų9.98%0.0835%0.05CC..Hα-helixtrans-65.1-39.5179.3-177.4177.7-79.7-175.4-6.5112.1L275 D276 W279 V327 L328 F329 L334 L335 L564 E569L275-R331 HydrophobicContact CD1-CG 4.22Å; L275-R331 HydrophobicContact CD2-CB 4.1Å; L275-R331 HydrophobicContact CD2-CG 4.06Å; L275-R331 HydrophobicContact CG-CG 4.1Å; D276-R331 IonicContact OD1-NH1 3.2Å; W279-R331 HydrophobicContact CE3-CG 3.76Å; W279-R331 HydrophobicContact CZ3-CG 3.92Å; V327-R331 PolarHBondContact O-N 3.29Å; V327-R331 VanDerWaalsContact O-N 3.14Å; L328-R331 PolarHBondContact O-N 3.22Å; F329-R331 PolarHBondContact O-N 2.85Å; R331-L334 PolarHBondContact O-N 2.87Å; R331-L335 HydrophobicContact CG-CD1 4.21Å; R331-L335 WeakPolarHBondContact O-CG 3.32Å; R331-L335 PolarHBondContact O-N 2.95Å; R331-L564 VanDerWaalsContact CZ-CD1 3.44Å; R331-L564 VanDerWaalsContact NH2-CD1 3.35Å; R331-E569 IonicContact CZ-OE1 3.43Å; R331-E569 IonicContact NE-OE1 2.77Å; R331-E569 PolarHBondContact NE-OE1 3.41Å; R331-E569 IonicContact NH2-OE1 2.72Å; R331-E569 PolarHBondContact NH2-OE1 3.2Å
332L96.1Very high90.4Very high0 Ų09.8 Ų9.80%05%0.049CC..Hα-helixtrans-57.8-56.6174.6173.665.4000111.4L275 L297 A300 E301 F304 L328 F329 L330 L334 L335 Q336L275-L332 HydrophobicContact CD1-CB 4.1Å; L275-L332 HydrophobicContact CD1-CD1 4.33Å; L297-L332 HydrophobicContact CB-CD1 4.24Å; L297-L332 HydrophobicContact CD2-CD1 3.97Å; A300-L332 HydrophobicContact CB-CD1 4.36Å; E301-L332 HydrophobicContact CB-CD1 4.46Å; E301-L332 HydrophobicContact CB-CD2 3.81Å; E301-L332 HydrophobicContact CG-CD2 4.07Å; F304-L332 HydrophobicContact CD2-CD2 3.99Å; F304-L332 HydrophobicContact CE2-CD2 4.45Å; L328-L332 WeakPolarHBondContact O-CB 3.32Å; L328-L332 PolarHBondContact O-N 2.99Å; F329-L332 HydrophobicContact CD1-CD2 4.48Å; F329-L332 PolarHBondContact O-N 2.89Å; L330-L332 PolarHBondContact O-N 2.84Å; L332-L334 VanDerWaalsContact C-N 3.25Å; L332-L334 PolarHBondContact O-N 3.36Å; L332-L335 PolarHBondContact O-N 3.49Å; L332-Q336 HydrophobicContact CD1-CG 4.18Å; L332-Q336 WeakPolarHBondContact O-CG 3.45Å; L332-Q336 PolarHBondContact O-N 3.16Å
333Y97.2Very high91.7Very high34 Ų3411.4 Ų11.413%0.1336%0.055CC..Hα-helixtrans-64.6-31.9-178.3-63-36000112.2F329 L330 Q336 S337 L352 K355 V356 L359F329-Y333 HydrophobicContact CB-CD2 4.38Å; F329-Y333 HydrophobicContact CB-CE2 4Å; F329-Y333 HydrophobicContact CD1-CE2 4.22Å; F329-Y333 AromaticContact CD1-CZ 3.96Å; F329-Y333 WeakPolarHBondContact O-CB 3.29Å; F329-Y333 WeakPolarHBondContact O-CD2 3.43Å; F329-Y333 VanDerWaalsContact O-CG 3.31Å; F329-Y333 PolarHBondContact O-N 2.9Å; L330-Y333 PolarHBondContact O-N 3.4Å; Y333-Q336 PolarHBondContact O-N 3.34Å; Y333-S337 VanDerWaalsContact O-CB 3.22Å; Y333-S337 WeakPolarHBondContact O-CB 3.3Å; Y333-S337 PolarHBondContact O-N 3.03Å; Y333-L352 HydrophobicContact CD1-CD2 4.13Å; Y333-K355 HydrophobicContact CD2-CB 4.26Å; Y333-V356 VanDerWaalsContact C-CG2 3.47Å; Y333-L359 HydrophobicContact CD2-CD1 3.75Å; Y333-L359 HydrophobicContact CE2-CD1 4.04Å
334L97.3Very high92.8Very high0 Ų011.8 Ų11.80%06%0.059CC..Hα-helixtrans-66.1-45.4175.2179.956.1000111.8L330 R331 L332 S337 L338 L353 V356 E569 L572 I573 L576L330-L334 WeakPolarHBondContact O-CB 3.23Å; L330-L334 PolarHBondContact O-N 3.19Å; R331-L334 PolarHBondContact O-N 2.87Å; L332-L334 VanDerWaalsContact C-N 3.25Å; L332-L334 PolarHBondContact O-N 3.36Å; L334-S337 PolarHBondContact O-N 3.18Å; L334-L338 WeakPolarHBondContact O-CB 3.36Å; L334-L338 PolarHBondContact O-N 2.79Å; L334-L353 HydrophobicContact CD1-CD1 4.4Å; L334-V356 HydrophobicContact CB-CG1 4.1Å; L334-V356 HydrophobicContact CB-CG2 3.92Å; L334-V356 HydrophobicContact CD1-CG1 4.24Å; L334-V356 VanDerWaalsContact N-CG2 3.26Å; L334-E569 HydrophobicContact CD2-CB 3.82Å; L334-E569 HydrophobicContact CD2-CG 3.88Å; L334-L572 HydrophobicContact CD1-CB 4.38Å; L334-L572 HydrophobicContact CD1-CD2 3.99Å; L334-L572 HydrophobicContact CD1-CG 3.93Å; L334-L572 HydrophobicContact CD2-CB 4.16Å; L334-L572 HydrophobicContact CD2-CD2 3.91Å; L334-L572 HydrophobicContact CD2-CG 4.3Å; L334-L572 HydrophobicContact CG-CD2 3.69Å; L334-L572 HydrophobicContact CG-CG 4.16Å; L334-I573 HydrophobicContact CD1-CG1 3.75Å; L334-I573 HydrophobicContact CD2-CG1 4.12Å; L334-L576 HydrophobicContact CD1-CD1 3.76Å
335L95.8Very high93.4Very high0 Ų015.4 Ų15.40%08%0.078CC..Hα-helixtrans-67.8-37.5175.5-70.9172.6000112.1L275 V278 W279 R282 L297 R331 L332 L338 L339L275-L335 HydrophobicContact CD1-CD1 3.72Å; L275-L335 HydrophobicContact CG-CD1 4.48Å; V278-L335 HydrophobicContact CB-CD1 4.15Å; V278-L335 HydrophobicContact CG1-CB 4.43Å; V278-L335 HydrophobicContact CG1-CD1 3.95Å; V278-L335 HydrophobicContact CG1-CD2 4.33Å; V278-L335 HydrophobicContact CG1-CG 4.48Å; W279-L335 HydrophobicContact CE3-CD1 4.1Å; W279-L335 HydrophobicContact CE3-CD2 3.91Å; W279-L335 HydrophobicContact CE3-CG 4.13Å; W279-L335 HydrophobicContact CZ3-CD2 4.35Å; R282-L335 HydrophobicContact CB-CD2 4.02Å; R282-L335 HydrophobicContact CG-CD2 4.34Å; L297-L335 HydrophobicContact CD1-CB 3.96Å; L297-L335 HydrophobicContact CD2-CB 3.81Å; L297-L335 HydrophobicContact CD2-CD1 4.02Å; R331-L335 HydrophobicContact CG-CD1 4.21Å; R331-L335 WeakPolarHBondContact O-CG 3.32Å; R331-L335 PolarHBondContact O-N 2.95Å; L332-L335 PolarHBondContact O-N 3.49Å; L335-L338 PolarHBondContact O-N 3.09Å; L335-L339 WeakPolarHBondContact O-CB 3.42Å; L335-L339 PolarHBondContact O-N 3.09Å
336Q95.4Very high93.6Very high22 Ų2216.5 Ų16.510%0.1038%0.084CC..Hα-helixtrans-66.7-37.6173.9-70.6-179.7-18.900112.3L297 E301 L332 Y333 L339 S340 L352L297-Q336 HydrophobicContact CB-CG 4.21Å; L297-Q336 HydrophobicContact CD1-CG 3.97Å; E301-Q336 PolarHBondContact OE2-NE2 3.1Å; L332-Q336 HydrophobicContact CD1-CG 4.18Å; L332-Q336 WeakPolarHBondContact O-CG 3.45Å; L332-Q336 PolarHBondContact O-N 3.16Å; Y333-Q336 PolarHBondContact O-N 3.34Å; Q336-L339 PolarHBondContact O-N 2.66Å; Q336-S340 WeakPolarHBondContact O-CB 3.5Å; Q336-S340 PolarHBondContact O-N 3.4Å; Q336-S340 PolarHBondContact O-OG 2.68Å; Q336-L352 HydrophobicContact CB-CD1 3.76Å
337S95.9Very high93.9Very high0 Ų025.2 Ų25.20%012%0.116CC..Hα-helixtrans-62.9-47.3173.81780000110.6Y333 L334 L339 S340 F341 A349Y333-S337 VanDerWaalsContact O-CB 3.22Å; Y333-S337 WeakPolarHBondContact O-CB 3.3Å; Y333-S337 PolarHBondContact O-N 3.03Å; L334-S337 PolarHBondContact O-N 3.18Å; S337-L339 PolarHBondContact O-N 2.99Å; S337-S340 PolarHBondContact O-N 3.5Å; S337-F341 WeakPolarHBondContact O-CB 3.46Å; S337-F341 PolarHBondContact O-N 3.47Å; S337-A349 WeakPolarHBondContact O-CB 3.47Å; S337-A349 PolarHBondContact OG-O 2.95Å
338L94.4Very high94.1Very high4 Ų429.3 Ų29.32%0.02114%0.135CC..Hα-helixtrans-57.2-47.8174.3177.956.8000111.6M1 R282 L287 L334 L335 F341 L342 L572 L576M1-L338 HydrophobicContact SD-CD1 3.7Å; R282-L338 HydrophobicContact CB-CD2 4.36Å; R282-L338 HydrophobicContact CG-CD2 3.77Å; L287-L338 HydrophobicContact CD2-CB 4.34Å; L287-L338 HydrophobicContact CD2-CD2 3.51Å; L287-L338 HydrophobicContact CD2-CG 3.6Å; L334-L338 WeakPolarHBondContact O-CB 3.36Å; L334-L338 PolarHBondContact O-N 2.79Å; L335-L338 PolarHBondContact O-N 3.09Å; L338-F341 WeakPolarHBondContact O-CB 3.34Å; L338-F341 PolarHBondContact O-N 3.27Å; L338-L342 HydrophobicContact CD1-CD1 4.32Å; L338-L342 HydrophobicContact CD1-CG 4.26Å; L338-L342 HydrophobicContact CG-CD1 4.36Å; L338-L342 WeakPolarHBondContact O-CG 3.18Å; L338-L342 PolarHBondContact O-N 3.22Å; L338-L572 HydrophobicContact CD2-CD1 4.21Å; L338-L572 HydrophobicContact CD2-CD2 4.12Å; L338-L576 HydrophobicContact CB-CD1 4.07Å; L338-L576 HydrophobicContact CB-CD2 4.46Å; L338-L576 HydrophobicContact CD1-CD2 3.82Å; L338-L576 HydrophobicContact CD1-CG 4.47Å
339L92.7Very high94.2Very high21 Ų2129 Ų2911%0.1113%0.134CC..Hα-helixtrans-63.2-45.6179.1-175.8144.2000111.6R294 L297 L335 Q336 S337 F341 L342 E343R294-L339 HydrophobicContact CB-CD1 3.91Å; R294-L339 HydrophobicContact CB-CD2 4.49Å; R294-L339 HydrophobicContact CG-CD2 4.39Å; L297-L339 HydrophobicContact CD1-CD1 4.28Å; L335-L339 WeakPolarHBondContact O-CB 3.42Å; L335-L339 PolarHBondContact O-N 3.09Å; Q336-L339 PolarHBondContact O-N 2.66Å; S337-L339 PolarHBondContact O-N 2.99Å; L339-F341 VanDerWaalsContact C-N 3.26Å; L339-F341 PolarHBondContact O-N 2.94Å; L339-L342 PolarHBondContact O-N 3.32Å; L339-L342 VanDerWaalsContact O-N 3.14Å; L339-E343 VanDerWaalsContact CD2-CD 3.43Å; L339-E343 HydrophobicContact CD2-CG 4.4Å; L339-E343 WeakPolarHBondContact CD2-OE1 3.32Å; L339-E343 VanDerWaalsContact O-CG 3.3Å; L339-E343 WeakPolarHBondContact O-CG 3.1Å; L339-E343 PolarHBondContact O-N 3.14Å
340S93.1Very high94.4Very high12 Ų1233.8 Ų33.88%0.08415%0.152CC..Hα-helixtrans-58.8-39.5175.6-60.80000111.9Q336 S337 E343 G344 N345Q336-S340 WeakPolarHBondContact O-CB 3.5Å; Q336-S340 PolarHBondContact O-N 3.4Å; Q336-S340 PolarHBondContact O-OG 2.68Å; S337-S340 PolarHBondContact O-N 3.5Å; S340-E343 PolarHBondContact O-N 3.34Å; S340-G344 PolarHBondContact O-N 3.04Å; S340-N345 WeakPolarHBondContact O-CA 3.21Å; S340-N345 PolarHBondContact O-N 2.85Å
341F93.4Very high94.5Very high2 Ų237.2 Ų37.21%0.00917%0.172CC..Hα-helixtrans-64.7-48.2174.2176-101.9000111.2M1 N5 S337 L338 L339 E343 G344 A349 L576 Y579 L580M1-F341 HydrophobicContact CB-CE1 4.24Å; N5-F341 HydrophobicContact CB-CD1 4.21Å; N5-F341 HydrophobicContact CB-CD2 4.37Å; N5-F341 HydrophobicContact CB-CE1 3.69Å; N5-F341 HydrophobicContact CB-CE2 3.9Å; N5-F341 HydrophobicContact CB-CZ 3.51Å; N5-F341 WeakPolarHBondContact CB-O 3.39Å; N5-F341 VanDerWaalsContact CG-CE2 3.44Å; N5-F341 WeakPolarHBondContact ND2-CD2 3.25Å; N5-F341 WeakPolarHBondContact ND2-CE2 3.47Å; N5-F341 PolarHBondContact ND2-O 3.26Å; S337-F341 WeakPolarHBondContact O-CB 3.46Å; S337-F341 PolarHBondContact O-N 3.47Å; L338-F341 WeakPolarHBondContact O-CB 3.34Å; L338-F341 PolarHBondContact O-N 3.27Å; L339-F341 VanDerWaalsContact C-N 3.26Å; L339-F341 PolarHBondContact O-N 2.94Å; F341-E343 PolarHBondContact O-N 3.46Å; F341-E343 VanDerWaalsContact O-N 3.16Å; F341-G344 PolarHBondContact O-N 2.91Å; F341-A349 HydrophobicContact CB-CB 3.93Å; F341-L576 HydrophobicContact CB-CD2 4.15Å; F341-L576 HydrophobicContact CD1-CD2 4.11Å; F341-L576 HydrophobicContact CG-CD2 4.16Å; F341-Y579 HydrophobicContact CE1-CG 4.45Å; F341-Y579 HydrophobicContact CZ-CG 4.14Å; F341-L580 HydrophobicContact CD2-CD2 3.57Å; F341-L580 HydrophobicContact CD2-CG 4.07Å; F341-L580 HydrophobicContact CE2-CD2 4.06Å; F341-L580 HydrophobicContact CE2-CG 4.41Å
342L90.5Very high94.5Very high20 Ų2036.6 Ų36.611%0.10517%0.171CC..Hα-helixtrans-61.3-26.4178.6-66.9178.5000113.2M1 Q4 A8 L287 L338 L339 G344M1-L342 HydrophobicContact CB-CD2 4.29Å; M1-L342 HydrophobicContact CG-CD2 4.14Å; Q4-L342 HydrophobicContact CB-CD2 4.23Å; A8-L342 WeakPolarHBondContact CB-O 3.43Å; L287-L342 HydrophobicContact CB-CD1 4.18Å; L287-L342 HydrophobicContact CD2-CD1 3.97Å; L338-L342 HydrophobicContact CD1-CD1 4.32Å; L338-L342 HydrophobicContact CD1-CG 4.26Å; L338-L342 HydrophobicContact CG-CD1 4.36Å; L338-L342 WeakPolarHBondContact O-CG 3.18Å; L338-L342 PolarHBondContact O-N 3.22Å; L339-L342 PolarHBondContact O-N 3.32Å; L339-L342 VanDerWaalsContact O-N 3.14Å; L342-G344 VanDerWaalsContact C-N 3.28Å
343E90.1Very high94.6Very high65 Ų6536.9 Ų36.930%0.30417%0.172SC..THydrogen-bonded Turntrans-83.1-0.8176-68.4176.6170.400114.3A8 N12 R294 L339 S340 F341 N345A8-E343 VanDerWaalsContact CB-C 3.46Å; N12-E343 PolarHBondContact ND2-O 2.88Å; R294-E343 IonicContact CZ-OE1 2.73Å; R294-E343 VanDerWaalsContact CZ-OE1 3.27Å; R294-E343 IonicContact CZ-OE2 3.52Å; R294-E343 IonicContact NE-OE1 2.71Å; R294-E343 PolarHBondContact NE-OE1 3.19Å; R294-E343 IonicContact NH2-OE1 3.17Å; R294-E343 PolarHBondContact NH2-OE1 3.06Å; R294-E343 IonicContact NH2-OE2 3.59Å; R294-E343 PolarHBondContact NH2-OE2 3.27Å; L339-E343 VanDerWaalsContact CD2-CD 3.43Å; L339-E343 HydrophobicContact CD2-CG 4.4Å; L339-E343 WeakPolarHBondContact CD2-OE1 3.32Å; L339-E343 VanDerWaalsContact O-CG 3.3Å; L339-E343 WeakPolarHBondContact O-CG 3.1Å; L339-E343 PolarHBondContact O-N 3.14Å; S340-E343 PolarHBondContact O-N 3.34Å; F341-E343 PolarHBondContact O-N 3.46Å; F341-E343 VanDerWaalsContact O-N 3.16Å; E343-N345 VanDerWaalsContact C-N 3.34Å
344G91.1Very high94.6Very high13 Ų1337.8 Ų37.813%0.13419%0.187CC..THydrogen-bonded Turntrans828.9-179.900000114.4K9 S340 F341 L342 D346K9-G344 WeakPolarHBondContact CG-O 3.46Å; S340-G344 PolarHBondContact O-N 3.04Å; F341-G344 PolarHBondContact O-N 2.91Å; L342-G344 VanDerWaalsContact C-N 3.28Å; G344-D346 PolarHBondContact O-N 3.28Å
345N92.7Very high94.5Very high77 Ų7742.6 Ų42.641%0.41221%0.207SC..  trans-95.272.6177.7-169.2-9.6000111.4S340 E343 R347 Q348 A349S340-N345 WeakPolarHBondContact O-CA 3.21Å; S340-N345 PolarHBondContact O-N 2.85Å; E343-N345 VanDerWaalsContact C-N 3.34Å; N345-R347 PolarHBondContact O-N 3.26Å; N345-Q348 HydrophobicContact CB-CB 4.36Å; N345-Q348 WeakPolarHBondContact ND2-CB 3.44Å; N345-Q348 PolarHBondContact O-N 2.73Å; N345-Q348 WeakPolarHBondContact OD1-CB 3.36Å; N345-Q348 PolarHBondContact OD1-N 2.83Å; N345-Q348 VanDerWaalsContact OD1-N 3.14Å; N345-A349 WeakPolarHBondContact O-CB 3.47Å; N345-A349 PolarHBondContact O-N 2.84Å
346D93.3Very high94.6Very high23 Ų2342.6 Ų42.612%0.12321%0.207CC..Hα-helixtrans-60.9-30.7-178.7-66.87.4000113.1N5 K9 G344 A349 R350 L580N5-D346 PolarHBondContact ND2-OD1 3.24Å; K9-D346 WeakPolarHBondContact CE-OD1 3.09Å; K9-D346 WeakPolarHBondContact CE-OD2 3.2Å; K9-D346 IonicContact NZ-OD1 3.27Å; K9-D346 PolarHBondContact NZ-OD1 2.98Å; K9-D346 IonicContact NZ-OD2 3.41Å; K9-D346 PolarHBondContact NZ-OD2 3.34Å; G344-D346 PolarHBondContact O-N 3.28Å; D346-A349 PolarHBondContact O-N 3.09Å; D346-R350 WeakPolarHBondContact O-CB 3.46Å; D346-R350 WeakPolarHBondContact O-CG 3.18Å; D346-R350 PolarHBondContact O-N 3.28Å; D346-R350 IonicContact OD2-NH2 3.87Å; D346-L580 HydrophobicContact CB-CD2 3.89Å
347R94.3Very high94.6Very high204 Ų20445.1 Ų45.177%0.7722%0.219SC*.Hα-helixtrans-63.7-51.6179-178.6-179.9174.9178.8-1110.2N345 A349 R350 V351N345-R347 PolarHBondContact O-N 3.26Å; R347-A349 VanDerWaalsContact C-N 3.33Å; R347-R350 PolarHBondContact O-N 2.87Å; R347-V351 WeakPolarHBondContact O-CG2 3.35Å; R347-V351 PolarHBondContact O-N 3.22Å; R347-V351 VanDerWaalsContact O-N 3.1Å
348Q95.1Very high94.5Very high85 Ų8549.6 Ų49.640%0.39724%0.243SC..Hα-helixtrans-64.3-40.6177.5-172.266.618.200111.2N345 R350 V351 L352N345-Q348 HydrophobicContact CB-CB 4.36Å; N345-Q348 WeakPolarHBondContact ND2-CB 3.44Å; N345-Q348 PolarHBondContact O-N 2.73Å; N345-Q348 WeakPolarHBondContact OD1-CB 3.36Å; N345-Q348 PolarHBondContact OD1-N 2.83Å; N345-Q348 VanDerWaalsContact OD1-N 3.14Å; Q348-R350 VanDerWaalsContact C-N 3.34Å; Q348-R350 PolarHBondContact O-N 2.83Å; Q348-V351 PolarHBondContact O-N 2.6Å; Q348-L352 HydrophobicContact CG-CD1 4.03Å; Q348-L352 WeakPolarHBondContact O-CG 3.23Å; Q348-L352 PolarHBondContact O-N 3.37Å
349A95.8Very high94.4Very high0 Ų049.9 Ų49.90%025%0.245CC..Hα-helixtrans-57.5-44.7176.500000112.2S337 F341 N345 D346 R347 L352 L353 L580S337-A349 WeakPolarHBondContact O-CB 3.47Å; S337-A349 PolarHBondContact OG-O 2.95Å; F341-A349 HydrophobicContact CB-CB 3.93Å; N345-A349 WeakPolarHBondContact O-CB 3.47Å; N345-A349 PolarHBondContact O-N 2.84Å; D346-A349 PolarHBondContact O-N 3.09Å; R347-A349 VanDerWaalsContact C-N 3.33Å; A349-L352 PolarHBondContact O-N 3.32Å; A349-L353 VanDerWaalsContact O-CB 3.23Å; A349-L353 WeakPolarHBondContact O-CB 3.49Å; A349-L353 PolarHBondContact O-N 3.24Å; A349-L580 HydrophobicContact CB-CD1 4.23Å; A349-L580 HydrophobicContact CB-CD2 4.06Å
350R97Very high94.5Very high105 Ų10551.9 Ų51.940%0.39625%0.251SS..Hα-helixtrans-64.8-42.5175.8-73.6-175.1-165.295.92.3112.7D346 R347 Q348 L352 L353 A354 L580D346-R350 WeakPolarHBondContact O-CB 3.46Å; D346-R350 WeakPolarHBondContact O-CG 3.18Å; D346-R350 PolarHBondContact O-N 3.28Å; D346-R350 IonicContact OD2-NH2 3.87Å; R347-R350 PolarHBondContact O-N 2.87Å; Q348-R350 VanDerWaalsContact C-N 3.34Å; Q348-R350 PolarHBondContact O-N 2.83Å; R350-L352 VanDerWaalsContact C-N 3.34Å; R350-L352 PolarHBondContact O-N 3.05Å; R350-L353 PolarHBondContact O-N 3.09Å; R350-A354 WeakPolarHBondContact O-CB 3.4Å; R350-A354 PolarHBondContact O-N 2.97Å; R350-L580 HydrophobicContact CG-CB 4.35Å; R350-L580 HydrophobicContact CG-CD1 4.04Å; R350-L580 HydrophobicContact CG-CD2 4.15Å; R350-L580 HydrophobicContact CG-CG 4.43Å; R350-L580 PolarHBondContact NH2-O 3.01Å
351V97.3Very high94.5Very high72 Ų7254.1 Ų54.144%0.43628%0.277SS..Hα-helixtrans-60.7-45.5177.6170.50000110.9R347 Q348 K355R347-V351 WeakPolarHBondContact O-CG2 3.35Å; R347-V351 PolarHBondContact O-N 3.22Å; R347-V351 VanDerWaalsContact O-N 3.1Å; Q348-V351 PolarHBondContact O-N 2.6Å; V351-K355 PolarHBondContact O-N 3.38Å
352L96.9Very high94.2Very high9 Ų959.6 Ų59.65%0.04730%0.297CS..Hα-helixtrans-68.2-40.1176.9-70.6168.1000111.7Y333 Q336 Q348 A349 R350 A354 K355 V356Y333-L352 HydrophobicContact CD1-CD2 4.13Å; Q336-L352 HydrophobicContact CB-CD1 3.76Å; Q348-L352 HydrophobicContact CG-CD1 4.03Å; Q348-L352 WeakPolarHBondContact O-CG 3.23Å; Q348-L352 PolarHBondContact O-N 3.37Å; A349-L352 PolarHBondContact O-N 3.32Å; R350-L352 VanDerWaalsContact C-N 3.34Å; R350-L352 PolarHBondContact O-N 3.05Å; L352-A354 VanDerWaalsContact C-N 3.33Å; L352-A354 PolarHBondContact O-N 3.34Å; L352-K355 WeakPolarHBondContact O-CB 3.31Å; L352-K355 PolarHBondContact O-N 2.94Å; L352-V356 WeakPolarHBondContact O-CG2 3.14Å; L352-V356 PolarHBondContact O-N 2.88Å
353L97.3Very high94.3Very high7 Ų758.8 Ų58.84%0.03729%0.293CS..Hα-helixtrans-63.7-38.9178.4-170.259.3000111.7L334 A349 R350 K355 V356 E357 I573 L576 K577 L580L334-L353 HydrophobicContact CD1-CD1 4.4Å; A349-L353 VanDerWaalsContact O-CB 3.23Å; A349-L353 WeakPolarHBondContact O-CB 3.49Å; A349-L353 PolarHBondContact O-N 3.24Å; R350-L353 PolarHBondContact O-N 3.09Å; L353-K355 VanDerWaalsContact C-N 3.3Å; L353-K355 PolarHBondContact O-N 3.24Å; L353-V356 HydrophobicContact CD1-CB 4.44Å; L353-V356 CarbonylContact O-C 3.54Å; L353-V356 WeakPolarHBondContact O-CA 3.04Å; L353-V356 WeakPolarHBondContact O-CB 3.46Å; L353-V356 PolarHBondContact O-N 3.12Å; L353-E357 WeakPolarHBondContact O-CG 3.39Å; L353-E357 PolarHBondContact O-N 3.21Å; L353-I573 HydrophobicContact CD1-CG1 4.44Å; L353-I573 HydrophobicContact CD1-CG2 4.27Å; L353-L576 HydrophobicContact CD2-CB 4.17Å; L353-K577 HydrophobicContact CD2-CG 3.82Å; L353-L580 HydrophobicContact CD2-CD1 3.64Å
354A96.9Very high94.4Very high52 Ų5258.5 Ų58.543%0.4330%0.296SS..Hα-helixtrans-60.5-38.9174.700000112.2R350 L352 V356 E357 D358R350-A354 WeakPolarHBondContact O-CB 3.4Å; R350-A354 PolarHBondContact O-N 2.97Å; L352-A354 VanDerWaalsContact C-N 3.33Å; L352-A354 PolarHBondContact O-N 3.34Å; A354-V356 VanDerWaalsContact C-N 3.34Å; A354-E357 WeakPolarHBondContact CA-OE2 3.44Å; A354-E357 PolarHBondContact O-N 3.17Å; A354-D358 PolarHBondContact O-N 3.42Å; A354-D358 VanDerWaalsContact O-N 3.09Å
355K95.8Very high94.2Very high101 Ų10159.3 Ų59.344%0.43930%0.299SS..Hα-helixtrans-64.1-40.1172.5-65.4-178.1178.1-172.90111.9Y333 V351 L352 L353 E357 D358 L359Y333-K355 HydrophobicContact CD2-CB 4.26Å; V351-K355 PolarHBondContact O-N 3.38Å; L352-K355 WeakPolarHBondContact O-CB 3.31Å; L352-K355 PolarHBondContact O-N 2.94Å; L353-K355 VanDerWaalsContact C-N 3.3Å; L353-K355 PolarHBondContact O-N 3.24Å; K355-E357 VanDerWaalsContact C-N 3.34Å; K355-D358 PolarHBondContact O-N 2.94Å; K355-L359 WeakPolarHBondContact O-CG 3.47Å; K355-L359 PolarHBondContact O-N 3.41Å
356V97Very high94.2Very high0 Ų059.2 Ų59.20%030%0.298CS..Hα-helixtrans-63.5-42176.8173.90000110.8L330 Y333 L334 L352 L353 A354 L359 Y360 I573L330-V356 HydrophobicContact CD2-CG1 4.29Å; L330-V356 HydrophobicContact CG-CG1 4.17Å; Y333-V356 VanDerWaalsContact C-CG2 3.47Å; L334-V356 HydrophobicContact CB-CG1 4.1Å; L334-V356 HydrophobicContact CB-CG2 3.92Å; L334-V356 HydrophobicContact CD1-CG1 4.24Å; L334-V356 VanDerWaalsContact N-CG2 3.26Å; L352-V356 WeakPolarHBondContact O-CG2 3.14Å; L352-V356 PolarHBondContact O-N 2.88Å; L353-V356 HydrophobicContact CD1-CB 4.44Å; L353-V356 CarbonylContact O-C 3.54Å; L353-V356 WeakPolarHBondContact O-CA 3.04Å; L353-V356 WeakPolarHBondContact O-CB 3.46Å; L353-V356 PolarHBondContact O-N 3.12Å; A354-V356 VanDerWaalsContact C-N 3.34Å; V356-L359 PolarHBondContact O-N 2.97Å; V356-Y360 WeakPolarHBondContact O-CB 3.36Å; V356-Y360 PolarHBondContact O-N 3.49Å; V356-I573 HydrophobicContact CG1-CD1 3.56Å; V356-I573 HydrophobicContact CG1-CG1 3.68Å
357E96.3Very high94.2Very high76 Ų7662.1 Ų62.136%0.35532%0.32SS..Hα-helixtrans-64.8-42.6178.6-69.9173.89800112.4L353 A354 K355 Y360 G361 I573 K577L353-E357 WeakPolarHBondContact O-CG 3.39Å; L353-E357 PolarHBondContact O-N 3.21Å; A354-E357 WeakPolarHBondContact CA-OE2 3.44Å; A354-E357 PolarHBondContact O-N 3.17Å; K355-E357 VanDerWaalsContact C-N 3.34Å; E357-Y360 PolarHBondContact O-N 3.31Å; E357-G361 PolarHBondContact O-N 3.07Å; E357-I573 HydrophobicContact CG-CG2 4.46Å; E357-K577 WeakPolarHBondContact OE1-CE 3.49Å; E357-K577 IonicContact OE1-NZ 2.64Å; E357-K577 PolarHBondContact OE1-NZ 3.45Å
358D93.8Very high94.2Very high94 Ų9459.1 Ų59.150%0.50332%0.315SS..Hα-helixtrans-58.7-50.5173.7176.879.7000111.3A354 K355 Y360 G361 R362A354-D358 PolarHBondContact O-N 3.42Å; A354-D358 VanDerWaalsContact O-N 3.09Å; K355-D358 PolarHBondContact O-N 2.94Å; D358-Y360 VanDerWaalsContact C-N 3.34Å; D358-Y360 PolarHBondContact O-N 2.94Å; D358-G361 PolarHBondContact O-N 2.89Å; D358-R362 PolarHBondContact O-N 3.33Å; D358-R362 IonicContact OD2-CZ 3.09Å; D358-R362 IonicContact OD2-NE 3.04Å; D358-R362 PolarHBondContact OD2-NE 2.87Å; D358-R362 IonicContact OD2-NH2 2.78Å; D358-R362 PolarHBondContact OD2-NH2 3.35Å
359L93.2Very high94.2Very high9 Ų958.6 Ų58.65%0.04731%0.311CS..Hα-helixtrans-60.8-43.8176.5-76.3164.8000111.4E326 F329 L330 Y333 K355 V356 G361 R362 L363E326-L359 HydrophobicContact CB-CD2 4.05Å; E326-L359 HydrophobicContact CG-CD2 4.24Å; F329-L359 HydrophobicContact CB-CD1 4.3Å; L330-L359 HydrophobicContact CB-CB 4.11Å; L330-L359 HydrophobicContact CB-CD1 4.27Å; L330-L359 HydrophobicContact CD1-CB 4.07Å; L330-L359 HydrophobicContact CG-CB 4.27Å; Y333-L359 HydrophobicContact CD2-CD1 3.75Å; Y333-L359 HydrophobicContact CE2-CD1 4.04Å; K355-L359 WeakPolarHBondContact O-CG 3.47Å; K355-L359 PolarHBondContact O-N 3.41Å; V356-L359 PolarHBondContact O-N 2.97Å; L359-G361 PolarHBondContact O-N 3.29Å; L359-R362 PolarHBondContact O-N 2.69Å; L359-R362 VanDerWaalsContact O-N 3.15Å; L359-L363 HydrophobicContact CB-CD1 4.18Å; L359-L363 HydrophobicContact CD2-CD1 4.4Å; L359-L363 VanDerWaalsContact O-CB 3.28Å; L359-L363 WeakPolarHBondContact O-CB 3.48Å; L359-L363 WeakPolarHBondContact O-CD1 3.17Å; L359-L363 WeakPolarHBondContact O-CG 3.41Å; L359-L363 PolarHBondContact O-N 3.17Å
360Y94.7Very high94.3Very high63 Ų6359.3 Ų59.325%0.24731%0.314CS..Hα-helixtrans-61.1-45-179.4-175.7-94.7000111.2L330 V356 E357 D358 R362 L363 V364 L566 S570 I573L330-Y360 HydrophobicContact CD1-CD2 4.21Å; V356-Y360 WeakPolarHBondContact O-CB 3.36Å; V356-Y360 PolarHBondContact O-N 3.49Å; E357-Y360 PolarHBondContact O-N 3.31Å; D358-Y360 VanDerWaalsContact C-N 3.34Å; D358-Y360 PolarHBondContact O-N 2.94Å; Y360-R362 PolarHBondContact O-N 2.94Å; Y360-L363 PolarHBondContact O-N 2.95Å; Y360-V364 HydrophobicContact CD1-CG2 3.87Å; Y360-V364 HydrophobicContact CD2-CG2 3.93Å; Y360-V364 HydrophobicContact CE1-CG2 3.53Å; Y360-V364 HydrophobicContact CE2-CG2 3.58Å; Y360-V364 HydrophobicContact CG-CG2 4.05Å; Y360-V364 VanDerWaalsContact O-CG2 3.27Å; Y360-V364 WeakPolarHBondContact O-CG2 3.33Å; Y360-V364 PolarHBondContact O-N 2.93Å; Y360-L566 HydrophobicContact CD2-CB 4.37Å; Y360-L566 HydrophobicContact CD2-CD1 4.31Å; Y360-L566 HydrophobicContact CE2-CB 3.86Å; Y360-L566 HydrophobicContact CE2-CD1 4.44Å; Y360-S570 VanDerWaalsContact OH-CB 3.24Å; Y360-S570 WeakPolarHBondContact OH-CB 3.46Å; Y360-S570 PolarHBondContact OH-OG 2.95Å; Y360-S570 VanDerWaalsContact OH-OG 3.06Å; Y360-I573 HydrophobicContact CD2-CD1 3.75Å; Y360-I573 HydrophobicContact CE2-CD1 4.33Å; Y360-I573 HydrophobicContact CG-CD1 4.02Å
361G91.4Very high94.2Very high60 Ų6058.4 Ų58.462%0.61932%0.318SS*.Hα-helixtrans-60.4-29.6176.800000113.9E357 D358 L359E357-G361 PolarHBondContact O-N 3.07Å; D358-G361 PolarHBondContact O-N 2.89Å; L359-G361 PolarHBondContact O-N 3.29Å
362R88.9Confident94.2Very high116 Ų11659.6 Ų59.644%0.43832%0.318SS..Hα-helixtrans-86-29.9177.3-66.3-174.2-70.9124.5-10.8113.9E326 D358 L359 Y360E326-R362 VanDerWaalsContact CD-NH1 3.27Å; E326-R362 IonicContact OE1-CZ 3.17Å; E326-R362 IonicContact OE1-NH1 3.04Å; E326-R362 PolarHBondContact OE1-NH1 3.1Å; E326-R362 IonicContact OE1-NH2 2.89Å; E326-R362 IonicContact OE2-NH1 3.41Å; E326-R362 PolarHBondContact OE2-NH1 2.63Å; E326-R362 VanDerWaalsContact OE2-NH1 3.09Å; D358-R362 PolarHBondContact O-N 3.33Å; D358-R362 IonicContact OD2-CZ 3.09Å; D358-R362 IonicContact OD2-NE 3.04Å; D358-R362 PolarHBondContact OD2-NE 2.87Å; D358-R362 IonicContact OD2-NH2 2.78Å; D358-R362 PolarHBondContact OD2-NH2 3.35Å; L359-R362 PolarHBondContact O-N 2.69Å; L359-R362 VanDerWaalsContact O-N 3.15Å; Y360-R362 PolarHBondContact O-N 2.94Å
363L91.5Very high94.2Very high3 Ų359.1 Ų59.12%0.01632%0.316CS..Hα-helixtrans-97.7-17.1-170.3-67.3171.7000114.7G323 E326 V327 L330 L359 Y360 P365 R388 L566G323-L363 WeakPolarHBondContact O-CD2 3.47Å; E326-L363 HydrophobicContact CB-CD1 3.96Å; E326-L363 HydrophobicContact CB-CD2 3.89Å; E326-L363 HydrophobicContact CB-CG 4.41Å; V327-L363 HydrophobicContact CG2-CD1 3.99Å; V327-L363 HydrophobicContact CG2-CD2 4.07Å; V327-L363 HydrophobicContact CG2-CG 4.45Å; L330-L363 HydrophobicContact CB-CD1 4.14Å; L330-L363 HydrophobicContact CD1-CD1 3.8Å; L359-L363 HydrophobicContact CB-CD1 4.18Å; L359-L363 HydrophobicContact CD2-CD1 4.4Å; L359-L363 VanDerWaalsContact O-CB 3.28Å; L359-L363 WeakPolarHBondContact O-CB 3.48Å; L359-L363 WeakPolarHBondContact O-CD1 3.17Å; L359-L363 WeakPolarHBondContact O-CG 3.41Å; L359-L363 PolarHBondContact O-N 3.17Å; Y360-L363 PolarHBondContact O-N 2.95Å; L363-P365 VanDerWaalsContact O-CD 3.31Å; L363-P365 WeakPolarHBondContact O-CD 3.41Å; L363-R388 HydrophobicContact CD2-CG 4.23Å; L363-R388 PolarHBondContact O-NE 2.83Å; L363-R388 PolarHBondContact O-NH2 3.09Å; L363-L566 HydrophobicContact CB-CD1 3.96Å
364V91.7Very high94.2Very high60 Ų6062.1 Ų62.136%0.36433%0.332SS..SBendtrans-69.3119171.5170.20000108.6Y360 L566Y360-V364 HydrophobicContact CD1-CG2 3.87Å; Y360-V364 HydrophobicContact CD2-CG2 3.93Å; Y360-V364 HydrophobicContact CE1-CG2 3.53Å; Y360-V364 HydrophobicContact CE2-CG2 3.58Å; Y360-V364 HydrophobicContact CG-CG2 4.05Å; Y360-V364 VanDerWaalsContact O-CG2 3.27Å; Y360-V364 WeakPolarHBondContact O-CG2 3.33Å; Y360-V364 PolarHBondContact O-N 2.93Å; V364-L566 HydrophobicContact CG2-CD1 4.13Å
365P87.5Confident94.2Very high30 Ų3065.8 Ų65.820%0.19535%0.348CS..PPolyproline II helixtrans-67.1141.9176.4-15.129.3000110.8L363 M370 R384 L387L363-P365 VanDerWaalsContact O-CD 3.31Å; L363-P365 WeakPolarHBondContact O-CD 3.41Å; P365-M370 HydrophobicContact CB-CG 3.57Å; P365-M370 HydrophobicContact CB-SD 3.7Å; P365-M370 HydrophobicContact CG-SD 4.27Å; P365-R384 HydrophobicContact CG-CB 4.38Å; P365-R384 HydrophobicContact CG-CG 3.64Å; P365-L387 HydrophobicContact CB-CD1 4.21Å
366D92.4Very high94.1Very high75 Ų7566.1 Ų66.140%0.40135%0.354SS..PPolyproline II helixtrans-69.1128.2169.8179.3-83.4000110.3E368 K369 M370D366-E368 PolarHBondContact O-N 3.34Å; D366-E368 WeakPolarHBondContact OD1-CB 3.48Å; D366-E368 PolarHBondContact OD1-N 3.29Å; D366-K369 HydrophobicContact CB-CB 4.12Å; D366-K369 HydrophobicContact CB-CD 4Å; D366-K369 HydrophobicContact CB-CG 4.11Å; D366-K369 PolarHBondContact O-N 3.36Å; D366-K369 WeakPolarHBondContact OD1-CG 3.49Å; D366-K369 PolarHBondContact OD1-N 2.89Å; D366-M370 WeakPolarHBondContact O-CB 3.47Å; D366-M370 VanDerWaalsContact O-CG 3.26Å; D366-M370 WeakPolarHBondContact O-CG 3.45Å; D366-M370 PolarHBondContact O-N 3.46Å
367S93.1Very high94.1Very high83 Ų8368.4 Ų68.458%0.5838%0.378SS*.Hα-helixtrans-63.1-39.8-174.9-166.50000112.5M370 D371S367-M370 WeakPolarHBondContact O-CB 3.31Å; S367-M370 PolarHBondContact O-N 2.9Å; S367-D371 VanDerWaalsContact O-CG 3.27Å; S367-D371 PolarHBondContact O-N 3.25Å
368E95.4Very high94Very high141 Ų14165.6 Ų65.666%0.65937%0.365SS*.Hα-helixtrans-69.4-39.3-178.5-60.8-176.8174.700110.9D366 D371 Q372D366-E368 PolarHBondContact O-N 3.34Å; D366-E368 WeakPolarHBondContact OD1-CB 3.48Å; D366-E368 PolarHBondContact OD1-N 3.29Å; E368-D371 PolarHBondContact O-N 2.9Å; E368-Q372 VanDerWaalsContact O-CG 3.28Å; E368-Q372 WeakPolarHBondContact O-CG 3.29Å; E368-Q372 PolarHBondContact O-N 3.28Å; E368-Q372 PolarHBondContact O-NE2 3.47Å
369K95.5Very high94.1Very high74 Ų7463.3 Ų63.332%0.32236%0.356SS..Hα-helixtrans-68.4-36.7175.2-66.3-179.2-172.9172.50112.1D366 Q372 L373 L387 G392 L394D366-K369 HydrophobicContact CB-CB 4.12Å; D366-K369 HydrophobicContact CB-CD 4Å; D366-K369 HydrophobicContact CB-CG 4.11Å; D366-K369 PolarHBondContact O-N 3.36Å; D366-K369 WeakPolarHBondContact OD1-CG 3.49Å; D366-K369 PolarHBondContact OD1-N 2.89Å; K369-Q372 PolarHBondContact O-N 2.8Å; K369-L373 WeakPolarHBondContact O-CG 3.46Å; K369-L373 PolarHBondContact O-N 3Å; K369-L373 VanDerWaalsContact O-N 3.12Å; K369-L387 HydrophobicContact CB-CD1 4.03Å; K369-L387 HydrophobicContact CB-CD2 4.18Å; K369-L387 HydrophobicContact CD-CD2 4.43Å; K369-G392 VanDerWaalsContact CD-O 3.25Å; K369-G392 WeakPolarHBondContact CD-O 3.42Å; K369-G392 WeakPolarHBondContact CE-O 3.31Å; K369-G392 PolarHBondContact NZ-O 3.2Å; K369-L394 HydrophobicContact CB-CD1 3.94Å; K369-L394 HydrophobicContact CG-CD1 4.11Å
370M96.3Very high94.1Very high15 Ų1568.1 Ų68.17%0.07438%0.378CS..Hα-helixtrans-59.2-51.3172-76.2-71.7-60.600110.6P365 D366 S367 Q372 L373 L374 E380 A383 R384 L387P365-M370 HydrophobicContact CB-CG 3.57Å; P365-M370 HydrophobicContact CB-SD 3.7Å; P365-M370 HydrophobicContact CG-SD 4.27Å; D366-M370 WeakPolarHBondContact O-CB 3.47Å; D366-M370 VanDerWaalsContact O-CG 3.26Å; D366-M370 WeakPolarHBondContact O-CG 3.45Å; D366-M370 PolarHBondContact O-N 3.46Å; S367-M370 WeakPolarHBondContact O-CB 3.31Å; S367-M370 PolarHBondContact O-N 2.9Å; M370-Q372 VanDerWaalsContact C-N 3.3Å; M370-Q372 PolarHBondContact O-N 3.33Å; M370-L373 PolarHBondContact O-N 3.24Å; M370-L373 VanDerWaalsContact O-N 3.1Å; M370-L374 WeakPolarHBondContact O-CG 3.47Å; M370-L374 PolarHBondContact O-N 3.06Å; M370-E380 HydrophobicContact CE-CG 3.64Å; M370-E380 WeakPolarHBondContact CE-O 3.5Å; M370-A383 HydrophobicContact CE-CB 3.81Å; M370-A383 HydrophobicContact SD-CB 3.66Å; M370-R384 HydrophobicContact CE-CB 4.19Å; M370-R384 HydrophobicContact SD-CB 4.2Å; M370-L387 HydrophobicContact CG-CD1 3.89Å; M370-L387 HydrophobicContact SD-CD1 3.71Å
371D96.1Very high94Very high87 Ų8767.1 Ų67.147%0.46537%0.374SS..Hα-helixtrans-58.8-41.8179.9-69.7-24.6000112S367 E368 L373 L374 V375S367-D371 VanDerWaalsContact O-CG 3.27Å; S367-D371 PolarHBondContact O-N 3.25Å; E368-D371 PolarHBondContact O-N 2.9Å; D371-L373 PolarHBondContact O-N 3.45Å; D371-L374 WeakPolarHBondContact O-CB 3.3Å; D371-L374 PolarHBondContact O-N 2.93Å; D371-V375 WeakPolarHBondContact O-CG2 3.25Å; D371-V375 PolarHBondContact O-N 3.5Å
372Q96.7Very high94.1Very high96 Ų9666.1 Ų66.145%0.44935%0.354SS..Hα-helixtrans-61.5-41.8175.7-73.6170.85300112.6E368 K369 M370 V375 L376 L394E368-Q372 VanDerWaalsContact O-CG 3.28Å; E368-Q372 WeakPolarHBondContact O-CG 3.29Å; E368-Q372 PolarHBondContact O-N 3.28Å; E368-Q372 PolarHBondContact O-NE2 3.47Å; K369-Q372 PolarHBondContact O-N 2.8Å; M370-Q372 VanDerWaalsContact C-N 3.3Å; M370-Q372 PolarHBondContact O-N 3.33Å; Q372-V375 PolarHBondContact O-N 3.46Å; Q372-L376 WeakPolarHBondContact O-CG 3.28Å; Q372-L376 PolarHBondContact O-N 3.4Å; Q372-L394 HydrophobicContact CB-CD1 3.58Å; Q372-L394 HydrophobicContact CG-CD1 4.31Å; Q372-L394 VanDerWaalsContact OE1-CD1 3.26Å
373L96.9Very high94.4Very high0 Ų060.6 Ų60.60%033%0.333CS..Hα-helixtrans-68.7-35.7176.1-70.4175.2000112.2K369 M370 D371 L376 F378 A383 L387 L394 A397 A398 I401K369-L373 WeakPolarHBondContact O-CG 3.46Å; K369-L373 PolarHBondContact O-N 3Å; K369-L373 VanDerWaalsContact O-N 3.12Å; M370-L373 PolarHBondContact O-N 3.24Å; M370-L373 VanDerWaalsContact O-N 3.1Å; D371-L373 PolarHBondContact O-N 3.45Å; L373-L376 HydrophobicContact CD2-CD1 4.27Å; L373-L376 WeakPolarHBondContact O-CB 3.26Å; L373-L376 PolarHBondContact O-N 2.87Å; L373-F378 HydrophobicContact CB-CD2 4.08Å; L373-F378 HydrophobicContact CD2-CD2 3.83Å; L373-F378 HydrophobicContact CD2-CE2 4.01Å; L373-F378 WeakPolarHBondContact O-CB 3.48Å; L373-F378 WeakPolarHBondContact O-CD2 3.4Å; L373-F378 PolarHBondContact O-N 3.24Å; L373-A383 HydrophobicContact CB-CB 3.73Å; L373-A383 HydrophobicContact CD1-CB 3.86Å; L373-A383 HydrophobicContact CG-CB 4.47Å; L373-L387 HydrophobicContact CD1-CD1 3.94Å; L373-L387 HydrophobicContact CD1-CD2 3.92Å; L373-L387 HydrophobicContact CD1-CG 3.65Å; L373-L394 HydrophobicContact CD2-CG 4.31Å; L373-L394 HydrophobicContact CG-CD1 4.42Å; L373-L394 HydrophobicContact CG-CG 4.47Å; L373-A397 HydrophobicContact CD1-CB 4.2Å; L373-A398 HydrophobicContact CD2-CB 3.95Å; L373-I401 HydrophobicContact CD1-CD1 4.33Å
374L96.7Very high94.5Very high70 Ų7061.4 Ų61.437%0.36634%0.335SS..Hα-helixtrans-63.1-42173.7-68176.5000111.5M370 D371 L376 G377 F378 E380M370-L374 WeakPolarHBondContact O-CG 3.47Å; M370-L374 PolarHBondContact O-N 3.06Å; D371-L374 WeakPolarHBondContact O-CB 3.3Å; D371-L374 PolarHBondContact O-N 2.93Å; L374-L376 PolarHBondContact O-N 3.45Å; L374-G377 WeakPolarHBondContact O-CA 3.42Å; L374-G377 PolarHBondContact O-N 2.84Å; L374-F378 VanDerWaalsContact CD2-O 3.25Å; L374-F378 WeakPolarHBondContact CD2-O 3.48Å; L374-E380 HydrophobicContact CD2-CB 4.23Å
375V96.9Very high94.6Very high128 Ų12858.9 Ų58.978%0.77632%0.32SS*.Hα-helixtrans-61.3-31.5175170.20000111.8D371 Q372 G377D371-V375 WeakPolarHBondContact O-CG2 3.25Å; D371-V375 PolarHBondContact O-N 3.5Å; Q372-V375 PolarHBondContact O-N 3.46Å; V375-G377 PolarHBondContact O-N 3.32Å
376L95.1Very high94.8Very high108 Ų10857.5 Ų57.557%0.56531%0.312SS*.THydrogen-bonded Turntrans-73.4-1.5172.9-65.4174000113.7Q372 L373 L374 F378 A398Q372-L376 WeakPolarHBondContact O-CG 3.28Å; Q372-L376 PolarHBondContact O-N 3.4Å; L373-L376 HydrophobicContact CD2-CD1 4.27Å; L373-L376 WeakPolarHBondContact O-CB 3.26Å; L373-L376 PolarHBondContact O-N 2.87Å; L374-L376 PolarHBondContact O-N 3.45Å; L376-F378 HydrophobicContact CB-CD2 3.98Å; L376-F378 HydrophobicContact CB-CE2 3.93Å; L376-F378 HydrophobicContact CD1-CE2 4.19Å; L376-A398 HydrophobicContact CD1-CB 4.48Å
377G95.6Very high94.8Very high49 Ų4954.1 Ų54.151%0.50529%0.293SS..THydrogen-bonded Turntrans86.717.5178.600000114.1L374 V375 R405L374-G377 WeakPolarHBondContact O-CA 3.42Å; L374-G377 PolarHBondContact O-N 2.84Å; V375-G377 PolarHBondContact O-N 3.32Å; G377-R405 PolarHBondContact O-NH2 2.85Å
378F95.8Very high94.8Very high17 Ų1750.6 Ų50.68%0.07527%0.267CS..  trans-81.4147.3169.1-57.6-54.1000111L373 L374 L376 E382 A398 I401L373-F378 HydrophobicContact CB-CD2 4.08Å; L373-F378 HydrophobicContact CD2-CD2 3.83Å; L373-F378 HydrophobicContact CD2-CE2 4.01Å; L373-F378 WeakPolarHBondContact O-CB 3.48Å; L373-F378 WeakPolarHBondContact O-CD2 3.4Å; L373-F378 PolarHBondContact O-N 3.24Å; L374-F378 VanDerWaalsContact CD2-O 3.25Å; L374-F378 WeakPolarHBondContact CD2-O 3.48Å; L376-F378 HydrophobicContact CB-CD2 3.98Å; L376-F378 HydrophobicContact CB-CE2 3.93Å; L376-F378 HydrophobicContact CD1-CE2 4.19Å; F378-E382 HydrophobicContact CB-CB 4.35Å; F378-A398 HydrophobicContact CE2-CB 4.01Å; F378-A398 HydrophobicContact CZ-CB 4.5Å; F378-I401 HydrophobicContact CD1-CB 4.15Å; F378-I401 HydrophobicContact CD1-CG2 3.27Å; F378-I401 HydrophobicContact CD2-CD1 4.12Å; F378-I401 HydrophobicContact CE1-CB 3.98Å; F378-I401 HydrophobicContact CE1-CG2 3.43Å; F378-I401 VanDerWaalsContact CE1-CG2 3.43Å; F378-I401 HydrophobicContact CE2-CD1 4.46Å; F378-I401 HydrophobicContact CG-CD1 4.18Å; F378-I401 HydrophobicContact CG-CG2 3.92Å; F378-I401 HydrophobicContact CZ-CB 4.23Å; F378-I401 HydrophobicContact CZ-CG2 4.16Å
379S94.3Very high94.5Very high46 Ų4644.6 Ų44.632%0.32224%0.242SC..  trans-73157.9171.761.10000110.8R381 E382 A383S379-R381 VanDerWaalsContact C-N 3.26Å; S379-R381 PolarHBondContact O-N 2.9Å; S379-E382 WeakPolarHBondContact CB-OE2 3.36Å; S379-E382 PolarHBondContact N-OE2 3.15Å; S379-E382 PolarHBondContact O-N 3.07Å; S379-E382 WeakPolarHBondContact OG-CB 3.37Å; S379-E382 VanDerWaalsContact OG-CD 3.24Å; S379-E382 WeakPolarHBondContact OG-CG 3.46Å; S379-E382 PolarHBondContact OG-N 3.28Å; S379-E382 PolarHBondContact OG-OE2 2.88Å; S379-A383 PolarHBondContact O-N 2.87Å
380E93.8Very high94.3Very high109 Ų10942.5 Ų42.551%0.50924%0.236SC..Hα-helixtrans-55.9-42.1178.7-166.6-173.4164.300112.1M370 L374 A383 R384M370-E380 HydrophobicContact CE-CG 3.64Å; M370-E380 WeakPolarHBondContact CE-O 3.5Å; L374-E380 HydrophobicContact CD2-CB 4.23Å; E380-A383 PolarHBondContact O-N 3.23Å; E380-R384 VanDerWaalsContact O-CB 3.29Å; E380-R384 WeakPolarHBondContact O-CB 3.5Å; E380-R384 PolarHBondContact O-N 3.11Å; E380-R384 IonicContact OE1-CZ 3.04Å; E380-R384 IonicContact OE1-NH2 2.73Å; E380-R384 PolarHBondContact OE1-NH2 3.23Å
381R92.3Very high93.8Very high43 Ų4345.2 Ų45.216%0.16227%0.268CS..Hα-helixtrans-60.2-49174.3178.3176.673.6-130.4-28.3112.2S379 A383 R384 L385 H557 D560 D563S379-R381 VanDerWaalsContact C-N 3.26Å; S379-R381 PolarHBondContact O-N 2.9Å; R381-A383 VanDerWaalsContact C-N 3.31Å; R381-A383 PolarHBondContact O-N 3.5Å; R381-R384 PolarHBondContact O-N 2.87Å; R381-L385 HydrophobicContact CG-CD1 3.7Å; R381-L385 HydrophobicContact CG-CG 4.04Å; R381-L385 WeakPolarHBondContact O-CB 3.25Å; R381-L385 WeakPolarHBondContact O-CG 3.28Å; R381-L385 PolarHBondContact O-N 2.91Å; R381-H557 PolarHBondContact NH1-CD2 3.4Å; R381-H557 PolarHBondContact NH2-CD2 3.39Å; R381-H557 PolarHBondContact NH2-CE1 2.89Å; R381-H557 PolarHBondContact NH2-ND1 3.12Å; R381-H557 PolarHBondContact NH2-NE2 3.42Å; R381-D560 IonicContact NH1-OD1 2.83Å; R381-D563 WeakPolarHBondContact CB-OD2 3.47Å; R381-D563 WeakPolarHBondContact CD-OD2 3.37Å; R381-D563 HydrophobicContact CG-CB 3.76Å; R381-D563 VanDerWaalsContact CG-CG 3.44Å; R381-D563 WeakPolarHBondContact CG-OD2 3.45Å
382E93.8Very high93.5Very high39 Ų3942.1 Ų42.118%0.18226%0.257CS..Hα-helixtrans-60.9-44.2-178.9-76166.7138.800110.9F378 S379 G386 I401 R405F378-E382 HydrophobicContact CB-CB 4.35Å; S379-E382 WeakPolarHBondContact CB-OE2 3.36Å; S379-E382 PolarHBondContact N-OE2 3.15Å; S379-E382 PolarHBondContact O-N 3.07Å; S379-E382 WeakPolarHBondContact OG-CB 3.37Å; S379-E382 VanDerWaalsContact OG-CD 3.24Å; S379-E382 WeakPolarHBondContact OG-CG 3.46Å; S379-E382 PolarHBondContact OG-N 3.28Å; S379-E382 PolarHBondContact OG-OE2 2.88Å; E382-G386 WeakPolarHBondContact O-CA 3.34Å; E382-G386 PolarHBondContact O-N 2.89Å; E382-I401 HydrophobicContact CB-CD1 4.4Å; E382-I401 HydrophobicContact CB-CG1 4.41Å; E382-I401 HydrophobicContact CB-CG2 3.84Å; E382-I401 HydrophobicContact CG-CG2 4.16Å; E382-I401 VanDerWaalsContact O-CD1 3.31Å; E382-I401 WeakPolarHBondContact O-CD1 3.21Å; E382-R405 IonicContact OE1-CZ 3.16Å; E382-R405 IonicContact OE1-NE 3.94Å; E382-R405 PolarHBondContact OE1-NE 2.96Å; E382-R405 IonicContact OE1-NH2 2.67Å; E382-R405 PolarHBondContact OE1-NH2 3.46Å; E382-R405 IonicContact OE2-CZ 2.84Å; E382-R405 IonicContact OE2-NE 3.23Å; E382-R405 IonicContact OE2-NH2 2.7Å; E382-R405 PolarHBondContact OE2-NH2 3.3Å
383A95Very high93.2Very high0 Ų041.3 Ų41.30%026%0.255CS..Hα-helixtrans-59.4-47.8175.800000111.1M370 L373 S379 E380 R381 G386 L387M370-A383 HydrophobicContact CE-CB 3.81Å; M370-A383 HydrophobicContact SD-CB 3.66Å; L373-A383 HydrophobicContact CB-CB 3.73Å; L373-A383 HydrophobicContact CD1-CB 3.86Å; L373-A383 HydrophobicContact CG-CB 4.47Å; S379-A383 PolarHBondContact O-N 2.87Å; E380-A383 PolarHBondContact O-N 3.23Å; R381-A383 VanDerWaalsContact C-N 3.31Å; R381-A383 PolarHBondContact O-N 3.5Å; A383-G386 PolarHBondContact O-N 3.2Å; A383-L387 WeakPolarHBondContact O-CB 3.42Å; A383-L387 WeakPolarHBondContact O-CG 3.27Å; A383-L387 PolarHBondContact O-N 3.41Å
384R94.1Very high93.1Very high19 Ų1942.2 Ų42.27%0.07226%0.26CS..Hα-helixtrans-61.7-51.3179.8-173.9170.5-39.9154.8-7.8112.6P365 M370 E380 R381 G386 R388 D563 L564 T565P365-R384 HydrophobicContact CG-CB 4.38Å; P365-R384 HydrophobicContact CG-CG 3.64Å; M370-R384 HydrophobicContact CE-CB 4.19Å; M370-R384 HydrophobicContact SD-CB 4.2Å; E380-R384 VanDerWaalsContact O-CB 3.29Å; E380-R384 WeakPolarHBondContact O-CB 3.5Å; E380-R384 PolarHBondContact O-N 3.11Å; E380-R384 IonicContact OE1-CZ 3.04Å; E380-R384 IonicContact OE1-NH2 2.73Å; E380-R384 PolarHBondContact OE1-NH2 3.23Å; R381-R384 PolarHBondContact O-N 2.87Å; R384-G386 VanDerWaalsContact C-N 3.34Å; R384-R388 WeakPolarHBondContact O-CG 3.27Å; R384-R388 PolarHBondContact O-N 3.33Å; R384-R388 VanDerWaalsContact O-N 3.09Å; R384-D563 VanDerWaalsContact CD-OD1 3.27Å; R384-D563 WeakPolarHBondContact CD-OD1 3.33Å; R384-D563 IonicContact CZ-OD1 3.67Å; R384-D563 IonicContact NE-OD1 2.83Å; R384-D563 IonicContact NH1-OD1 3.64Å; R384-D563 PolarHBondContact NH1-OD1 2.85Å; R384-L564 WeakPolarHBondContact CD-O 3.49Å; R384-T565 VanDerWaalsContact NH1-CG2 3.3Å
385L92.5Very high93Very high7 Ų745 Ų454%0.03727%0.271CS..Hα-helixtrans-69-33.2179.6-66.6-176.7000112.2R324 R381 A389 E559 L562 D563R324-L385 PolarHBondContact NE-O 3.28Å; R381-L385 HydrophobicContact CG-CD1 3.7Å; R381-L385 HydrophobicContact CG-CG 4.04Å; R381-L385 WeakPolarHBondContact O-CB 3.25Å; R381-L385 WeakPolarHBondContact O-CG 3.28Å; R381-L385 PolarHBondContact O-N 2.91Å; L385-A389 WeakPolarHBondContact O-CB 3.5Å; L385-A389 PolarHBondContact O-N 3.47Å; L385-A389 VanDerWaalsContact O-N 3.16Å; L385-E559 HydrophobicContact CD1-CB 4.06Å; L385-L562 HydrophobicContact CD2-CB 4.12Å; L385-D563 HydrophobicContact CD1-CB 4.45Å; L385-D563 HydrophobicContact CD2-CB 4.24Å; L385-D563 HydrophobicContact CG-CB 4.41Å
386G92.8Very high92.8Very high2 Ų240.8 Ų40.82%0.02125%0.25CC..Hα-helixtrans-65.3-52.6175.200000111.5E382 A383 R384 R388 A389 C390E382-G386 WeakPolarHBondContact O-CA 3.34Å; E382-G386 PolarHBondContact O-N 2.89Å; A383-G386 PolarHBondContact O-N 3.2Å; R384-G386 VanDerWaalsContact C-N 3.34Å; G386-R388 VanDerWaalsContact C-N 3.35Å; G386-R388 PolarHBondContact O-N 3.49Å; G386-A389 PolarHBondContact O-N 3.23Å; G386-C390 WeakPolarHBondContact O-CB 3.46Å; G386-C390 PolarHBondContact O-N 3.04Å
387L93.2Very high92.8Very high4 Ų435.6 Ų35.62%0.02122%0.223CC..Hα-helixtrans-61-42.1178.8-72.6172.4000112.1P365 K369 M370 L373 A383 A389 C390 G391 G392 A397P365-L387 HydrophobicContact CB-CD1 4.21Å; K369-L387 HydrophobicContact CB-CD1 4.03Å; K369-L387 HydrophobicContact CB-CD2 4.18Å; K369-L387 HydrophobicContact CD-CD2 4.43Å; M370-L387 HydrophobicContact CG-CD1 3.89Å; M370-L387 HydrophobicContact SD-CD1 3.71Å; L373-L387 HydrophobicContact CD1-CD1 3.94Å; L373-L387 HydrophobicContact CD1-CD2 3.92Å; L373-L387 HydrophobicContact CD1-CG 3.65Å; A383-L387 WeakPolarHBondContact O-CB 3.42Å; A383-L387 WeakPolarHBondContact O-CG 3.27Å; A383-L387 PolarHBondContact O-N 3.41Å; L387-A389 PolarHBondContact O-N 2.92Å; L387-C390 CarbonylContact O-C 3.58Å; L387-C390 PolarHBondContact O-N 3.5Å; L387-G391 PolarHBondContact O-N 3.42Å; L387-G392 PolarHBondContact O-N 3Å; L387-A397 HydrophobicContact CD2-CB 3.95Å; L387-A397 HydrophobicContact CG-CB 4.34Å
388R92.1Very high92.8Very high9 Ų934.1 Ų34.13%0.03421%0.206CC..Hα-helixtrans-59.2-47.2175.2-77.2177.3-178.6155.96.5112.4G323 L363 R384 G386 C390 G391 L562 L564G323-R388 WeakPolarHBondContact CA-O 3.41Å; L363-R388 HydrophobicContact CD2-CG 4.23Å; L363-R388 PolarHBondContact O-NE 2.83Å; L363-R388 PolarHBondContact O-NH2 3.09Å; R384-R388 WeakPolarHBondContact O-CG 3.27Å; R384-R388 PolarHBondContact O-N 3.33Å; R384-R388 VanDerWaalsContact O-N 3.09Å; G386-R388 VanDerWaalsContact C-N 3.35Å; G386-R388 PolarHBondContact O-N 3.49Å; R388-C390 PolarHBondContact O-N 3.25Å; R388-G391 PolarHBondContact O-N 3.42Å; R388-L562 PolarHBondContact NH1-O 2.87Å; R388-L564 VanDerWaalsContact CZ-O 3.28Å; R388-L564 PolarHBondContact NH1-O 3.23Å; R388-L564 PolarHBondContact NH2-O 2.92Å
389A89.3Confident92.7Very high15 Ų1537.5 Ų37.512%0.12423%0.228CC..Hα-helixtrans-65-28.9179.800000113.5N321 R324 L385 G386 L387 L400N321-A389 HydrophobicContact CB-CB 4.15Å; R324-A389 HydrophobicContact CG-CB 3.93Å; L385-A389 WeakPolarHBondContact O-CB 3.5Å; L385-A389 PolarHBondContact O-N 3.47Å; L385-A389 VanDerWaalsContact O-N 3.16Å; G386-A389 PolarHBondContact O-N 3.23Å; L387-A389 PolarHBondContact O-N 2.92Å; A389-L400 HydrophobicContact CB-CD2 3.69Å
390C90.2Very high92.6Very high30 Ų3037 Ų3720%0.20322%0.221CC..THydrogen-bonded Turntrans-100.512.4-178.2-64.90000113.7G386 L387 R388 G392 D393 A396 A397 L400G386-C390 WeakPolarHBondContact O-CB 3.46Å; G386-C390 PolarHBondContact O-N 3.04Å; L387-C390 CarbonylContact O-C 3.58Å; L387-C390 PolarHBondContact O-N 3.5Å; R388-C390 PolarHBondContact O-N 3.25Å; C390-G392 PolarHBondContact O-N 3.49Å; C390-D393 HydrophobicContact CB-CB 4.37Å; C390-D393 WeakPolarHBondContact O-CB 2.91Å; C390-D393 PolarHBondContact O-N 3.2Å; C390-D393 VanDerWaalsContact O-N 3.13Å; C390-A396 HydrophobicContact CB-CB 3.95Å; C390-A397 HydrophobicContact CB-CB 4.26Å; C390-A397 PolarHBondContact SG-N 3.05Å; C390-L400 VanDerWaalsContact SG-CD2 3.54Å
391G86.8Confident92.6Very high71 Ų7132.1 Ų32.173%0.73220%0.198SC*.THydrogen-bonded Turntrans59.629.118000000113.9L387 R388L387-G391 PolarHBondContact O-N 3.42Å; R388-G391 PolarHBondContact O-N 3.42Å
392G88.7Confident92.7Very high23 Ų2332.8 Ų32.824%0.23721%0.21CC..THydrogen-bonded Turntrans83.28.6-178.900000115.4K369 L387 C390 L394K369-G392 VanDerWaalsContact CD-O 3.25Å; K369-G392 WeakPolarHBondContact CD-O 3.42Å; K369-G392 WeakPolarHBondContact CE-O 3.31Å; K369-G392 PolarHBondContact NZ-O 3.2Å; L387-G392 PolarHBondContact O-N 3Å; C390-G392 PolarHBondContact O-N 3.49Å; G392-L394 PolarHBondContact O-N 3.32Å
393D92.2Very high92.6Very high79 Ų7935.1 Ų35.142%0.42222%0.224SC..  trans-74.4117.6169.6-175.8-33000110.2C390 Q395 A396 A397C390-D393 HydrophobicContact CB-CB 4.37Å; C390-D393 WeakPolarHBondContact O-CB 2.91Å; C390-D393 PolarHBondContact O-N 3.2Å; C390-D393 VanDerWaalsContact O-N 3.13Å; D393-Q395 PolarHBondContact OD1-N 2.81Å; D393-A396 HydrophobicContact CB-CB 3.9Å; D393-A396 PolarHBondContact OD1-N 3.29Å; D393-A397 WeakPolarHBondContact O-CB 3.26Å; D393-A397 PolarHBondContact O-N 3.18Å
394L94.3Very high92.3Very high18 Ų1838.5 Ų38.59%0.09424%0.236CC..Hα-helixtrans-70.2-40.1-175.3177.3136.4000112.6K369 Q372 L373 G392 A397 A398K369-L394 HydrophobicContact CB-CD1 3.94Å; K369-L394 HydrophobicContact CG-CD1 4.11Å; Q372-L394 HydrophobicContact CB-CD1 3.58Å; Q372-L394 HydrophobicContact CG-CD1 4.31Å; Q372-L394 VanDerWaalsContact OE1-CD1 3.26Å; L373-L394 HydrophobicContact CD2-CG 4.31Å; L373-L394 HydrophobicContact CG-CD1 4.42Å; L373-L394 HydrophobicContact CG-CG 4.47Å; G392-L394 PolarHBondContact O-N 3.32Å; L394-A397 PolarHBondContact O-N 3.36Å; L394-A398 WeakPolarHBondContact O-CB 3.34Å; L394-A398 PolarHBondContact O-N 3.47Å
395Q94.3Very high92.1Very high128 Ų12841.8 Ų41.860%0.59825%0.249SC*.Hα-helixtrans-72.9-45.4-176.8-79.567.910.900109.7D393 A397 A398 V399D393-Q395 PolarHBondContact OD1-N 2.81Å; Q395-A397 VanDerWaalsContact C-N 3.3Å; Q395-A397 PolarHBondContact O-N 2.98Å; Q395-A398 PolarHBondContact O-N 3.02Å; Q395-V399 WeakPolarHBondContact O-CG2 3.19Å; Q395-V399 PolarHBondContact O-N 3.41Å; Q395-V399 VanDerWaalsContact O-N 3.08Å
396A93.1Very high92.1Very high40 Ų4046.2 Ų46.233%0.33127%0.269SS..Hα-helixtrans-61.5-40.6173.500000111.3C390 D393 V399 L400C390-A396 HydrophobicContact CB-CB 3.95Å; D393-A396 HydrophobicContact CB-CB 3.9Å; D393-A396 PolarHBondContact OD1-N 3.29Å; A396-V399 PolarHBondContact O-N 3.06Å; A396-L400 VanDerWaalsContact O-CB 3.25Å; A396-L400 WeakPolarHBondContact O-CB 3.28Å; A396-L400 PolarHBondContact O-N 3.39Å
397A94.2Very high91.8Very high0 Ų051.4 Ų51.40%029%0.293CS..Hα-helixtrans-62.3-46.7176.200000112.1L373 L387 C390 D393 L394 Q395 V399 L400 I401L373-A397 HydrophobicContact CD1-CB 4.2Å; L387-A397 HydrophobicContact CD2-CB 3.95Å; L387-A397 HydrophobicContact CG-CB 4.34Å; C390-A397 HydrophobicContact CB-CB 4.26Å; C390-A397 PolarHBondContact SG-N 3.05Å; D393-A397 WeakPolarHBondContact O-CB 3.26Å; D393-A397 PolarHBondContact O-N 3.18Å; L394-A397 PolarHBondContact O-N 3.36Å; Q395-A397 VanDerWaalsContact C-N 3.3Å; Q395-A397 PolarHBondContact O-N 2.98Å; A397-V399 PolarHBondContact O-N 2.96Å; A397-L400 PolarHBondContact O-N 3.11Å; A397-I401 WeakPolarHBondContact O-CD1 3.46Å; A397-I401 WeakPolarHBondContact O-CG1 3.3Å; A397-I401 PolarHBondContact O-N 3.01Å
398A95.8Very high91.5Very high18 Ų1855.5 Ų55.515%0.14931%0.308CS..Hα-helixtrans-59.3-46.6178.100000112L373 L376 F378 L394 Q395 L400 I401 S402L373-A398 HydrophobicContact CD2-CB 3.95Å; L376-A398 HydrophobicContact CD1-CB 4.48Å; F378-A398 HydrophobicContact CE2-CB 4.01Å; F378-A398 HydrophobicContact CZ-CB 4.5Å; L394-A398 WeakPolarHBondContact O-CB 3.34Å; L394-A398 PolarHBondContact O-N 3.47Å; Q395-A398 PolarHBondContact O-N 3.02Å; A398-L400 PolarHBondContact O-N 3.35Å; A398-I401 PolarHBondContact O-N 3.24Å; A398-S402 PolarHBondContact O-N 3.22Å; A398-S402 PolarHBondContact O-OG 3.48Å
399V94.9Very high91.3Very high88 Ų8859.7 Ų59.753%0.53333%0.328SS..Hα-helixtrans-61.3-45.1176.5172.90000111Q395 A396 A397 S402 N403Q395-V399 WeakPolarHBondContact O-CG2 3.19Å; Q395-V399 PolarHBondContact O-N 3.41Å; Q395-V399 VanDerWaalsContact O-N 3.08Å; A396-V399 PolarHBondContact O-N 3.06Å; A397-V399 PolarHBondContact O-N 2.96Å; V399-S402 PolarHBondContact O-N 3.31Å; V399-N403 WeakPolarHBondContact O-CB 3.36Å; V399-N403 VanDerWaalsContact O-CG 3.26Å; V399-N403 PolarHBondContact O-N 2.98Å
400L91.9Very high91.3Very high35 Ų3561.7 Ų61.718%0.18334%0.337CS..Hα-helixtrans-63.6-42.5-180-178.159.7000112.2A389 C390 A396 A397 A398 R404A389-L400 HydrophobicContact CB-CD2 3.69Å; C390-L400 VanDerWaalsContact SG-CD2 3.54Å; A396-L400 VanDerWaalsContact O-CB 3.25Å; A396-L400 WeakPolarHBondContact O-CB 3.28Å; A396-L400 PolarHBondContact O-N 3.39Å; A397-L400 PolarHBondContact O-N 3.11Å; A398-L400 PolarHBondContact O-N 3.35Å; L400-R404 WeakPolarHBondContact O-CB 3.38Å; L400-R404 WeakPolarHBondContact O-CD 3.16Å; L400-R404 VanDerWaalsContact O-CG 3.27Å; L400-R404 WeakPolarHBondContact O-CG 3.19Å; L400-R404 PolarHBondContact O-N 2.73Å; L400-R404 VanDerWaalsContact O-N 3.11Å
401I93.4Very high91.1Very high6 Ų664 Ų643%0.03135%0.345CS..Hα-helixtrans-64.2-46.4177.5-63.9160.1000110.1L373 F378 E382 A397 A398 R404 R405L373-I401 HydrophobicContact CD1-CD1 4.33Å; F378-I401 HydrophobicContact CD1-CB 4.15Å; F378-I401 HydrophobicContact CD1-CG2 3.27Å; F378-I401 HydrophobicContact CD2-CD1 4.12Å; F378-I401 HydrophobicContact CE1-CB 3.98Å; F378-I401 HydrophobicContact CE1-CG2 3.43Å; F378-I401 VanDerWaalsContact CE1-CG2 3.43Å; F378-I401 HydrophobicContact CE2-CD1 4.46Å; F378-I401 HydrophobicContact CG-CD1 4.18Å; F378-I401 HydrophobicContact CG-CG2 3.92Å; F378-I401 HydrophobicContact CZ-CB 4.23Å; F378-I401 HydrophobicContact CZ-CG2 4.16Å; E382-I401 HydrophobicContact CB-CD1 4.4Å; E382-I401 HydrophobicContact CB-CG1 4.41Å; E382-I401 HydrophobicContact CB-CG2 3.84Å; E382-I401 HydrophobicContact CG-CG2 4.16Å; E382-I401 VanDerWaalsContact O-CD1 3.31Å; E382-I401 WeakPolarHBondContact O-CD1 3.21Å; A397-I401 WeakPolarHBondContact O-CD1 3.46Å; A397-I401 WeakPolarHBondContact O-CG1 3.3Å; A397-I401 PolarHBondContact O-N 3.01Å; A398-I401 PolarHBondContact O-N 3.24Å; I401-R404 PolarHBondContact O-N 3.43Å; I401-R405 PolarHBondContact O-N 2.86Å
402S94.2Very high91Very high58 Ų5863.9 Ų63.941%0.40633%0.325SS..Hα-helixtrans-60.8-46.4178.2-70.40000112.6A398 V399 R404 R405 Q406A398-S402 PolarHBondContact O-N 3.22Å; A398-S402 PolarHBondContact O-OG 3.48Å; V399-S402 PolarHBondContact O-N 3.31Å; S402-R404 VanDerWaalsContact C-N 3.27Å; S402-R404 PolarHBondContact O-N 2.98Å; S402-R405 PolarHBondContact O-N 3.49Å; S402-Q406 PolarHBondContact O-N 3.18Å; S402-Q406 VanDerWaalsContact O-N 3.09Å
403N92Very high91Very high88 Ų8868.4 Ų68.447%0.47134%0.34SS..Hα-helixtrans-59.6-39.9177.2-72.2-11000111.6V399 Q406 E407V399-N403 WeakPolarHBondContact O-CB 3.36Å; V399-N403 VanDerWaalsContact O-CG 3.26Å; V399-N403 PolarHBondContact O-N 2.98Å; N403-Q406 WeakPolarHBondContact O-CB 3.37Å; N403-Q406 PolarHBondContact O-N 2.91Å; N403-E407 WeakPolarHBondContact O-CG 3.46Å; N403-E407 PolarHBondContact O-N 3.27Å
404R88.4Confident90.8Very high70 Ų7070.5 Ų70.526%0.26435%0.345SS..Hα-helixtrans-69.7-35.9178.6-77.1169.8153.4-130.6-21.2113.7R324 L400 I401 S402 Q406 R408 E559R324-R404 VanDerWaalsContact NH1-NH1 3.15Å; L400-R404 WeakPolarHBondContact O-CB 3.38Å; L400-R404 WeakPolarHBondContact O-CD 3.16Å; L400-R404 VanDerWaalsContact O-CG 3.27Å; L400-R404 WeakPolarHBondContact O-CG 3.19Å; L400-R404 PolarHBondContact O-N 2.73Å; L400-R404 VanDerWaalsContact O-N 3.11Å; I401-R404 PolarHBondContact O-N 3.43Å; S402-R404 VanDerWaalsContact C-N 3.27Å; S402-R404 PolarHBondContact O-N 2.98Å; R404-Q406 VanDerWaalsContact C-N 3.31Å; R404-R408 VanDerWaalsContact O-CB 3.23Å; R404-R408 WeakPolarHBondContact O-CB 3.39Å; R404-R408 PolarHBondContact O-N 3.27Å; R404-E559 IonicContact CZ-OE1 3.63Å; R404-E559 IonicContact CZ-OE2 2.69Å; R404-E559 IonicContact NH1-OE1 2.95Å; R404-E559 PolarHBondContact NH1-OE1 2.87Å; R404-E559 IonicContact NH1-OE2 3.09Å; R404-E559 PolarHBondContact NH1-OE2 3.2Å; R404-E559 IonicContact NH2-OE1 2.63Å; R404-E559 PolarHBondContact NH2-OE1 3.33Å; R404-E559 IonicContact NH2-OE2 3.39Å
405R90.3Very high90.2Very high89 Ų8973.6 Ų73.634%0.33636%0.359SS..Hα-helixtrans-59.2-47.2170.8-76.3-176.7174.1-175.1-2.5109.9G377 E382 I401 S402 R408 E409G377-R405 PolarHBondContact O-NH2 2.85Å; E382-R405 IonicContact OE1-CZ 3.16Å; E382-R405 IonicContact OE1-NE 3.94Å; E382-R405 PolarHBondContact OE1-NE 2.96Å; E382-R405 IonicContact OE1-NH2 2.67Å; E382-R405 PolarHBondContact OE1-NH2 3.46Å; E382-R405 IonicContact OE2-CZ 2.84Å; E382-R405 IonicContact OE2-NE 3.23Å; E382-R405 IonicContact OE2-NH2 2.7Å; E382-R405 PolarHBondContact OE2-NH2 3.3Å; I401-R405 PolarHBondContact O-N 2.86Å; S402-R405 PolarHBondContact O-N 3.49Å; R405-R408 PolarHBondContact O-N 3.4Å; R405-E409 WeakPolarHBondContact O-CG 3.36Å; R405-E409 PolarHBondContact O-N 2.87Å
406Q90.9Very high89.8Confident100 Ų10075.5 Ų75.547%0.46736%0.361SS..Hα-helixtrans-61.6-49.8177-170.264.64600112.2S402 N403 R404 R408 E409 D410S402-Q406 PolarHBondContact O-N 3.18Å; S402-Q406 VanDerWaalsContact O-N 3.09Å; N403-Q406 WeakPolarHBondContact O-CB 3.37Å; N403-Q406 PolarHBondContact O-N 2.91Å; R404-Q406 VanDerWaalsContact C-N 3.31Å; Q406-R408 PolarHBondContact O-N 2.84Å; Q406-E409 PolarHBondContact O-N 2.72Å; Q406-D410 PolarHBondContact NE2-OD1 2.89Å; Q406-D410 WeakPolarHBondContact O-CB 3.18Å; Q406-D410 VanDerWaalsContact O-CG 3.28Å; Q406-D410 PolarHBondContact O-N 3.37Å
407E87.9Confident89.5Confident110 Ų11079.9 Ų79.951%0.51437%0.374SS..Hα-helixtrans-57.1-40.3177.9-75.9174.1178.800111.8N403 D410 Q411N403-E407 WeakPolarHBondContact O-CG 3.46Å; N403-E407 PolarHBondContact O-N 3.27Å; E407-D410 PolarHBondContact O-N 2.7Å; E407-Q411 WeakPolarHBondContact O-CB 3.34Å; E407-Q411 WeakPolarHBondContact O-CG 3.28Å; E407-Q411 PolarHBondContact O-N 3.19Å
408R85.7Confident88.9Confident90 Ų9086.8 Ų86.834%0.3440%0.4SS..Hα-helixtrans-70-41.2178.3-170.1-179.3-174.3-1534.7112.2R404 R405 Q406 D410 Q411 Q412 R556 H557R404-R408 VanDerWaalsContact O-CB 3.23Å; R404-R408 WeakPolarHBondContact O-CB 3.39Å; R404-R408 PolarHBondContact O-N 3.27Å; R405-R408 PolarHBondContact O-N 3.4Å; Q406-R408 PolarHBondContact O-N 2.84Å; R408-D410 VanDerWaalsContact C-N 3.35Å; R408-Q411 PolarHBondContact O-N 3.34Å; R408-Q412 WeakPolarHBondContact O-CB 3.23Å; R408-Q412 VanDerWaalsContact O-CG 3.27Å; R408-Q412 WeakPolarHBondContact O-CG 3.41Å; R408-Q412 PolarHBondContact O-N 2.92Å; R408-R556 PolarHBondContact NH2-O 3.44Å; R408-H557 PolarHBondContact NH1-CE1 2.92Å; R408-H557 PolarHBondContact NH1-ND1 3.4Å
409E89.2Confident88.1Confident98 Ų9891 Ų9146%0.45841%0.413SS..Hα-helixtrans-61.8-44.8173.9-75.1175.8-165.400110.8R405 Q406 Q411 Q412 Q413R405-E409 WeakPolarHBondContact O-CG 3.36Å; R405-E409 PolarHBondContact O-N 2.87Å; Q406-E409 PolarHBondContact O-N 2.72Å; E409-Q411 PolarHBondContact O-N 3.16Å; E409-Q412 PolarHBondContact O-N 3.49Å; E409-Q413 WeakPolarHBondContact O-CB 3.38Å; E409-Q413 VanDerWaalsContact O-CG 3.28Å; E409-Q413 WeakPolarHBondContact O-CG 3.42Å; E409-Q413 PolarHBondContact O-N 3.36Å
410D89.8Confident87.6Confident57 Ų5795 Ų9531%0.30542%0.418SS..Hα-helixtrans-62.3-41.8176.3-70.3-2.4000111.7Q406 E407 R408 Q413 K414Q406-D410 PolarHBondContact NE2-OD1 2.89Å; Q406-D410 WeakPolarHBondContact O-CB 3.18Å; Q406-D410 VanDerWaalsContact O-CG 3.28Å; Q406-D410 PolarHBondContact O-N 3.37Å; E407-D410 PolarHBondContact O-N 2.7Å; R408-D410 VanDerWaalsContact C-N 3.35Å; D410-Q413 PolarHBondContact O-N 3.4Å; D410-K414 WeakPolarHBondContact O-CB 3.24Å; D410-K414 VanDerWaalsContact O-CG 3.25Å; D410-K414 WeakPolarHBondContact O-CG 3Å; D410-K414 PolarHBondContact O-N 3.05Å
411Q84.9Confident87.3Confident79 Ų7996.3 Ų96.337%0.36943%0.428SS..Hα-helixtrans-63.9-46.8175.2-77.31715.400111.4E407 R408 E409 Q413 K414 E415E407-Q411 WeakPolarHBondContact O-CB 3.34Å; E407-Q411 WeakPolarHBondContact O-CG 3.28Å; E407-Q411 PolarHBondContact O-N 3.19Å; R408-Q411 PolarHBondContact O-N 3.34Å; E409-Q411 PolarHBondContact O-N 3.16Å; Q411-Q413 VanDerWaalsContact C-N 3.3Å; Q411-Q413 PolarHBondContact O-N 3.41Å; Q411-K414 PolarHBondContact O-N 3.35Å; Q411-E415 WeakPolarHBondContact O-CB 3.44Å; Q411-E415 PolarHBondContact O-N 2.97Å
412Q85.3Confident86.8Confident67 Ų6799 Ų9931%0.31344%0.437SS..Hα-helixtrans-61.1-39.9176.3-75178.122.900111.6R408 E409 E415 R416R408-Q412 WeakPolarHBondContact O-CB 3.23Å; R408-Q412 VanDerWaalsContact O-CG 3.27Å; R408-Q412 WeakPolarHBondContact O-CG 3.41Å; R408-Q412 PolarHBondContact O-N 2.92Å; E409-Q412 PolarHBondContact O-N 3.49Å; Q412-E415 PolarHBondContact O-N 2.89Å; Q412-R416 WeakPolarHBondContact O-CB 3.45Å; Q412-R416 WeakPolarHBondContact O-CG 3.25Å; Q412-R416 PolarHBondContact O-N 2.95Å
413Q88.7Confident86.3Confident118 Ų11899.6 Ų99.655%0.55144%0.435SS*.Hα-helixtrans-64.7-46.9175.6-74178.615.500111.7E409 D410 Q411 E415 R416 Q417E409-Q413 WeakPolarHBondContact O-CB 3.38Å; E409-Q413 VanDerWaalsContact O-CG 3.28Å; E409-Q413 WeakPolarHBondContact O-CG 3.42Å; E409-Q413 PolarHBondContact O-N 3.36Å; D410-Q413 PolarHBondContact O-N 3.4Å; Q411-Q413 VanDerWaalsContact C-N 3.3Å; Q411-Q413 PolarHBondContact O-N 3.41Å; Q413-E415 VanDerWaalsContact C-N 3.31Å; Q413-E415 PolarHBondContact O-N 2.87Å; Q413-R416 PolarHBondContact O-N 3.37Å; Q413-Q417 WeakPolarHBondContact O-CB 3.3Å; Q413-Q417 PolarHBondContact O-N 2.92Å
414K86.5Confident86.1Confident124 Ų12499 Ų9954%0.53943%0.429SS..Hα-helixtrans-60.1-42176.1-75.3168.2-175.6166.80111.7D410 Q411 Q417 R418D410-K414 WeakPolarHBondContact O-CB 3.24Å; D410-K414 VanDerWaalsContact O-CG 3.25Å; D410-K414 WeakPolarHBondContact O-CG 3Å; D410-K414 PolarHBondContact O-N 3.05Å; Q411-K414 PolarHBondContact O-N 3.35Å; K414-Q417 PolarHBondContact O-N 2.88Å; K414-R418 WeakPolarHBondContact O-CB 3.24Å; K414-R418 VanDerWaalsContact O-CG 3.28Å; K414-R418 WeakPolarHBondContact O-CG 3.4Å; K414-R418 PolarHBondContact O-N 2.88Å
415E83.4Confident86.1Confident82 Ų8296.3 Ų96.338%0.38342%0.42SS..Hα-helixtrans-65.9-46.8177.7-168-172.7179.300111.4Q411 Q412 Q413 Q417 R418 R419Q411-E415 WeakPolarHBondContact O-CB 3.44Å; Q411-E415 PolarHBondContact O-N 2.97Å; Q412-E415 PolarHBondContact O-N 2.89Å; Q413-E415 VanDerWaalsContact C-N 3.31Å; Q413-E415 PolarHBondContact O-N 2.87Å; E415-Q417 VanDerWaalsContact C-N 3.28Å; E415-Q417 PolarHBondContact O-N 2.7Å; E415-R418 PolarHBondContact O-N 3.34Å; E415-R419 WeakPolarHBondContact O-CB 3.33Å; E415-R419 VanDerWaalsContact O-CG 3.24Å; E415-R419 WeakPolarHBondContact O-CG 3.46Å; E415-R419 PolarHBondContact O-N 2.96Å; E415-R419 IonicContact OE1-CZ 3.12Å; E415-R419 VanDerWaalsContact OE1-CZ 3.26Å; E415-R419 IonicContact OE1-NE 3.52Å; E415-R419 PolarHBondContact OE1-NE 3.43Å; E415-R419 IonicContact OE1-NH2 2.7Å; E415-R419 PolarHBondContact OE1-NH2 3.38Å; E415-R419 IonicContact OE2-NH2 3.2Å
416R84.4Confident85.9Confident168 Ų16892.3 Ų92.363%0.63441%0.405SS*.Hα-helixtrans-57.5-42.1174-74.4173.2-169.4-175.86.3111.7Q412 Q413 R419 R420Q412-R416 WeakPolarHBondContact O-CB 3.45Å; Q412-R416 WeakPolarHBondContact O-CG 3.25Å; Q412-R416 PolarHBondContact O-N 2.95Å; Q413-R416 PolarHBondContact O-N 3.37Å; R416-R419 PolarHBondContact O-N 3.07Å; R416-R420 WeakPolarHBondContact O-CB 3.07Å; R416-R420 PolarHBondContact O-N 2.89Å
417Q86.9Confident85.8Confident132 Ų13290.1 Ų90.162%0.61740%0.401SS*.Hα-helixtrans-65.5-47177-171.7173.8700111.6Q413 K414 E415 R419 R420 T421Q413-Q417 WeakPolarHBondContact O-CB 3.3Å; Q413-Q417 PolarHBondContact O-N 2.92Å; K414-Q417 PolarHBondContact O-N 2.88Å; E415-Q417 VanDerWaalsContact C-N 3.28Å; E415-Q417 PolarHBondContact O-N 2.7Å; Q417-R419 VanDerWaalsContact C-N 3.3Å; Q417-R419 PolarHBondContact O-N 2.92Å; Q417-R420 PolarHBondContact O-N 3.48Å; Q417-T421 PolarHBondContact O-N 3.47Å; Q417-T421 PolarHBondContact O-OG1 2.79Å; Q417-T421 VanDerWaalsContact O-OG1 3.12Å
418R82.3Confident85.9Confident145 Ų14591.2 Ų91.255%0.54740%0.401SS..Hα-helixtrans-56.8-44175-75.9174.4178.1-176.3-0111.8K414 E415 T421 R422K414-R418 WeakPolarHBondContact O-CB 3.24Å; K414-R418 VanDerWaalsContact O-CG 3.28Å; K414-R418 WeakPolarHBondContact O-CG 3.4Å; K414-R418 PolarHBondContact O-N 2.88Å; E415-R418 PolarHBondContact O-N 3.34Å; R418-T421 PolarHBondContact O-N 3.24Å; R418-R422 WeakPolarHBondContact O-CB 3.48Å; R418-R422 PolarHBondContact O-N 2.86Å
419R79.3Confident86Confident108 Ų10887 Ų8741%0.40838%0.384SS..Hα-helixtrans-61.8-46.5176.7-71.8171.2-179-158.51.6111.5E415 R416 Q417 R422 M423E415-R419 WeakPolarHBondContact O-CB 3.33Å; E415-R419 VanDerWaalsContact O-CG 3.24Å; E415-R419 WeakPolarHBondContact O-CG 3.46Å; E415-R419 PolarHBondContact O-N 2.96Å; E415-R419 IonicContact OE1-CZ 3.12Å; E415-R419 VanDerWaalsContact OE1-CZ 3.26Å; E415-R419 IonicContact OE1-NE 3.52Å; E415-R419 PolarHBondContact OE1-NE 3.43Å; E415-R419 IonicContact OE1-NH2 2.7Å; E415-R419 PolarHBondContact OE1-NH2 3.38Å; E415-R419 IonicContact OE2-NH2 3.2Å; R416-R419 PolarHBondContact O-N 3.07Å; Q417-R419 VanDerWaalsContact C-N 3.3Å; Q417-R419 PolarHBondContact O-N 2.92Å; R419-R422 PolarHBondContact O-N 3.23Å; R419-M423 PolarHBondContact O-N 3.46Å
420R83.9Confident86Confident171 Ų17185.1 Ų85.165%0.64538%0.38SS*.Hα-helixtrans-59.9-49.1177.4-178.8177.5172.41704.5111.6R416 Q417 R422 M423 E424R416-R420 WeakPolarHBondContact O-CB 3.07Å; R416-R420 PolarHBondContact O-N 2.89Å; Q417-R420 PolarHBondContact O-N 3.48Å; R420-R422 PolarHBondContact O-N 2.62Å; R420-M423 PolarHBondContact O-N 3.28Å; R420-E424 WeakPolarHBondContact CG-OE1 3.11Å; R420-E424 IonicContact CZ-OE1 2.87Å; R420-E424 IonicContact NE-OE1 2.64Å; R420-E424 PolarHBondContact NE-OE1 3.43Å; R420-E424 IonicContact NH2-OE1 2.77Å; R420-E424 WeakPolarHBondContact O-CG 3.38Å; R420-E424 PolarHBondContact O-N 3.23Å
421T86.1Confident86.1Confident62 Ų6290.2 Ų90.238%0.3840%0.402SS..Hα-helixtrans-60-45.4177.8-570000111.5Q417 R418 M423 E424 D425Q417-T421 PolarHBondContact O-N 3.47Å; Q417-T421 PolarHBondContact O-OG1 2.79Å; Q417-T421 VanDerWaalsContact O-OG1 3.12Å; R418-T421 PolarHBondContact O-N 3.24Å; T421-M423 VanDerWaalsContact C-N 3.28Å; T421-M423 PolarHBondContact O-N 2.89Å; T421-E424 PolarHBondContact O-N 3.36Å; T421-D425 WeakPolarHBondContact O-CB 3.17Å; T421-D425 VanDerWaalsContact O-CG 3.31Å; T421-D425 PolarHBondContact O-N 3.41Å
422R82.7Confident86.2Confident63 Ų6392.1 Ų92.124%0.23841%0.414CS..Hα-helixtrans-57.5-41.6176.1-176.9-179.8176.8-172.6-4.3112D192 G193 R418 R419 R420 D425 V426D192-R422 PolarHBondContact O-NH2 2.76Å; G193-R422 VanDerWaalsContact O-CZ 3.24Å; G193-R422 PolarHBondContact O-NH2 3.36Å; R418-R422 WeakPolarHBondContact O-CB 3.48Å; R418-R422 PolarHBondContact O-N 2.86Å; R419-R422 PolarHBondContact O-N 3.23Å; R420-R422 PolarHBondContact O-N 2.62Å; R422-D425 PolarHBondContact O-N 3.44Å; R422-V426 VanDerWaalsContact O-CG2 3.29Å; R422-V426 WeakPolarHBondContact O-CG2 3.49Å; R422-V426 PolarHBondContact O-N 3.18Å
423M83Confident86.3Confident71 Ų7192.2 Ų92.235%0.3543%0.433SS..Hα-helixtrans-68.4-42.6179-166.2-173.6-67.800111.9D196 R419 R420 T421 D425 V426 S427D196-M423 HydrophobicContact CB-CE 4.22Å; R419-M423 PolarHBondContact O-N 3.46Å; R420-M423 PolarHBondContact O-N 3.28Å; T421-M423 VanDerWaalsContact C-N 3.28Å; T421-M423 PolarHBondContact O-N 2.89Å; M423-D425 VanDerWaalsContact C-N 3.3Å; M423-D425 PolarHBondContact O-N 3.33Å; M423-V426 PolarHBondContact O-N 3.35Å; M423-S427 PolarHBondContact O-N 2.8Å; M423-S427 PolarHBondContact O-OG 3.01Å; M423-S427 VanDerWaalsContact O-OG 3.12Å
424E88Confident86.2Confident75 Ų7588.7 Ų88.735%0.3542%0.416SS..Hα-helixtrans-59.2-42.1174.3-71.2170.5-176.600111.2R420 T421 S427 R428R420-E424 WeakPolarHBondContact CG-OE1 3.11Å; R420-E424 IonicContact CZ-OE1 2.87Å; R420-E424 IonicContact NE-OE1 2.64Å; R420-E424 PolarHBondContact NE-OE1 3.43Å; R420-E424 IonicContact NH2-OE1 2.77Å; R420-E424 WeakPolarHBondContact O-CG 3.38Å; R420-E424 PolarHBondContact O-N 3.23Å; T421-E424 PolarHBondContact O-N 3.36Å; E424-S427 PolarHBondContact O-N 2.63Å; E424-R428 WeakPolarHBondContact O-CG 3.49Å; E424-R428 PolarHBondContact O-N 3.2Å
425D88.4Confident86.2Confident13 Ų1385.1 Ų85.17%0.0741%0.406CS..Hα-helixtrans-68.7-38.9177.8-70.2-25.8000112.9T421 R422 M423 R428 L429 L443 V450T421-D425 WeakPolarHBondContact O-CB 3.17Å; T421-D425 VanDerWaalsContact O-CG 3.31Å; T421-D425 PolarHBondContact O-N 3.41Å; R422-D425 PolarHBondContact O-N 3.44Å; M423-D425 VanDerWaalsContact C-N 3.3Å; M423-D425 PolarHBondContact O-N 3.33Å; D425-R428 PolarHBondContact O-N 3.45Å; D425-R428 IonicContact OD1-CZ 3.68Å; D425-R428 IonicContact OD1-NH1 3.63Å; D425-R428 PolarHBondContact OD1-NH1 2.81Å; D425-L429 PolarHBondContact O-N 3.04Å; D425-L443 HydrophobicContact CB-CD1 3.88Å; D425-L443 HydrophobicContact CB-CD2 4.08Å; D425-V450 HydrophobicContact CB-CG2 3.72Å; D425-V450 VanDerWaalsContact OD1-CG2 3.28Å; D425-V450 WeakPolarHBondContact OD1-CG2 3.43Å
426V86.9Confident86.3Confident5 Ų586.5 Ų86.53%0.0341%0.408CS..Hα-helixtrans-61.9-46.1172.1170.90000110.2R422 M423 R428 L429 V430 R436 A439 A440 L443R422-V426 VanDerWaalsContact O-CG2 3.29Å; R422-V426 WeakPolarHBondContact O-CG2 3.49Å; R422-V426 PolarHBondContact O-N 3.18Å; M423-V426 PolarHBondContact O-N 3.35Å; V426-R428 VanDerWaalsContact C-N 3.31Å; V426-R428 PolarHBondContact O-N 2.88Å; V426-L429 PolarHBondContact O-N 3.45Å; V426-V430 HydrophobicContact CG1-CG2 4.32Å; V426-V430 WeakPolarHBondContact O-CG2 3.05Å; V426-V430 PolarHBondContact O-N 3.46Å; V426-R436 HydrophobicContact CG1-CG 3.82Å; V426-A439 HydrophobicContact CG1-CB 4.26Å; V426-A440 HydrophobicContact CG2-CB 4.08Å; V426-L443 HydrophobicContact CB-CD1 4.2Å; V426-L443 HydrophobicContact CG2-CD1 3.51Å
427S88.4Confident86.2Confident55 Ų5581.6 Ų81.639%0.38540%0.397SS..Hα-helixtrans-59.7-40.5178.7-65.60000112.2M423 E424 L429 V430 E431M423-S427 PolarHBondContact O-N 2.8Å; M423-S427 PolarHBondContact O-OG 3.01Å; M423-S427 VanDerWaalsContact O-OG 3.12Å; E424-S427 PolarHBondContact O-N 2.63Å; S427-L429 VanDerWaalsContact C-N 3.34Å; S427-L429 PolarHBondContact O-N 2.89Å; S427-V430 PolarHBondContact O-N 3.49Å; S427-V430 VanDerWaalsContact O-N 3.17Å; S427-E431 WeakPolarHBondContact O-CG 3.24Å; S427-E431 PolarHBondContact O-N 3.33Å
428R89.5Confident86.1Confident133 Ų13378.1 Ų78.150%0.50238%0.383SS..Hα-helixtrans-58.3-43.7174.7-74.4170.4178.1166.3-4.5112.6E424 D425 V426 V430 E431 L432E424-R428 WeakPolarHBondContact O-CG 3.49Å; E424-R428 PolarHBondContact O-N 3.2Å; D425-R428 PolarHBondContact O-N 3.45Å; D425-R428 IonicContact OD1-CZ 3.68Å; D425-R428 IonicContact OD1-NH1 3.63Å; D425-R428 PolarHBondContact OD1-NH1 2.81Å; V426-R428 VanDerWaalsContact C-N 3.31Å; V426-R428 PolarHBondContact O-N 2.88Å; R428-V430 VanDerWaalsContact C-N 3.35Å; R428-E431 PolarHBondContact O-N 3.27Å; R428-L432 WeakPolarHBondContact O-CG 3.19Å; R428-L432 PolarHBondContact O-N 3.46Å
429L88.9Confident86.3Confident0 Ų071.2 Ų71.20%036%0.357CS..Hα-helixtrans-70.2-33.3177.7-66.4177000112D425 V426 S427 L432 F434 A439 L443 V450 A453 S454 L457D425-L429 PolarHBondContact O-N 3.04Å; V426-L429 PolarHBondContact O-N 3.45Å; S427-L429 VanDerWaalsContact C-N 3.34Å; S427-L429 PolarHBondContact O-N 2.89Å; L429-L432 HydrophobicContact CD2-CD1 4.22Å; L429-L432 WeakPolarHBondContact O-CB 3.39Å; L429-L432 PolarHBondContact O-N 3.41Å; L429-F434 HydrophobicContact CB-CD2 4.48Å; L429-F434 WeakPolarHBondContact O-CD2 3.46Å; L429-F434 PolarHBondContact O-N 2.63Å; L429-A439 HydrophobicContact CB-CB 3.54Å; L429-A439 HydrophobicContact CD1-CB 3.99Å; L429-A439 HydrophobicContact CG-CB 4.43Å; L429-L443 HydrophobicContact CD1-CD1 3.66Å; L429-L443 HydrophobicContact CD1-CD2 4.16Å; L429-L443 HydrophobicContact CD1-CG 3.57Å; L429-V450 HydrophobicContact CD2-CG1 4.09Å; L429-V450 HydrophobicContact CG-CG1 4.46Å; L429-A453 HydrophobicContact CD1-CB 3.89Å; L429-S454 WeakPolarHBondContact CD2-OG 3.49Å; L429-L457 HydrophobicContact CD1-CD1 3.98Å; L429-L457 HydrophobicContact CD2-CD1 4.19Å; L429-L457 HydrophobicContact CG-CD1 4.48Å
430V89.4Confident86.5Confident59 Ų5966.1 Ų66.136%0.35834%0.338SS..Hα-helixtrans-66.9-39.9173.8173.30000111.4V426 S427 R428 L432 G433 F434 R436 A439V426-V430 HydrophobicContact CG1-CG2 4.32Å; V426-V430 WeakPolarHBondContact O-CG2 3.05Å; V426-V430 PolarHBondContact O-N 3.46Å; S427-V430 PolarHBondContact O-N 3.49Å; S427-V430 VanDerWaalsContact O-N 3.17Å; R428-V430 VanDerWaalsContact C-N 3.35Å; V430-L432 PolarHBondContact O-N 2.76Å; V430-G433 WeakPolarHBondContact O-CA 3.13Å; V430-G433 PolarHBondContact O-N 3.11Å; V430-F434 WeakPolarHBondContact CA-O 3.31Å; V430-R436 HydrophobicContact CG2-CB 3.89Å; V430-R436 HydrophobicContact CG2-CG 4.23Å; V430-A439 HydrophobicContact CG2-CB 4.31Å
431E90.6Very high86.4Confident165 Ų16564.1 Ų64.177%0.77133%0.33SS*.Hα-helixtrans-60.9-28.8173.2-73.9172.2-172.400112.4S427 R428 G433S427-E431 WeakPolarHBondContact O-CG 3.24Å; S427-E431 PolarHBondContact O-N 3.33Å; R428-E431 PolarHBondContact O-N 3.27Å; E431-G433 PolarHBondContact O-N 2.75Å
432L88.1Confident86.4Confident118 Ų11861.3 Ų61.362%0.61831%0.313SS*.THydrogen-bonded Turntrans-76.2-1.5172.5-65.5173000113.6R428 L429 V430 F434R428-L432 WeakPolarHBondContact O-CG 3.19Å; R428-L432 PolarHBondContact O-N 3.46Å; L429-L432 HydrophobicContact CD2-CD1 4.22Å; L429-L432 WeakPolarHBondContact O-CB 3.39Å; L429-L432 PolarHBondContact O-N 3.41Å; V430-L432 PolarHBondContact O-N 2.76Å; L432-F434 HydrophobicContact CB-CD2 4.03Å; L432-F434 HydrophobicContact CB-CE2 4.05Å
433G86.3Confident86.5Confident69 Ų6958.5 Ų58.571%0.71130%0.303SS*.THydrogen-bonded Turntrans96.25.1175.200000114.9V430 E431V430-G433 WeakPolarHBondContact O-CA 3.13Å; V430-G433 PolarHBondContact O-N 3.11Å; E431-G433 PolarHBondContact O-N 2.75Å
434F87.5Confident86.3Confident45 Ų4561.1 Ų61.120%0.19731%0.314CS..  trans-78.7150.2174.1-59.9-69.1000111.2L429 V430 L432 L457 L458L429-F434 HydrophobicContact CB-CD2 4.48Å; L429-F434 WeakPolarHBondContact O-CD2 3.46Å; L429-F434 PolarHBondContact O-N 2.63Å; V430-F434 WeakPolarHBondContact CA-O 3.31Å; L432-F434 HydrophobicContact CB-CD2 4.03Å; L432-F434 HydrophobicContact CB-CE2 4.05Å; F434-L457 HydrophobicContact CB-CD1 4.21Å; F434-L457 HydrophobicContact CD1-CB 3.93Å; F434-L457 HydrophobicContact CD1-CD1 4.18Å; F434-L457 HydrophobicContact CD1-CD2 4.32Å; F434-L457 HydrophobicContact CD1-CG 4.37Å; F434-L457 HydrophobicContact CD2-CB 4.49Å; F434-L457 HydrophobicContact CD2-CD1 3.71Å; F434-L457 HydrophobicContact CE1-CB 3.65Å; F434-L457 HydrophobicContact CE2-CB 4.24Å; F434-L457 HydrophobicContact CE2-CD1 4.09Å; F434-L457 HydrophobicContact CG-CB 4.35Å; F434-L457 HydrophobicContact CG-CD1 3.76Å; F434-L457 HydrophobicContact CG-CG 4.43Å; F434-L457 HydrophobicContact CZ-CB 3.82Å; F434-L457 HydrophobicContact CZ-CD1 4.49Å; F434-L458 HydrophobicContact CZ-CD2 4.02Å; F434-L458 HydrophobicContact CZ-CG 4.25Å
435S87.1Confident85.9Confident49 Ų4965.4 Ų65.434%0.34333%0.327SS..  trans-64147.8172.583.20000110T437 D438 A439S435-T437 PolarHBondContact O-N 3.22Å; S435-T437 PolarHBondContact OG-OG1 3.38Å; S435-T437 VanDerWaalsContact OG-OG1 3.12Å; S435-D438 PolarHBondContact O-N 2.85Å; S435-D438 VanDerWaalsContact OG-CB 3.29Å; S435-D438 WeakPolarHBondContact OG-CB 3.24Å; S435-D438 PolarHBondContact OG-N 3.31Å; S435-D438 VanDerWaalsContact OG-N 3.12Å; S435-D438 PolarHBondContact OG-OD2 3.03Å; S435-A439 WeakPolarHBondContact O-CB 3.18Å; S435-A439 PolarHBondContact O-N 2.88Å
436R84.9Confident85.7Confident111 Ų11165.2 Ų65.242%0.41933%0.327SS..Hα-helixtrans-58.5-36.7-179.5-172.7176.3-177.81644.2112.5S194 V426 V430 A440S194-R436 PolarHBondContact O-NE 3.46Å; V426-R436 HydrophobicContact CG1-CG 3.82Å; V430-R436 HydrophobicContact CG2-CB 3.89Å; V430-R436 HydrophobicContact CG2-CG 4.23Å; R436-A440 WeakPolarHBondContact O-CB 3.08Å; R436-A440 PolarHBondContact O-N 3.07Å
437T81.2Confident85.3Confident64 Ų6472.1 Ų72.139%0.39336%0.359SS..Hα-helixtrans-70.3-42.3178.749.10000111.5S435 R441S435-T437 PolarHBondContact O-N 3.22Å; S435-T437 PolarHBondContact OG-OG1 3.38Å; S435-T437 VanDerWaalsContact OG-OG1 3.12Å; T437-R441 WeakPolarHBondContact O-CB 3.35Å; T437-R441 VanDerWaalsContact O-CG 3.3Å; T437-R441 WeakPolarHBondContact O-CG 3.24Å; T437-R441 PolarHBondContact O-N 2.85Å
438D85.1Confident84.8Confident60 Ų6071.7 Ų71.732%0.32136%0.363SS..Hα-helixtrans-65.7-45.8175.5-64.9-35000111.3S435 A440 R441 A442 L457S435-D438 PolarHBondContact O-N 2.85Å; S435-D438 VanDerWaalsContact OG-CB 3.29Å; S435-D438 WeakPolarHBondContact OG-CB 3.24Å; S435-D438 PolarHBondContact OG-N 3.31Å; S435-D438 VanDerWaalsContact OG-N 3.12Å; S435-D438 PolarHBondContact OG-OD2 3.03Å; D438-A440 VanDerWaalsContact C-N 3.35Å; D438-A440 PolarHBondContact O-N 3.4Å; D438-R441 PolarHBondContact O-N 3.19Å; D438-R441 IonicContact OD1-CZ 2.84Å; D438-R441 IonicContact OD1-NE 3.38Å; D438-R441 IonicContact OD1-NH2 3.52Å; D438-R441 PolarHBondContact OD1-NH2 2.8Å; D438-A442 VanDerWaalsContact O-CB 3.29Å; D438-A442 WeakPolarHBondContact O-CB 3.23Å; D438-A442 PolarHBondContact O-N 3.45Å; D438-L457 HydrophobicContact CB-CD2 3.67Å
439A87.6Confident84.6Confident0 Ų067.8 Ų67.80%035%0.352CS..Hα-helixtrans-53.4-50.1175.100000112V426 L429 V430 S435 A442 L443V426-A439 HydrophobicContact CG1-CB 4.26Å; L429-A439 HydrophobicContact CB-CB 3.54Å; L429-A439 HydrophobicContact CD1-CB 3.99Å; L429-A439 HydrophobicContact CG-CB 4.43Å; V430-A439 HydrophobicContact CG2-CB 4.31Å; S435-A439 WeakPolarHBondContact O-CB 3.18Å; S435-A439 PolarHBondContact O-N 2.88Å; A439-A442 PolarHBondContact O-N 3.41Å; A439-L443 WeakPolarHBondContact O-CB 3.41Å; A439-L443 WeakPolarHBondContact O-CG 3.26Å; A439-L443 PolarHBondContact O-N 3.47Å
440A82.9Confident84.6Confident1 Ų169.2 Ų69.21%0.00836%0.361CS..Hα-helixtrans-66.3-41179.300000113.1V426 R436 D438 L443 H444V426-A440 HydrophobicContact CG2-CB 4.08Å; R436-A440 WeakPolarHBondContact O-CB 3.08Å; R436-A440 PolarHBondContact O-N 3.07Å; D438-A440 VanDerWaalsContact C-N 3.35Å; D438-A440 PolarHBondContact O-N 3.4Å; A440-L443 PolarHBondContact O-N 2.77Å; A440-H444 WeakPolarHBondContact O-CB 3.4Å; A440-H444 PolarHBondContact O-N 2.81Å
441R81.8Confident84.5Confident128 Ų12872.7 Ų72.748%0.48338%0.377SS..Hα-helixtrans-64.4-41.7175.9-75-171.2-62.1-176-0.2111.8T437 D438 H444 R445T437-R441 WeakPolarHBondContact O-CB 3.35Å; T437-R441 VanDerWaalsContact O-CG 3.3Å; T437-R441 WeakPolarHBondContact O-CG 3.24Å; T437-R441 PolarHBondContact O-N 2.85Å; D438-R441 PolarHBondContact O-N 3.19Å; D438-R441 IonicContact OD1-CZ 2.84Å; D438-R441 IonicContact OD1-NE 3.38Å; D438-R441 IonicContact OD1-NH2 3.52Å; D438-R441 PolarHBondContact OD1-NH2 2.8Å; R441-H444 PolarHBondContact O-N 2.82Å; R441-R445 WeakPolarHBondContact O-CG 3.28Å; R441-R445 PolarHBondContact O-N 3.24Å
442A85.6Confident84.4Confident3 Ų370.6 Ų70.63%0.02537%0.366CS..Hα-helixtrans-66.3-43.5177.400000111.7D438 A439 H444 R445 A446 A453 I456 L457D438-A442 VanDerWaalsContact O-CB 3.29Å; D438-A442 WeakPolarHBondContact O-CB 3.23Å; D438-A442 PolarHBondContact O-N 3.45Å; A439-A442 PolarHBondContact O-N 3.41Å; A442-H444 VanDerWaalsContact C-N 3.32Å; A442-H444 PolarHBondContact O-N 3.09Å; A442-R445 PolarHBondContact O-N 3.37Å; A442-A446 VanDerWaalsContact O-CB 3.23Å; A442-A446 WeakPolarHBondContact O-CB 3.4Å; A442-A446 PolarHBondContact O-N 2.93Å; A442-A453 HydrophobicContact CB-CB 4.06Å; A442-I456 HydrophobicContact CB-CB 4.48Å; A442-I456 HydrophobicContact CB-CG2 4.31Å; A442-L457 HydrophobicContact CB-CD1 3.84Å; A442-L457 HydrophobicContact CB-CD2 3.69Å; A442-L457 HydrophobicContact CB-CG 3.47Å; A442-L457 VanDerWaalsContact CB-CG 3.47Å
443L84.5Confident84.5Confident5 Ų565 Ų653%0.02634%0.337CS..Hα-helixtrans-61.1-40.1173.7-80.7165.2000112.6D425 V426 L429 A439 A440 A446 Q447 G448 V450 A453D425-L443 HydrophobicContact CB-CD1 3.88Å; D425-L443 HydrophobicContact CB-CD2 4.08Å; V426-L443 HydrophobicContact CB-CD1 4.2Å; V426-L443 HydrophobicContact CG2-CD1 3.51Å; L429-L443 HydrophobicContact CD1-CD1 3.66Å; L429-L443 HydrophobicContact CD1-CD2 4.16Å; L429-L443 HydrophobicContact CD1-CG 3.57Å; A439-L443 WeakPolarHBondContact O-CB 3.41Å; A439-L443 WeakPolarHBondContact O-CG 3.26Å; A439-L443 PolarHBondContact O-N 3.47Å; A440-L443 PolarHBondContact O-N 2.77Å; L443-A446 CarbonylContact O-C 3.52Å; L443-A446 PolarHBondContact O-N 3.46Å; L443-Q447 PolarHBondContact O-N 3.3Å; L443-G448 PolarHBondContact O-N 3.21Å; L443-V450 HydrophobicContact CD2-CG2 4.17Å; L443-A453 HydrophobicContact CB-CB 4.49Å; L443-A453 HydrophobicContact CD2-CB 3.76Å; L443-A453 HydrophobicContact CG-CB 3.88Å
444H79.4Confident84.5Confident125 Ų12562.7 Ų62.758%0.57931%0.31SS*.Hα-helixtrans-62.1-44.2175-176.9-80.8000111.5A440 R441 A442 A446 Q447A440-H444 WeakPolarHBondContact O-CB 3.4Å; A440-H444 PolarHBondContact O-N 2.81Å; R441-H444 PolarHBondContact O-N 2.82Å; A442-H444 VanDerWaalsContact C-N 3.32Å; A442-H444 PolarHBondContact O-N 3.09Å; H444-A446 VanDerWaalsContact C-N 3.32Å; H444-A446 PolarHBondContact O-N 3.05Å; H444-Q447 PolarHBondContact O-N 3Å
445R79.9Confident84.5Confident165 Ų16563.3 Ų63.362%0.62332%0.323SS*.Hα-helixtrans-65-36.3175.2-71.2174.9179.7172.50.4112.3R441 A442 Q447 I456R441-R445 WeakPolarHBondContact O-CG 3.28Å; R441-R445 PolarHBondContact O-N 3.24Å; A442-R445 PolarHBondContact O-N 3.37Å; R445-Q447 VanDerWaalsContact C-N 3.27Å; R445-Q447 PolarHBondContact O-N 3.43Å; R445-I456 HydrophobicContact CB-CD1 3.85Å
446A83.7Confident84.6Confident9 Ų963.2 Ų63.27%0.07432%0.318CS..THydrogen-bonded Turntrans-80.5-0.9178.800000114.3A442 L443 H444 G448 D449 K452 A453 I456A442-A446 VanDerWaalsContact O-CB 3.23Å; A442-A446 WeakPolarHBondContact O-CB 3.4Å; A442-A446 PolarHBondContact O-N 2.93Å; L443-A446 CarbonylContact O-C 3.52Å; L443-A446 PolarHBondContact O-N 3.46Å; H444-A446 VanDerWaalsContact C-N 3.32Å; H444-A446 PolarHBondContact O-N 3.05Å; A446-G448 VanDerWaalsContact C-N 3.27Å; A446-G448 PolarHBondContact O-N 3.03Å; A446-D449 HydrophobicContact CB-CB 4.38Å; A446-D449 VanDerWaalsContact CB-O 3.24Å; A446-D449 WeakPolarHBondContact CB-O 3.41Å; A446-D449 WeakPolarHBondContact O-CB 3.46Å; A446-D449 PolarHBondContact O-N 3.48Å; A446-K452 HydrophobicContact CB-CB 3.75Å; A446-A453 HydrophobicContact CB-CB 3.81Å; A446-I456 HydrophobicContact CB-CD1 4.21Å
447Q78.9Confident84.7Confident151 Ų15158.6 Ų58.671%0.70630%0.301SS*.THydrogen-bonded Turntrans56.938.1-177.1-57.1176.415.100113.2K214 L443 H444 R445K214-Q447 VanDerWaalsContact NZ-NE2 3.17Å; L443-Q447 PolarHBondContact O-N 3.3Å; H444-Q447 PolarHBondContact O-N 3Å; R445-Q447 VanDerWaalsContact C-N 3.27Å; R445-Q447 PolarHBondContact O-N 3.43Å
448G77.2Confident84.9Confident46 Ų4660 Ų6047%0.47431%0.306SS..THydrogen-bonded Turntrans82.79.3179.400000114.8L443 A446L443-G448 PolarHBondContact O-N 3.21Å; A446-G448 VanDerWaalsContact C-N 3.27Å; A446-G448 PolarHBondContact O-N 3.03Å
449D85.9Confident84.6Confident51 Ų5162.7 Ų62.727%0.27332%0.32SS..  trans-88.4111.3173.9-175.1-36.3000110.3A446 D451 K452 A453A446-D449 HydrophobicContact CB-CB 4.38Å; A446-D449 VanDerWaalsContact CB-O 3.24Å; A446-D449 WeakPolarHBondContact CB-O 3.41Å; A446-D449 WeakPolarHBondContact O-CB 3.46Å; A446-D449 PolarHBondContact O-N 3.48Å; D449-D451 VanDerWaalsContact C-N 3.34Å; D449-D451 PolarHBondContact O-N 2.83Å; D449-D451 PolarHBondContact OD1-N 2.94Å; D449-D451 VanDerWaalsContact OD1-N 3.09Å; D449-K452 HydrophobicContact CB-CB 4.02Å; D449-K452 HydrophobicContact CB-CD 4.16Å; D449-K452 HydrophobicContact CB-CG 4.17Å; D449-K452 PolarHBondContact O-N 3.44Å; D449-K452 PolarHBondContact OD1-N 3.27Å; D449-K452 IonicContact OD2-NZ 3.62Å; D449-K452 PolarHBondContact OD2-NZ 3.39Å; D449-A453 VanDerWaalsContact O-CB 3.3Å; D449-A453 WeakPolarHBondContact O-CB 3.32Å; D449-A453 PolarHBondContact O-N 3.4Å
450V88.6Confident83.5Confident30 Ų3065.3 Ų65.318%0.18234%0.339CS..Hα-helixtrans-64.2-37.3-176-177.80000112.1D425 L429 L443 A453 S454D425-V450 HydrophobicContact CB-CG2 3.72Å; D425-V450 VanDerWaalsContact OD1-CG2 3.28Å; D425-V450 WeakPolarHBondContact OD1-CG2 3.43Å; L429-V450 HydrophobicContact CD2-CG1 4.09Å; L429-V450 HydrophobicContact CG-CG1 4.46Å; L443-V450 HydrophobicContact CD2-CG2 4.17Å; V450-A453 PolarHBondContact O-N 3.03Å; V450-S454 WeakPolarHBondContact O-CB 3.49Å; V450-S454 PolarHBondContact O-N 3.01Å; V450-S454 PolarHBondContact O-OG 2.7Å
451D87.8Confident82.2Confident131 Ų13168.7 Ų68.770%0.70136%0.362SS*.Hα-helixtrans-70.5-44.6-178-63.9-40.3000110.1D449 A453 S454 A455D449-D451 VanDerWaalsContact C-N 3.34Å; D449-D451 PolarHBondContact O-N 2.83Å; D449-D451 PolarHBondContact OD1-N 2.94Å; D449-D451 VanDerWaalsContact OD1-N 3.09Å; D451-A453 VanDerWaalsContact C-N 3.34Å; D451-A453 PolarHBondContact O-N 3.21Å; D451-S454 PolarHBondContact O-N 3.21Å; D451-A455 PolarHBondContact O-N 2.93Å
452K88.3Confident80.6Confident122 Ų12270.4 Ų70.453%0.5338%0.376SS..Hα-helixtrans-63.7-39.3173.1-70.5-172-172.7103.40111.9A446 D449 A455 I456A446-K452 HydrophobicContact CB-CB 3.75Å; D449-K452 HydrophobicContact CB-CB 4.02Å; D449-K452 HydrophobicContact CB-CD 4.16Å; D449-K452 HydrophobicContact CB-CG 4.17Å; D449-K452 PolarHBondContact O-N 3.44Å; D449-K452 PolarHBondContact OD1-N 3.27Å; D449-K452 IonicContact OD2-NZ 3.62Å; D449-K452 PolarHBondContact OD2-NZ 3.39Å; K452-A455 PolarHBondContact O-N 2.99Å; K452-I456 VanDerWaalsContact O-CG1 3.28Å; K452-I456 WeakPolarHBondContact O-CG1 3.29Å; K452-I456 PolarHBondContact O-N 2.92Å
453A89.5Confident78.5Confident0 Ų075 Ų750%040%0.404CS..Hα-helixtrans-63.1-43.8176.800000111.2L429 A442 L443 A446 D449 V450 D451 A455 I456 L457L429-A453 HydrophobicContact CD1-CB 3.89Å; A442-A453 HydrophobicContact CB-CB 4.06Å; L443-A453 HydrophobicContact CB-CB 4.49Å; L443-A453 HydrophobicContact CD2-CB 3.76Å; L443-A453 HydrophobicContact CG-CB 3.88Å; A446-A453 HydrophobicContact CB-CB 3.81Å; D449-A453 VanDerWaalsContact O-CB 3.3Å; D449-A453 WeakPolarHBondContact O-CB 3.32Å; D449-A453 PolarHBondContact O-N 3.4Å; V450-A453 PolarHBondContact O-N 3.03Å; D451-A453 VanDerWaalsContact C-N 3.34Å; D451-A453 PolarHBondContact O-N 3.21Å; A453-A455 VanDerWaalsContact C-N 3.33Å; A453-A455 PolarHBondContact O-N 3.33Å; A453-I456 PolarHBondContact O-N 3.12Å; A453-L457 VanDerWaalsContact O-CG 3.31Å; A453-L457 WeakPolarHBondContact O-CG 2.98Å; A453-L457 PolarHBondContact O-N 3.44Å
454S87.3Confident76.2Confident21 Ų2178.4 Ų78.415%0.14743%0.428CS..Hα-helixtrans-59.5-44.1175-57.10000111.2L429 V450 D451 I456 L457 L458L429-S454 WeakPolarHBondContact CD2-OG 3.49Å; V450-S454 WeakPolarHBondContact O-CB 3.49Å; V450-S454 PolarHBondContact O-N 3.01Å; V450-S454 PolarHBondContact O-OG 2.7Å; D451-S454 PolarHBondContact O-N 3.21Å; S454-I456 PolarHBondContact O-N 3.05Å; S454-L457 PolarHBondContact O-N 3.34Å; S454-L458 WeakPolarHBondContact O-CB 3.32Å; S454-L458 VanDerWaalsContact O-CG 3.25Å; S454-L458 WeakPolarHBondContact O-CG 3.36Å; S454-L458 PolarHBondContact O-N 3.44Å
455A87.8Confident74.6Confident57 Ų5778 Ų7847%0.47144%0.436SS..Hα-helixtrans-61.1-44.2175.800000112.3D451 K452 A453 L457 L458 D459D451-A455 PolarHBondContact O-N 2.93Å; K452-A455 PolarHBondContact O-N 2.99Å; A453-A455 VanDerWaalsContact C-N 3.33Å; A453-A455 PolarHBondContact O-N 3.33Å; A455-L457 VanDerWaalsContact C-N 3.32Å; A455-L457 PolarHBondContact O-N 2.87Å; A455-L458 PolarHBondContact O-N 3.49Å; A455-D459 WeakPolarHBondContact O-CB 3.28Å; A455-D459 PolarHBondContact O-N 3.18Å
456I87.9Confident72.9Confident48 Ų4879 Ų7925%0.24645%0.448CS..Hα-helixtrans-60.5-42.8176.2-68.2165.1000110.8A442 R445 A446 K452 A453 S454 D459 S460A442-I456 HydrophobicContact CB-CB 4.48Å; A442-I456 HydrophobicContact CB-CG2 4.31Å; R445-I456 HydrophobicContact CB-CD1 3.85Å; A446-I456 HydrophobicContact CB-CD1 4.21Å; K452-I456 VanDerWaalsContact O-CG1 3.28Å; K452-I456 WeakPolarHBondContact O-CG1 3.29Å; K452-I456 PolarHBondContact O-N 2.92Å; A453-I456 PolarHBondContact O-N 3.12Å; S454-I456 PolarHBondContact O-N 3.05Å; I456-D459 PolarHBondContact O-N 3.36Å; I456-S460 WeakPolarHBondContact O-CB 3.2Å; I456-S460 PolarHBondContact O-N 2.7Å; I456-S460 PolarHBondContact O-OG 3.49Å
457L88.1Confident71.1Confident13 Ų1384.4 Ų84.47%0.06848%0.476CS..Hα-helixtrans-65.7-42.9179.8-71.4166.2000112.1L429 F434 D438 A442 A453 S454 A455 S460 S461L429-L457 HydrophobicContact CD1-CD1 3.98Å; L429-L457 HydrophobicContact CD2-CD1 4.19Å; L429-L457 HydrophobicContact CG-CD1 4.48Å; F434-L457 HydrophobicContact CB-CD1 4.21Å; F434-L457 HydrophobicContact CD1-CB 3.93Å; F434-L457 HydrophobicContact CD1-CD1 4.18Å; F434-L457 HydrophobicContact CD1-CD2 4.32Å; F434-L457 HydrophobicContact CD1-CG 4.37Å; F434-L457 HydrophobicContact CD2-CB 4.49Å; F434-L457 HydrophobicContact CD2-CD1 3.71Å; F434-L457 HydrophobicContact CE1-CB 3.65Å; F434-L457 HydrophobicContact CE2-CB 4.24Å; F434-L457 HydrophobicContact CE2-CD1 4.09Å; F434-L457 HydrophobicContact CG-CB 4.35Å; F434-L457 HydrophobicContact CG-CD1 3.76Å; F434-L457 HydrophobicContact CG-CG 4.43Å; F434-L457 HydrophobicContact CZ-CB 3.82Å; F434-L457 HydrophobicContact CZ-CD1 4.49Å; D438-L457 HydrophobicContact CB-CD2 3.67Å; A442-L457 HydrophobicContact CB-CD1 3.84Å; A442-L457 HydrophobicContact CB-CD2 3.69Å; A442-L457 HydrophobicContact CB-CG 3.47Å; A442-L457 VanDerWaalsContact CB-CG 3.47Å; A453-L457 VanDerWaalsContact O-CG 3.31Å; A453-L457 WeakPolarHBondContact O-CG 2.98Å; A453-L457 PolarHBondContact O-N 3.44Å; S454-L457 PolarHBondContact O-N 3.34Å; A455-L457 VanDerWaalsContact C-N 3.32Å; A455-L457 PolarHBondContact O-N 2.87Å; L457-S460 PolarHBondContact O-N 2.92Å; L457-S461 WeakPolarHBondContact O-CB 3.36Å; L457-S461 PolarHBondContact O-N 3.23Å
458L85.8Confident69.8Low94 Ų9480.9 Ų80.949%0.49247%0.472SS..Hα-helixtrans-65.7-41.4177.8-69.5168.2000111.6F434 S454 A455 S461 Q462F434-L458 HydrophobicContact CZ-CD2 4.02Å; F434-L458 HydrophobicContact CZ-CG 4.25Å; S454-L458 WeakPolarHBondContact O-CB 3.32Å; S454-L458 VanDerWaalsContact O-CG 3.25Å; S454-L458 WeakPolarHBondContact O-CG 3.36Å; S454-L458 PolarHBondContact O-N 3.44Å; A455-L458 PolarHBondContact O-N 3.49Å; L458-S461 PolarHBondContact O-N 3.31Å; L458-S461 PolarHBondContact O-OG 2.77Å; L458-Q462 PolarHBondContact O-N 3.01Å
459D78.3Confident69Low116 Ų11680.2 Ų80.262%0.6246%0.459SS*.Hα-helixtrans-66.6-40177.5-155.331.4000111.5A455 I456 S461 Q462 T463A455-D459 WeakPolarHBondContact O-CB 3.28Å; A455-D459 PolarHBondContact O-N 3.18Å; I456-D459 PolarHBondContact O-N 3.36Å; D459-S461 VanDerWaalsContact C-N 3.3Å; D459-S461 PolarHBondContact O-N 2.97Å; D459-Q462 PolarHBondContact O-N 3.46Å; D459-T463 PolarHBondContact O-OG1 3.34Å
460S65.1Low68.1Low55 Ų5580.8 Ų80.839%0.38547%0.466SS..Hα-helixtrans-63.6-35175.2-51.60000112.7I456 L457 Q462 T463I456-S460 WeakPolarHBondContact O-CB 3.2Å; I456-S460 PolarHBondContact O-N 2.7Å; I456-S460 PolarHBondContact O-OG 3.49Å; L457-S460 PolarHBondContact O-N 2.92Å; S460-Q462 VanDerWaalsContact C-N 3.27Å; S460-Q462 PolarHBondContact O-N 2.97Å; S460-T463 CarbonylContact O-C 3.56Å; S460-T463 PolarHBondContact O-N 2.96Å; S460-T463 PolarHBondContact O-OG1 3.38Å; S460-T463 VanDerWaalsContact O-OG1 3.14Å
461S55.1Low67.4Low72 Ų7283.4 Ų83.450%0.50348%0.484SS..Hα-helixtrans-72.4-17.7178.573.30000113.7L457 L458 D459 T463L457-S461 WeakPolarHBondContact O-CB 3.36Å; L457-S461 PolarHBondContact O-N 3.23Å; L458-S461 PolarHBondContact O-N 3.31Å; L458-S461 PolarHBondContact O-OG 2.77Å; D459-S461 VanDerWaalsContact C-N 3.3Å; D459-S461 PolarHBondContact O-N 2.97Å; S461-T463 VanDerWaalsContact C-N 3.34Å
462Q48.6Very low66.9Low164 Ų16484.4 Ų84.477%0.76648%0.484SS*.THydrogen-bonded Turntrans-85.7-7.2172.1-64-166.114.400112.9L458 D459 S460L458-Q462 PolarHBondContact O-N 3.01Å; D459-Q462 PolarHBondContact O-N 3.46Å; S460-Q462 VanDerWaalsContact C-N 3.27Å; S460-Q462 PolarHBondContact O-N 2.97Å
463T41.5Very low66.4Low101 Ų10182.2 Ų82.262%0.6248%0.475SS*.  trans-122.755.5-18053.20000112.8D459 S460 S461 P465D459-T463 PolarHBondContact O-OG1 3.34Å; S460-T463 CarbonylContact O-C 3.56Å; S460-T463 PolarHBondContact O-N 2.96Å; S460-T463 PolarHBondContact O-OG1 3.38Å; S460-T463 VanDerWaalsContact O-OG1 3.14Å; S461-T463 VanDerWaalsContact C-N 3.34Å; T463-P465 VanDerWaalsContact C-CD 3.46Å; T463-P465 WeakPolarHBondContact O-CD 3.49Å
464S36.7Very low65.9Low76 Ų7682.3 Ų82.353%0.53148%0.475SS..  trans-95.389.8163.249.90000110.9Q466S464-Q466 PolarHBondContact O-N 2.91Å; S464-Q466 VanDerWaalsContact O-N 3.07Å
465P43.9Very low65.6Low115 Ų11587.1 Ų87.175%0.74750%0.496SS*.THydrogen-bonded Turntrans-80.427.9173.536.2-36.4000112.3T463T463-P465 VanDerWaalsContact C-CD 3.46Å; T463-P465 WeakPolarHBondContact O-CD 3.49Å
466Q45Very low65.4Low186 Ų18689.5 Ų89.587%0.86950%0.497SS*.THydrogen-bonded Turntrans-105.6-10.4177.2-73.2-169.2-2700113.9S464S464-Q466 PolarHBondContact O-N 2.91Å; S464-Q466 VanDerWaalsContact O-N 3.07Å
467D46.5Very low65Low124 Ų12487.2 Ų87.266%0.66349%0.485SS*.THydrogen-bonded Turntrans-121.9-8.1173.8-80.5-40.4000114.7V469D467-V469 PolarHBondContact O-N 3.45Å
468A51.6Low64.9Low76 Ų7689.2 Ų89.263%0.62850%0.496SS*.  trans-90.996.3-179.800000111.1C470A468-C470 PolarHBondContact O-N 2.97Å
469V59Low64.8Low32 Ų3295 Ų9519%0.19451%0.512CS..  trans-58.7126.4170.2-174.10000109.3D467 V474 L491 R492D467-V469 PolarHBondContact O-N 3.45Å; V469-V474 HydrophobicContact CB-CG2 4.27Å; V469-V474 HydrophobicContact CG1-CG2 3.47Å; V469-V474 VanDerWaalsContact CG1-CG2 3.47Å; V469-L491 HydrophobicContact CG1-CB 3.5Å; V469-L491 VanDerWaalsContact CG1-CB 3.5Å; V469-L491 HydrophobicContact CG1-CD1 3.52Å; V469-L491 HydrophobicContact CG1-CG 4.12Å; V469-L491 HydrophobicContact CG2-CB 4.42Å; V469-R492 HydrophobicContact CG2-CG 3.46Å; V469-R492 VanDerWaalsContact CG2-CG 3.46Å
470C68.8Low64.9Low63 Ų6394.4 Ų94.443%0.42651%0.509SS..  trans-58.6122.4179.6-60.30000110.7A468 E472 K473 V474A468-C470 PolarHBondContact O-N 2.97Å; C470-E472 VanDerWaalsContact C-N 3.27Å; C470-E472 PolarHBondContact O-N 3.25Å; C470-K473 HydrophobicContact CB-CB 4.32Å; C470-K473 HydrophobicContact CB-CD 4.02Å; C470-K473 HydrophobicContact CB-CG 4.03Å; C470-K473 WeakPolarHBondContact O-CB 3.38Å; C470-K473 PolarHBondContact O-N 3.05Å; C470-V474 PolarHBondContact O-N 3.39Å
471P72.6Confident65.5Low86 Ų8694.9 Ų94.956%0.55852%0.523SS*.Hα-helixtrans-62.5-32.3-172.322.3-32.3000113.2K473 V474 E475P471-K473 VanDerWaalsContact C-N 3.31Å; P471-K473 PolarHBondContact O-N 3.26Å; P471-V474 WeakPolarHBondContact O-CB 3.4Å; P471-V474 PolarHBondContact O-N 2.87Å; P471-E475 PolarHBondContact O-N 2.93Å
472E77.3Confident66.8Low151 Ų15193 Ų9371%0.70651%0.505SS*.Hα-helixtrans-64-34.8176.4-63172.5177.200112.5C470 E475 Q476C470-E472 VanDerWaalsContact C-N 3.27Å; C470-E472 PolarHBondContact O-N 3.25Å; E472-E475 PolarHBondContact O-N 3.47Å; E472-Q476 WeakPolarHBondContact O-CG 3.3Å; E472-Q476 PolarHBondContact O-N 3.24Å; E472-Q476 VanDerWaalsContact O-N 3.14Å
473K78.4Confident68.3Low76 Ų7692.4 Ų92.433%0.3350%0.503SS..Hα-helixtrans-74.9-33177.9-66-175.5177.7-179.60111.7C470 P471 Q476 L477 L491 G496 V498C470-K473 HydrophobicContact CB-CB 4.32Å; C470-K473 HydrophobicContact CB-CD 4.02Å; C470-K473 HydrophobicContact CB-CG 4.03Å; C470-K473 WeakPolarHBondContact O-CB 3.38Å; C470-K473 PolarHBondContact O-N 3.05Å; P471-K473 VanDerWaalsContact C-N 3.31Å; P471-K473 PolarHBondContact O-N 3.26Å; K473-Q476 PolarHBondContact O-N 3.45Å; K473-L477 PolarHBondContact O-N 2.76Å; K473-L491 HydrophobicContact CB-CD1 4.09Å; K473-L491 HydrophobicContact CB-CD2 4.46Å; K473-G496 VanDerWaalsContact CD-O 3.29Å; K473-G496 WeakPolarHBondContact CD-O 3.25Å; K473-G496 PolarHBondContact NZ-O 2.75Å; K473-V498 HydrophobicContact CB-CG2 3.78Å; K473-V498 HydrophobicContact CD-CG2 3.91Å; K473-V498 HydrophobicContact CG-CG2 3.79Å
474V79.4Confident70.1Confident2 Ų293.3 Ų93.31%0.01250%0.495CS..Hα-helixtrans-65.2-43.1171.5-177.70000109.9V469 C470 P471 Q476 L477 L478 R484 E488 L491V469-V474 HydrophobicContact CB-CG2 4.27Å; V469-V474 HydrophobicContact CG1-CG2 3.47Å; V469-V474 VanDerWaalsContact CG1-CG2 3.47Å; C470-V474 PolarHBondContact O-N 3.39Å; P471-V474 WeakPolarHBondContact O-CB 3.4Å; P471-V474 PolarHBondContact O-N 2.87Å; V474-Q476 VanDerWaalsContact C-N 3.32Å; V474-Q476 PolarHBondContact O-N 3.37Å; V474-L477 PolarHBondContact O-N 2.89Å; V474-L478 HydrophobicContact CG1-CD1 4.14Å; V474-L478 HydrophobicContact CG1-CG 4.38Å; V474-L478 VanDerWaalsContact O-CG 3.3Å; V474-L478 WeakPolarHBondContact O-CG 3.42Å; V474-L478 PolarHBondContact O-N 3.48Å; V474-R484 HydrophobicContact CG1-CG 4.14Å; V474-E488 HydrophobicContact CB-CG 4.47Å; V474-E488 HydrophobicContact CG1-CG 3.73Å; V474-E488 HydrophobicContact CG2-CG 3.81Å; V474-L491 HydrophobicContact CB-CD1 4.48Å; V474-L491 HydrophobicContact CG2-CD1 3.83Å
475E81Confident72.1Confident122 Ų12293.1 Ų93.157%0.5750%0.498SS*.Hα-helixtrans-62.3-35.6176.3-78-174.2173.300113.3P471 E472 L478 Y479P471-E475 PolarHBondContact O-N 2.93Å; E472-E475 PolarHBondContact O-N 3.47Å; E475-L478 PolarHBondContact O-N 3.43Å; E475-Y479 WeakPolarHBondContact O-CB 3.42Å; E475-Y479 PolarHBondContact O-N 2.99Å
476Q82.5Confident73.8Confident107 Ų10788.6 Ų88.650%0.547%0.468SS..Hα-helixtrans-62-42.6173.2-74.7176.8-6.700112.4E472 K473 V474 Y479 L480E472-Q476 WeakPolarHBondContact O-CG 3.3Å; E472-Q476 PolarHBondContact O-N 3.24Å; E472-Q476 VanDerWaalsContact O-N 3.14Å; K473-Q476 PolarHBondContact O-N 3.45Å; V474-Q476 VanDerWaalsContact C-N 3.32Å; V474-Q476 PolarHBondContact O-N 3.37Å; Q476-Y479 PolarHBondContact O-N 3.25Å; Q476-L480 WeakPolarHBondContact O-CG 3.38Å; Q476-L480 PolarHBondContact O-N 2.6Å
477L81Confident75.5Confident0 Ų079.7 Ų79.70%043%0.427CS..Hα-helixtrans-69.8-35.3176-67.5179.6000112.3K473 V474 Y479 L480 G481 F482 A487 L491 V498 A501 T502 L505K473-L477 PolarHBondContact O-N 2.76Å; V474-L477 PolarHBondContact O-N 2.89Å; L477-Y479 VanDerWaalsContact C-N 3.35Å; L477-L480 HydrophobicContact CD2-CD1 4.39Å; L477-L480 PolarHBondContact O-N 2.97Å; L477-G481 PolarHBondContact O-N 3.35Å; L477-F482 HydrophobicContact CD2-CD2 4.46Å; L477-F482 WeakPolarHBondContact O-CB 3.13Å; L477-F482 WeakPolarHBondContact O-CD2 3.3Å; L477-F482 PolarHBondContact O-N 3.49Å; L477-A487 HydrophobicContact CB-CB 3.76Å; L477-A487 HydrophobicContact CD1-CB 3.9Å; L477-L491 HydrophobicContact CD1-CD1 3.6Å; L477-L491 HydrophobicContact CD1-CD2 4.06Å; L477-L491 HydrophobicContact CD1-CG 3.56Å; L477-L491 HydrophobicContact CG-CD1 4.49Å; L477-V498 HydrophobicContact CD2-CG1 3.98Å; L477-V498 HydrophobicContact CG-CG1 4.35Å; L477-A501 HydrophobicContact CD1-CB 4.06Å; L477-T502 WeakPolarHBondContact CD2-OG1 3.31Å; L477-L505 HydrophobicContact CD1-CD1 4.12Å; L477-L505 HydrophobicContact CD2-CD1 4.46Å
478L84.8Confident77Confident55 Ų5576.2 Ų76.229%0.28841%0.406SS..Hα-helixtrans-63.2-41.1172.7-70.9173.1000111.8V474 E475 L480 G481 F482 R484V474-L478 HydrophobicContact CG1-CD1 4.14Å; V474-L478 HydrophobicContact CG1-CG 4.38Å; V474-L478 VanDerWaalsContact O-CG 3.3Å; V474-L478 WeakPolarHBondContact O-CG 3.42Å; V474-L478 PolarHBondContact O-N 3.48Å; E475-L478 PolarHBondContact O-N 3.43Å; L478-L480 PolarHBondContact O-N 3.46Å; L478-G481 PolarHBondContact O-N 3.33Å; L478-F482 VanDerWaalsContact CD2-O 3.22Å; L478-F482 WeakPolarHBondContact CD2-O 3.29Å; L478-R484 HydrophobicContact CD1-CG 4.28Å; L478-R484 HydrophobicContact CD2-CB 3.82Å; L478-R484 HydrophobicContact CD2-CG 4.35Å
479Y83.9Confident78.3Confident215 Ų21573.1 Ų73.184%0.84338%0.381SS*.Hα-helixtrans-64.4-30.3177-172.3-95.6000112.4E475 Q476 L477 G481E475-Y479 WeakPolarHBondContact O-CB 3.42Å; E475-Y479 PolarHBondContact O-N 2.99Å; Q476-Y479 PolarHBondContact O-N 3.25Å; L477-Y479 VanDerWaalsContact C-N 3.35Å; Y479-G481 PolarHBondContact O-N 2.96Å
480L80.9Confident79.2Confident104 Ų10471.6 Ų71.655%0.54537%0.372SS..THydrogen-bonded Turntrans-76.4-0.5173.3-66171000113.5Q476 L477 L478 F482 T502Q476-L480 WeakPolarHBondContact O-CG 3.38Å; Q476-L480 PolarHBondContact O-N 2.6Å; L477-L480 HydrophobicContact CD2-CD1 4.39Å; L477-L480 PolarHBondContact O-N 2.97Å; L478-L480 PolarHBondContact O-N 3.46Å; L480-F482 HydrophobicContact CB-CD2 3.93Å; L480-F482 HydrophobicContact CB-CE2 3.91Å; L480-T502 HydrophobicContact CD1-CG2 4.35Å
481G77.9Confident79.7Confident66 Ų6668.7 Ų68.768%0.6835%0.352SS*.THydrogen-bonded Turntrans95.85.7174.500000115L477 L478 Y479L477-G481 PolarHBondContact O-N 3.35Å; L478-G481 PolarHBondContact O-N 3.33Å; Y479-G481 PolarHBondContact O-N 2.96Å
482F81.4Confident79.9Confident31 Ų3171.6 Ų71.614%0.13635%0.352CS..  trans-80.5152176.1-60-72.7000111.5L477 L478 L480 T502 L505 L506L477-F482 HydrophobicContact CD2-CD2 4.46Å; L477-F482 WeakPolarHBondContact O-CB 3.13Å; L477-F482 WeakPolarHBondContact O-CD2 3.3Å; L477-F482 PolarHBondContact O-N 3.49Å; L478-F482 VanDerWaalsContact CD2-O 3.22Å; L478-F482 WeakPolarHBondContact CD2-O 3.29Å; L480-F482 HydrophobicContact CB-CD2 3.93Å; L480-F482 HydrophobicContact CB-CE2 3.91Å; F482-T502 HydrophobicContact CE2-CG2 4.01Å; F482-T502 HydrophobicContact CZ-CG2 4.36Å; F482-L505 HydrophobicContact CB-CD1 4.22Å; F482-L505 HydrophobicContact CD1-CB 3.88Å; F482-L505 HydrophobicContact CD1-CD1 4.15Å; F482-L505 HydrophobicContact CD1-CG 4.47Å; F482-L505 HydrophobicContact CD2-CD1 4.23Å; F482-L505 HydrophobicContact CE1-CB 3.71Å; F482-L505 HydrophobicContact CG-CB 4.44Å; F482-L505 HydrophobicContact CG-CD1 3.93Å; F482-L505 HydrophobicContact CZ-CB 4.15Å; F482-L506 HydrophobicContact CE1-CD2 4.36Å; F482-L506 HydrophobicContact CZ-CD2 3.83Å; F482-L506 HydrophobicContact CZ-CG 4Å
483Q80.8Confident79.9Confident152 Ų15268.6 Ų68.671%0.7134%0.34SS*.  trans-78.8152177-64.9-171.411.100111.4A485 P486 A487Q483-A485 PolarHBondContact O-N 2.83Å; Q483-P486 HydrophobicContact CB-CG 3.76Å; Q483-P486 VanDerWaalsContact O-CD 3.23Å; Q483-P486 WeakPolarHBondContact O-CD 3.38Å; Q483-P486 WeakPolarHBondContact O-CG 3.42Å; Q483-A487 VanDerWaalsContact O-CB 3.26Å; Q483-A487 WeakPolarHBondContact O-CB 3.4Å; Q483-A487 PolarHBondContact O-N 3.24Å
484R79.3Confident79.7Confident121 Ų12166.1 Ų66.146%0.45733%0.333SS..Hα-helixtrans-58.3-49.1-172.5-164.1172.7-173.5107.91.5113.5V474 L478 A487 E488V474-R484 HydrophobicContact CG1-CG 4.14Å; L478-R484 HydrophobicContact CD1-CG 4.28Å; L478-R484 HydrophobicContact CD2-CB 3.82Å; L478-R484 HydrophobicContact CD2-CG 4.35Å; R484-A487 PolarHBondContact O-N 2.98Å; R484-E488 HydrophobicContact CG-CG 4.44Å; R484-E488 WeakPolarHBondContact CG-OE1 3.4Å; R484-E488 IonicContact CZ-OE1 3.73Å; R484-E488 IonicContact NE-OE1 2.92Å; R484-E488 PolarHBondContact NE-OE1 3.49Å; R484-E488 IonicContact NH2-OE1 3.77Å; R484-E488 WeakPolarHBondContact O-CG 3.31Å; R484-E488 PolarHBondContact O-N 2.95Å
485A77.9Confident79.3Confident72 Ų7269.7 Ų69.760%0.59537%0.369SS*.Hα-helixtrans-61.6-50-177.500000113.5Q483 A489Q483-A485 PolarHBondContact O-N 2.83Å; A485-A489 WeakPolarHBondContact O-CB 3.43Å; A485-A489 PolarHBondContact O-N 3.44Å; A485-A489 VanDerWaalsContact O-N 3.08Å
486P80.3Confident78.9Confident19 Ų1964.7 Ų64.712%0.12335%0.351CS..Hα-helixtrans-69-30.4175.523.1-31.1000113.2Q483 A489 A490 L505 G510 L512Q483-P486 HydrophobicContact CB-CG 3.76Å; Q483-P486 VanDerWaalsContact O-CD 3.23Å; Q483-P486 WeakPolarHBondContact O-CD 3.38Å; Q483-P486 WeakPolarHBondContact O-CG 3.42Å; P486-A489 PolarHBondContact O-N 3.37Å; P486-A490 VanDerWaalsContact O-CB 3.3Å; P486-A490 WeakPolarHBondContact O-CB 3.47Å; P486-A490 PolarHBondContact O-N 2.98Å; P486-L505 HydrophobicContact CB-CD2 3.87Å; P486-G510 WeakPolarHBondContact CG-O 3.37Å; P486-L512 HydrophobicContact CB-CG 4.46Å
487A80.7Confident78.7Confident0 Ų062.8 Ų62.80%034%0.344CS..Hα-helixtrans-65.5-43.9174.600000113L477 Q483 R484 L491L477-A487 HydrophobicContact CB-CB 3.76Å; L477-A487 HydrophobicContact CD1-CB 3.9Å; Q483-A487 VanDerWaalsContact O-CB 3.26Å; Q483-A487 WeakPolarHBondContact O-CB 3.4Å; Q483-A487 PolarHBondContact O-N 3.24Å; R484-A487 PolarHBondContact O-N 2.98Å; A487-L491 WeakPolarHBondContact O-CB 3.37Å; A487-L491 WeakPolarHBondContact O-CG 3.23Å; A487-L491 PolarHBondContact O-N 3.47Å
488E78.4Confident78.8Confident50 Ų5064 Ų6423%0.23435%0.351CS..Hα-helixtrans-64.4-41.1174.4-72.5174.3-174.200111.1V474 R484 R492V474-E488 HydrophobicContact CB-CG 4.47Å; V474-E488 HydrophobicContact CG1-CG 3.73Å; V474-E488 HydrophobicContact CG2-CG 3.81Å; R484-E488 HydrophobicContact CG-CG 4.44Å; R484-E488 WeakPolarHBondContact CG-OE1 3.4Å; R484-E488 IonicContact CZ-OE1 3.73Å; R484-E488 IonicContact NE-OE1 2.92Å; R484-E488 PolarHBondContact NE-OE1 3.49Å; R484-E488 IonicContact NH2-OE1 3.77Å; R484-E488 WeakPolarHBondContact O-CG 3.31Å; R484-E488 PolarHBondContact O-N 2.95Å; E488-R492 WeakPolarHBondContact O-CG 3.21Å; E488-R492 PolarHBondContact O-N 3.39Å
489A77.3Confident78.7Confident12 Ų1268.6 Ų68.610%0.09937%0.372CS..Hα-helixtrans-66-43.3176.200000113.3A485 P486 R492 L493 L512 L517A485-A489 WeakPolarHBondContact O-CB 3.43Å; A485-A489 PolarHBondContact O-N 3.44Å; A485-A489 VanDerWaalsContact O-N 3.08Å; P486-A489 PolarHBondContact O-N 3.37Å; A489-R492 WeakPolarHBondContact O-CB 3.47Å; A489-R492 PolarHBondContact O-N 2.87Å; A489-L493 WeakPolarHBondContact O-CG 3.29Å; A489-L493 PolarHBondContact O-N 2.62Å; A489-L512 HydrophobicContact CB-CD1 3.81Å; A489-L517 HydrophobicContact CB-CD2 4.02Å
490A78.2Confident78.5Confident0 Ų061.2 Ų61.20%035%0.351CS..Hα-helixtrans-63.5-42.1176.500000111.6P486 R492 L493 S494 A501 L505 L512P486-A490 VanDerWaalsContact O-CB 3.3Å; P486-A490 WeakPolarHBondContact O-CB 3.47Å; P486-A490 PolarHBondContact O-N 2.98Å; A490-R492 VanDerWaalsContact C-N 3.31Å; A490-R492 PolarHBondContact O-N 3.11Å; A490-L493 PolarHBondContact O-N 3.2Å; A490-S494 WeakPolarHBondContact O-CB 3.35Å; A490-S494 PolarHBondContact O-N 3.32Å; A490-S494 PolarHBondContact O-OG 3.25Å; A490-S494 VanDerWaalsContact O-OG 3.14Å; A490-A501 HydrophobicContact CB-CB 3.96Å; A490-L505 HydrophobicContact CB-CD1 3.82Å; A490-L505 HydrophobicContact CB-CD2 3.92Å; A490-L505 HydrophobicContact CB-CG 3.62Å; A490-L512 HydrophobicContact CB-CD1 4.03Å
491L78.8Confident78.6Confident1 Ų156.2 Ų56.21%0.00533%0.325CS..Hα-helixtrans-66.3-32.5176.5-75.8167.4000112.5V469 K473 V474 L477 A487 G495 G496 V498 A501V469-L491 HydrophobicContact CG1-CB 3.5Å; V469-L491 VanDerWaalsContact CG1-CB 3.5Å; V469-L491 HydrophobicContact CG1-CD1 3.52Å; V469-L491 HydrophobicContact CG1-CG 4.12Å; V469-L491 HydrophobicContact CG2-CB 4.42Å; K473-L491 HydrophobicContact CB-CD1 4.09Å; K473-L491 HydrophobicContact CB-CD2 4.46Å; V474-L491 HydrophobicContact CB-CD1 4.48Å; V474-L491 HydrophobicContact CG2-CD1 3.83Å; L477-L491 HydrophobicContact CD1-CD1 3.6Å; L477-L491 HydrophobicContact CD1-CD2 4.06Å; L477-L491 HydrophobicContact CD1-CG 3.56Å; L477-L491 HydrophobicContact CG-CD1 4.49Å; A487-L491 WeakPolarHBondContact O-CB 3.37Å; A487-L491 WeakPolarHBondContact O-CG 3.23Å; A487-L491 PolarHBondContact O-N 3.47Å; L491-G495 PolarHBondContact O-N 3.14Å; L491-G496 PolarHBondContact O-N 3.2Å; L491-V498 HydrophobicContact CD2-CG2 4.24Å; L491-A501 HydrophobicContact CD2-CB 3.7Å; L491-A501 HydrophobicContact CG-CB 3.98Å
492R78.4Confident78.8Confident148 Ų14854.3 Ų54.356%0.55830%0.3SS*.Hα-helixtrans-64.3-46.8170.7-74.3179.3179.2133.72.1111.4V469 E488 A489 A490 S494 G495V469-R492 HydrophobicContact CG2-CG 3.46Å; V469-R492 VanDerWaalsContact CG2-CG 3.46Å; E488-R492 WeakPolarHBondContact O-CG 3.21Å; E488-R492 PolarHBondContact O-N 3.39Å; A489-R492 WeakPolarHBondContact O-CB 3.47Å; A489-R492 PolarHBondContact O-N 2.87Å; A490-R492 VanDerWaalsContact C-N 3.31Å; A490-R492 PolarHBondContact O-N 3.11Å; R492-S494 VanDerWaalsContact C-N 3.32Å; R492-S494 PolarHBondContact O-N 3.18Å; R492-G495 PolarHBondContact O-N 2.96Å
493L77Confident78.9Confident87 Ų8758.7 Ų58.746%0.45532%0.321SS..Hα-helixtrans-68.5-29.9-179.9-69.7171000113.1A489 A490 L512A489-L493 WeakPolarHBondContact O-CG 3.29Å; A489-L493 PolarHBondContact O-N 2.62Å; A490-L493 PolarHBondContact O-N 3.2Å; L493-L512 HydrophobicContact CD1-CD1 4.33Å
494S74.7Confident78.9Confident25 Ų2553.7 Ų53.718%0.17530%0.299CS..THydrogen-bonded Turntrans-95.714.4179-56.80000113.8A490 R492 G496 D497 A501A490-S494 WeakPolarHBondContact O-CB 3.35Å; A490-S494 PolarHBondContact O-N 3.32Å; A490-S494 PolarHBondContact O-OG 3.25Å; A490-S494 VanDerWaalsContact O-OG 3.14Å; R492-S494 VanDerWaalsContact C-N 3.32Å; R492-S494 PolarHBondContact O-N 3.18Å; S494-G496 PolarHBondContact O-N 3.18Å; S494-G496 VanDerWaalsContact O-N 3.15Å; S494-D497 PolarHBondContact O-N 2.69Å; S494-A501 WeakPolarHBondContact OG-CA 3.36Å; S494-A501 PolarHBondContact OG-N 2.93Å
495G70.4Confident79.2Confident76 Ų7647.9 Ų47.978%0.78428%0.277SS*.THydrogen-bonded Turntrans60.327176.700000114.4L491 R492L491-G495 PolarHBondContact O-N 3.14Å; R492-G495 PolarHBondContact O-N 2.96Å
496G71.8Confident79.4Confident18 Ų1849.7 Ų49.719%0.18628%0.276CS..THydrogen-bonded Turntrans82.112.5-179.800000115.8K473 L491 S494K473-G496 VanDerWaalsContact CD-O 3.29Å; K473-G496 WeakPolarHBondContact CD-O 3.25Å; K473-G496 PolarHBondContact NZ-O 2.75Å; L491-G496 PolarHBondContact O-N 3.2Å; S494-G496 PolarHBondContact O-N 3.18Å; S494-G496 VanDerWaalsContact O-N 3.15Å
497D79.8Confident79.5Confident67 Ų6754.5 Ų54.536%0.35830%0.301SS..  trans-85123.8170.618041.3000112S494 S500 A501S494-D497 PolarHBondContact O-N 2.69Å; D497-S500 WeakPolarHBondContact OD2-CB 3.29Å; D497-S500 PolarHBondContact OD2-N 3.43Å; D497-S500 PolarHBondContact OD2-OG 3.21Å; D497-A501 WeakPolarHBondContact O-CB 3.47Å; D497-A501 PolarHBondContact O-N 3.19Å
498V82.4Confident79.4Confident24 Ų2457.3 Ų57.315%0.14532%0.316CS..Hα-helixtrans-74.1-35.4-173.4-179.70000111.5K473 L477 L491 T502K473-V498 HydrophobicContact CB-CG2 3.78Å; K473-V498 HydrophobicContact CD-CG2 3.91Å; K473-V498 HydrophobicContact CG-CG2 3.79Å; L477-V498 HydrophobicContact CD2-CG1 3.98Å; L477-V498 HydrophobicContact CG-CG1 4.35Å; L491-V498 HydrophobicContact CD2-CG2 4.24Å; V498-T502 WeakPolarHBondContact O-CB 3.47Å; V498-T502 PolarHBondContact O-N 3.16Å; V498-T502 PolarHBondContact O-OG1 3.42Å
499Q82.8Confident79.2Confident153 Ų15363.7 Ų63.772%0.71535%0.346SS*.Hα-helixtrans-69.6-48.7-178.8-69.8-176.3-7.900110.8A501 T502 Q503Q499-A501 VanDerWaalsContact C-N 3.35Å; Q499-A501 PolarHBondContact O-N 3.01Å; Q499-T502 PolarHBondContact O-N 3.27Å; Q499-Q503 PolarHBondContact O-N 3.44Å
500S80.1Confident78.5Confident59 Ų5964 Ų6441%0.41335%0.35SS..Hα-helixtrans-61.3-42.5175.4-57.40000111.9D497 T502 Q503 L504D497-S500 WeakPolarHBondContact OD2-CB 3.29Å; D497-S500 PolarHBondContact OD2-N 3.43Å; D497-S500 PolarHBondContact OD2-OG 3.21Å; S500-T502 PolarHBondContact O-N 2.93Å; S500-Q503 PolarHBondContact O-N 3.27Å; S500-L504 WeakPolarHBondContact O-CB 3.4Å; S500-L504 PolarHBondContact O-N 3.03Å
501A82.6Confident78.1Confident0 Ų069 Ų690%038%0.38CS..Hα-helixtrans-64.8-38.1176.100000112.7L477 A490 L491 S494 D497 Q499 L505L477-A501 HydrophobicContact CD1-CB 4.06Å; A490-A501 HydrophobicContact CB-CB 3.96Å; L491-A501 HydrophobicContact CD2-CB 3.7Å; L491-A501 HydrophobicContact CG-CB 3.98Å; S494-A501 WeakPolarHBondContact OG-CA 3.36Å; S494-A501 PolarHBondContact OG-N 2.93Å; D497-A501 WeakPolarHBondContact O-CB 3.47Å; D497-A501 PolarHBondContact O-N 3.19Å; Q499-A501 VanDerWaalsContact C-N 3.35Å; Q499-A501 PolarHBondContact O-N 3.01Å; A501-L505 WeakPolarHBondContact O-CB 3.03Å; A501-L505 WeakPolarHBondContact O-CD1 3.45Å; A501-L505 WeakPolarHBondContact O-CG 3.29Å; A501-L505 PolarHBondContact O-N 3.36Å
502T81.4Confident77.7Confident26 Ų2669.8 Ų69.816%0.1639%0.385CS..Hα-helixtrans-64.2-44.7175.4-56.40000110.8L477 L480 F482 V498 Q499 S500 L505 L506L477-T502 WeakPolarHBondContact CD2-OG1 3.31Å; L480-T502 HydrophobicContact CD1-CG2 4.35Å; F482-T502 HydrophobicContact CE2-CG2 4.01Å; F482-T502 HydrophobicContact CZ-CG2 4.36Å; V498-T502 WeakPolarHBondContact O-CB 3.47Å; V498-T502 PolarHBondContact O-N 3.16Å; V498-T502 PolarHBondContact O-OG1 3.42Å; Q499-T502 PolarHBondContact O-N 3.27Å; S500-T502 PolarHBondContact O-N 2.93Å; T502-L505 PolarHBondContact O-N 3.32Å; T502-L506 HydrophobicContact CG2-CD1 4.03Å; T502-L506 HydrophobicContact CG2-CG 4.41Å; T502-L506 VanDerWaalsContact O-CG 3.31Å; T502-L506 WeakPolarHBondContact O-CG 3.18Å; T502-L506 PolarHBondContact O-N 3.12Å
503Q82.9Confident76.9Confident123 Ų12365.7 Ų65.758%0.57538%0.378SS*.Hα-helixtrans-65.6-42.7-179.6-165.7160.1-2.900111.4Q499 S500 L505 L506 D507Q499-Q503 PolarHBondContact O-N 3.44Å; S500-Q503 PolarHBondContact O-N 3.27Å; Q503-L505 VanDerWaalsContact C-N 3.3Å; Q503-L505 PolarHBondContact O-N 2.7Å; Q503-L506 PolarHBondContact O-N 3.11Å; Q503-D507 WeakPolarHBondContact O-CB 3.37Å; Q503-D507 VanDerWaalsContact O-CG 3.23Å; Q503-D507 PolarHBondContact O-N 3.09Å
504L81.9Confident75.8Confident46 Ų4666.2 Ų66.224%0.24139%0.387CS..Hα-helixtrans-61.7-37.5174.9-161.3155000111.8S500 N508 L512S500-L504 WeakPolarHBondContact O-CB 3.4Å; S500-L504 PolarHBondContact O-N 3.03Å; L504-N508 PolarHBondContact O-N 3.03Å; L504-N508 PolarHBondContact O-ND2 3.26Å; L504-L512 HydrophobicContact CD2-CD1 4.29Å; L504-L512 HydrophobicContact CD2-CD2 3.33Å; L504-L512 HydrophobicContact CD2-CG 4.46Å
505L84.4Confident74.8Confident0 Ų071.8 Ų71.80%042%0.415CS..Hα-helixtrans-71.1-38.4174.2-72.8166.4000113.2L477 F482 P486 A490 A501 T502 Q503 N508 Q509 G510 L512L477-L505 HydrophobicContact CD1-CD1 4.12Å; L477-L505 HydrophobicContact CD2-CD1 4.46Å; F482-L505 HydrophobicContact CB-CD1 4.22Å; F482-L505 HydrophobicContact CD1-CB 3.88Å; F482-L505 HydrophobicContact CD1-CD1 4.15Å; F482-L505 HydrophobicContact CD1-CG 4.47Å; F482-L505 HydrophobicContact CD2-CD1 4.23Å; F482-L505 HydrophobicContact CE1-CB 3.71Å; F482-L505 HydrophobicContact CG-CB 4.44Å; F482-L505 HydrophobicContact CG-CD1 3.93Å; F482-L505 HydrophobicContact CZ-CB 4.15Å; P486-L505 HydrophobicContact CB-CD2 3.87Å; A490-L505 HydrophobicContact CB-CD1 3.82Å; A490-L505 HydrophobicContact CB-CD2 3.92Å; A490-L505 HydrophobicContact CB-CG 3.62Å; A501-L505 WeakPolarHBondContact O-CB 3.03Å; A501-L505 WeakPolarHBondContact O-CD1 3.45Å; A501-L505 WeakPolarHBondContact O-CG 3.29Å; A501-L505 PolarHBondContact O-N 3.36Å; T502-L505 PolarHBondContact O-N 3.32Å; Q503-L505 VanDerWaalsContact C-N 3.3Å; Q503-L505 PolarHBondContact O-N 2.7Å; L505-N508 CarbonylContact O-C 3.54Å; L505-N508 PolarHBondContact O-N 2.77Å; L505-Q509 PolarHBondContact O-N 3.17Å; L505-Q509 VanDerWaalsContact O-N 3.16Å; L505-G510 PolarHBondContact O-N 3.4Å; L505-L512 HydrophobicContact CD2-CD1 4.41Å; L505-L512 HydrophobicContact CD2-CD2 4.25Å; L505-L512 HydrophobicContact CD2-CG 4.21Å
506L83.4Confident74.1Confident109 Ų10972.2 Ų72.257%0.57140%0.399SS*.Hα-helixtrans-65.7-45176.9-74.4170.3000111.5F482 T502 Q503 N508 Q509F482-L506 HydrophobicContact CE1-CD2 4.36Å; F482-L506 HydrophobicContact CZ-CD2 3.83Å; F482-L506 HydrophobicContact CZ-CG 4Å; T502-L506 HydrophobicContact CG2-CD1 4.03Å; T502-L506 HydrophobicContact CG2-CG 4.41Å; T502-L506 VanDerWaalsContact O-CG 3.31Å; T502-L506 WeakPolarHBondContact O-CG 3.18Å; T502-L506 PolarHBondContact O-N 3.12Å; Q503-L506 PolarHBondContact O-N 3.11Å; L506-N508 PolarHBondContact O-N 2.98Å; L506-Q509 PolarHBondContact O-N 2.95Å; L506-Q509 VanDerWaalsContact O-N 3.14Å
507D81.5Confident73.2Confident121 Ų12176.2 Ų76.265%0.64742%0.415SS*.Hα-helixtrans-63.5-28.9-179.9-69.1-16.5000111.9Q503Q503-D507 WeakPolarHBondContact O-CB 3.37Å; Q503-D507 VanDerWaalsContact O-CG 3.23Å; Q503-D507 PolarHBondContact O-N 3.09Å
508N78.4Confident71.3Confident59 Ų5976.5 Ų76.532%0.31642%0.422SS..THydrogen-bonded Turntrans-103.118.6178.5-66.3-81.9000113.6L504 L505 L506 G510 V511 L512L504-N508 PolarHBondContact O-N 3.03Å; L504-N508 PolarHBondContact O-ND2 3.26Å; L505-N508 CarbonylContact O-C 3.54Å; L505-N508 PolarHBondContact O-N 2.77Å; L506-N508 PolarHBondContact O-N 2.98Å; N508-G510 PolarHBondContact O-N 3.27Å; N508-V511 PolarHBondContact O-N 3.49Å; N508-V511 VanDerWaalsContact O-N 3.08Å; N508-V511 VanDerWaalsContact O-O 3.13Å; N508-L512 HydrophobicContact CB-CD2 4.03Å
509Q74.3Confident69.2Low183 Ų18380.7 Ų80.786%0.85545%0.45SS*.THydrogen-bonded Turntrans51.832.6177.5-57.2-179.718.200114.5L505 L506 V511L505-Q509 PolarHBondContact O-N 3.17Å; L505-Q509 VanDerWaalsContact O-N 3.16Å; L506-Q509 PolarHBondContact O-N 2.95Å; L506-Q509 VanDerWaalsContact O-N 3.14Å; Q509-V511 VanDerWaalsContact C-N 3.33Å; Q509-V511 PolarHBondContact O-N 2.9Å
510G63.6Low66.9Low18 Ų1879.6 Ų79.619%0.18646%0.456CS..THydrogen-bonded Turntrans79.45.2177.800000115.6P486 L505 N508P486-G510 WeakPolarHBondContact CG-O 3.37Å; L505-G510 PolarHBondContact O-N 3.4Å; N508-G510 PolarHBondContact O-N 3.27Å
511V70.3Confident64.4Low106 Ų10682.3 Ų82.364%0.64248%0.475SS*.  trans-128.1114.6178.6-175.10000109.9N508 Q509N508-V511 PolarHBondContact O-N 3.49Å; N508-V511 VanDerWaalsContact O-N 3.08Å; N508-V511 VanDerWaalsContact O-O 3.13Å; Q509-V511 VanDerWaalsContact C-N 3.33Å; Q509-V511 PolarHBondContact O-N 2.9Å
512L68.6Low62.2Low18 Ų1889.1 Ų89.19%0.09452%0.517CS..  trans-86.6120.5176.2-57-179.4000109.8P486 A489 A490 L493 L504 L505 N508P486-L512 HydrophobicContact CB-CG 4.46Å; A489-L512 HydrophobicContact CB-CD1 3.81Å; A490-L512 HydrophobicContact CB-CD1 4.03Å; L493-L512 HydrophobicContact CD1-CD1 4.33Å; L504-L512 HydrophobicContact CD2-CD1 4.29Å; L504-L512 HydrophobicContact CD2-CD2 3.33Å; L504-L512 HydrophobicContact CD2-CG 4.46Å; L505-L512 HydrophobicContact CD2-CD1 4.41Å; L505-L512 HydrophobicContact CD2-CD2 4.25Å; L505-L512 HydrophobicContact CD2-CG 4.21Å; N508-L512 HydrophobicContact CB-CD2 4.03Å
513S62.1Low59.7Low61 Ų6193.1 Ų93.143%0.42755%0.546SS..  trans-63.5144.9176.7-65.30000111.5D515 L516S513-D515 PolarHBondContact O-N 2.64Å; S513-D515 VanDerWaalsContact O-N 3.09Å; S513-L516 PolarHBondContact O-N 2.63Å
514P55.2Low57.2Low98 Ų9892.7 Ų92.764%0.63656%0.557SS**G310 helixtrans-60.9-19.8179.821.9-31000114.2L516 L517 S518P514-L516 VanDerWaalsContact C-N 3.28Å; P514-L516 PolarHBondContact O-N 3.12Å; P514-L517 PolarHBondContact O-N 3.21Å; P514-S518 PolarHBondContact O-OG 3.12Å
515D53.8Low55Low142 Ų14296.1 Ų96.176%0.75958%0.584SS**G310 helixtrans-66.5-26.3173.8-72.3-16.5000113.3S513 L517S513-D515 PolarHBondContact O-N 2.64Å; S513-D515 VanDerWaalsContact O-N 3.09Å; D515-L517 VanDerWaalsContact C-N 3.34Å
516L55.6Low52.4Low85 Ų85102 Ų10245%0.44563%0.626SS.*G310 helixtrans-83.2-11.4175.5-66.7174.3000113.2S513 P514S513-L516 PolarHBondContact O-N 2.63Å; P514-L516 VanDerWaalsContact C-N 3.28Å; P514-L516 PolarHBondContact O-N 3.12Å
517L52Low50.1Low102 Ų102102.2 Ų102.253%0.53464%0.636SS.*G310 helixtrans-97.10.6-179.5-67.4169000112.7A489 P514 D515A489-L517 HydrophobicContact CB-CD2 4.02Å; P514-L517 PolarHBondContact O-N 3.21Å; D515-L517 VanDerWaalsContact C-N 3.34Å
518S40.7Very low47.6Very low73 Ų73102.2 Ų102.251%0.5165%0.646SS.*SBendtrans-93.6139178.7-59.50000110.4P514P514-S518 PolarHBondContact O-OG 3.12Å
519P37.5Very low45.7Very low113 Ų113105 Ų10573%0.73467%0.667SS**PPolyproline II helixtrans-63.7139.8176.826.6-32.3000109.9S521P519-S521 PolarHBondContact O-N 3.02Å; P519-S521 VanDerWaalsContact O-N 3.1Å
520P33.7Very low43.6Very low129 Ų129101.9 Ų101.984%0.83867%0.666SS**PPolyproline II helixtrans-66.2116.7-174.825.1-31.6000110.4
521S28.7Very low42Very low116 Ų116106.6 Ų106.681%0.81170%0.696SS**PPolyproline II helixtrans-77.1130.6163-65.30000108.9P519 S523P519-S521 PolarHBondContact O-N 3.02Å; P519-S521 VanDerWaalsContact O-N 3.1Å; S521-S523 PolarHBondContact O-N 3.43Å
522T36Very low40.3Very low143 Ų143111.1 Ų111.188%0.87771%0.71SS**  trans-60114.9-176.946.70000113.1
523S30.1Very low38.6Very low110 Ų110119.3 Ų119.377%0.76975%0.747SS**  trans-168.3118.9143.7490000112.3S521S521-S523 PolarHBondContact O-N 3.43Å
524S29.9Very low37.8Very low114 Ų114121.3 Ų121.380%0.79777%0.768SS**  trans128.3102144.466.40000116.6
525S35.3Very low37Very low118 Ų118119.7 Ų119.783%0.82577%0.769SS**  trans26.2107.5140.257.30000119.9
526S29.8Very low36.1Very low124 Ų124119.3 Ų119.387%0.86777%0.772SS**  trans-157.4138.4133.353.80000110.9
527S34.7Very low35.7Very low113 Ų113119.9 Ų119.979%0.7978%0.783SS**  trans-83.5126.3-174.444.80000111.8
528S28.7Very low35.3Very low121 Ų121119.6 Ų119.685%0.84679%0.789SS**  trans178.1151.6138.4-76.70000111.6
529P39.7Very low36.1Very low119 Ų119119.2 Ų119.277%0.77378%0.784SS**  trans-100.7131.1-163.836.2-27.8000112.9
530S28.9Very low37.8Very low117 Ų117115.6 Ų115.682%0.81876%0.762SS**  trans-176.3138.8144.3-91.40000113.7
531S30.8Very low39.8Very low116 Ų116114.3 Ų114.381%0.81175%0.753SS**  trans77.7103.3153.1-56.10000118.1
532E34.8Very low42.3Very low201 Ų201115.4 Ų115.494%0.93975%0.745SS**  trans-66122.2170.4-60-176.1163.100111.4
533E33.4Very low44.6Very low190 Ų190110.8 Ų110.889%0.88872%0.716SS**  trans-109.7138157.5-88.4-88.7159.200107.7
534A44.4Very low47.3Very low103 Ų103107.6 Ų107.685%0.85169%0.693SS**  trans-73.4141.3-170.200000112.8
535G37.6Very low50Low64 Ų64107.9 Ų107.966%0.6668%0.682SS**  trans146.991.3162.400000113.4
536T36.3Very low52.5Low135 Ų135102.9 Ų102.983%0.82865%0.646SS**  trans168.5108138.931.40000108.1S538T536-S538 PolarHBondContact O-N 2.67Å
537S46.8Very low55.3Low97 Ų9797.1 Ų97.168%0.67861%0.605SS**  trans-76.169.8171.349.60000110.1
538S43.3Very low57.8Low95 Ų9596.1 Ų96.166%0.66459%0.591SS**  trans-88.497.5151.658.40000106.5T536 S540T536-S538 PolarHBondContact O-N 2.67Å; S538-S540 PolarHBondContact O-N 3.38Å
539T57Low60.6Low65 Ų6592.5 Ų92.540%0.39956%0.561SS.*  trans-58108.8170.941.40000107.7
540S73Confident63Low38 Ų3886.9 Ų86.927%0.26652%0.524SS..  trans-63.6153.6175.169.50000108.9S538 E542 D543 S544S538-S540 PolarHBondContact O-N 3.38Å; S540-E542 PolarHBondContact O-N 3.3Å; S540-E542 VanDerWaalsContact O-N 3.12Å; S540-D543 WeakPolarHBondContact CB-OD2 3.34Å; S540-D543 PolarHBondContact N-OD2 3.07Å; S540-D543 VanDerWaalsContact N-OD2 3.11Å; S540-D543 PolarHBondContact O-N 3.2Å; S540-D543 PolarHBondContact OG-N 3.44Å; S540-D543 VanDerWaalsContact OG-N 3.09Å; S540-D543 PolarHBondContact OG-OD2 2.79Å; S540-S544 PolarHBondContact O-N 2.59Å
541P75.6Confident65.8Low101 Ų10184.1 Ų84.166%0.65650%0.5SS*.Hα-helixtrans-56-28173.422.4-32.7000111.9Q545P541-Q545 VanDerWaalsContact O-CG 3.31Å; P541-Q545 WeakPolarHBondContact O-CG 3.47Å; P541-Q545 PolarHBondContact O-N 3.42Å; P541-Q545 VanDerWaalsContact O-N 3.16Å
542E81.9Confident68.5Low139 Ų13986.1 Ų86.165%0.6550%0.497SS*.Hα-helixtrans-67.9-43.2174.3-59.5-174.9179.900112.2S540 S544 Q545 L546S540-E542 PolarHBondContact O-N 3.3Å; S540-E542 VanDerWaalsContact O-N 3.12Å; E542-S544 VanDerWaalsContact C-N 3.32Å; E542-S544 PolarHBondContact O-N 2.98Å; E542-Q545 WeakPolarHBondContact O-CB 3.46Å; E542-Q545 PolarHBondContact O-N 3.12Å; E542-L546 WeakPolarHBondContact O-CG 3.48Å; E542-L546 PolarHBondContact O-N 2.86Å
543D85.3Confident71Confident47 Ų4777.1 Ų77.125%0.25146%0.455SS..Hα-helixtrans-62.3-40.8177.1-63.9-37.6000111.8I187 S540 Q545 L546 V547I187-D543 HydrophobicContact CD1-CB 3.85Å; S540-D543 WeakPolarHBondContact CB-OD2 3.34Å; S540-D543 PolarHBondContact N-OD2 3.07Å; S540-D543 VanDerWaalsContact N-OD2 3.11Å; S540-D543 PolarHBondContact O-N 3.2Å; S540-D543 PolarHBondContact OG-N 3.44Å; S540-D543 VanDerWaalsContact OG-N 3.09Å; S540-D543 PolarHBondContact OG-OD2 2.79Å; D543-Q545 VanDerWaalsContact C-N 3.35Å; D543-L546 PolarHBondContact O-N 3.41Å; D543-V547 VanDerWaalsContact O-CG2 3.32Å; D543-V547 WeakPolarHBondContact O-CG2 3.38Å; D543-V547 PolarHBondContact O-N 3.17Å
544S85Confident73.5Confident42 Ų4270.5 Ų70.529%0.29443%0.425SS..Hα-helixtrans-64.7-38.9176.2-65.10000112.1S540 E542 N548S540-S544 PolarHBondContact O-N 2.59Å; E542-S544 VanDerWaalsContact C-N 3.32Å; E542-S544 PolarHBondContact O-N 2.98Å; S544-N548 VanDerWaalsContact O-CG 3.25Å; S544-N548 PolarHBondContact O-N 3.25Å; S544-N548 PolarHBondContact O-ND2 3.29Å
545Q86.7Confident75.3Confident120 Ų12067.1 Ų67.156%0.56140%0.395SS*.Hα-helixtrans-64.2-44.3173.9-73.6173.24.600112P541 E542 D543 V547 N548 E549P541-Q545 VanDerWaalsContact O-CG 3.31Å; P541-Q545 WeakPolarHBondContact O-CG 3.47Å; P541-Q545 PolarHBondContact O-N 3.42Å; P541-Q545 VanDerWaalsContact O-N 3.16Å; E542-Q545 WeakPolarHBondContact O-CB 3.46Å; E542-Q545 PolarHBondContact O-N 3.12Å; D543-Q545 VanDerWaalsContact C-N 3.35Å; Q545-V547 VanDerWaalsContact C-N 3.35Å; Q545-V547 PolarHBondContact O-N 3.39Å; Q545-N548 PolarHBondContact O-N 3.24Å; Q545-E549 PolarHBondContact O-N 3.42Å
546L88.6Confident77.3Confident14 Ų1474.4 Ų74.47%0.07340%0.403CS..Hα-helixtrans-60.6-45.4177.6-70.1173.3000111.4R180 K183 I187 E542 D543 E549 V550R180-L546 HydrophobicContact CB-CD2 3.67Å; R180-L546 HydrophobicContact CG-CD2 3.67Å; K183-L546 HydrophobicContact CB-CD1 3.96Å; K183-L546 HydrophobicContact CD-CD1 4.28Å; I187-L546 HydrophobicContact CD1-CD1 4.43Å; E542-L546 WeakPolarHBondContact O-CG 3.48Å; E542-L546 PolarHBondContact O-N 2.86Å; D543-L546 PolarHBondContact O-N 3.41Å; L546-E549 PolarHBondContact O-N 3.29Å; L546-V550 WeakPolarHBondContact O-CG2 3.45Å; L546-V550 PolarHBondContact O-N 3.34Å
547V88.5Confident79.4Confident2 Ų270.6 Ų70.61%0.01238%0.376CS..Hα-helixtrans-62-45.1178.4170.10000111.2I187 L188 P201 D543 Q545 E549 V550 L551I187-V547 HydrophobicContact CB-CG2 4.05Å; I187-V547 HydrophobicContact CD1-CG2 4.46Å; I187-V547 HydrophobicContact CG2-CG2 3.61Å; L188-V547 HydrophobicContact CD1-CG1 4.35Å; L188-V547 HydrophobicContact CD2-CG1 3.7Å; L188-V547 HydrophobicContact CG-CG1 4.06Å; L188-V547 HydrophobicContact CG-CG2 4.28Å; P201-V547 HydrophobicContact CG-CG1 3.76Å; D543-V547 VanDerWaalsContact O-CG2 3.32Å; D543-V547 WeakPolarHBondContact O-CG2 3.38Å; D543-V547 PolarHBondContact O-N 3.17Å; Q545-V547 VanDerWaalsContact C-N 3.35Å; Q545-V547 PolarHBondContact O-N 3.39Å; V547-E549 VanDerWaalsContact C-N 3.34Å; V547-E549 PolarHBondContact O-N 2.95Å; V547-V550 PolarHBondContact O-N 2.8Å; V547-L551 HydrophobicContact CG1-CD1 3.81Å; V547-L551 HydrophobicContact CG1-CG 4.21Å; V547-L551 VanDerWaalsContact O-CG 3.25Å; V547-L551 WeakPolarHBondContact O-CG 3.19Å; V547-L551 PolarHBondContact O-N 3.45Å
548N87.4Confident80.7Confident92 Ų9273.4 Ų73.449%0.49238%0.378SS..Hα-helixtrans-61.3-41.8177.6-71.4-19.5000112.1S544 Q545 V550 L551 E552S544-N548 VanDerWaalsContact O-CG 3.25Å; S544-N548 PolarHBondContact O-N 3.25Å; S544-N548 PolarHBondContact O-ND2 3.29Å; Q545-N548 PolarHBondContact O-N 3.24Å; N548-V550 PolarHBondContact O-N 3.24Å; N548-L551 PolarHBondContact O-N 3.3Å; N548-E552 PolarHBondContact O-N 3.22Å
549E87.9Confident82.5Confident46 Ų4670.7 Ų70.722%0.21536%0.355CS..Hα-helixtrans-56.1-49.3176.5-173.7-169.7151.200111.6R180 K232 Q545 L546 V547 E552R180-E549 IonicContact CZ-OE2 2.91Å; R180-E549 IonicContact NE-OE2 3.8Å; R180-E549 PolarHBondContact NE-OE2 2.96Å; R180-E549 IonicContact NH2-OE2 3.6Å; R180-E549 PolarHBondContact NH2-OE2 3.36Å; K232-E549 IonicContact NZ-OE1 3.87Å; K232-E549 PolarHBondContact NZ-OE1 2.91Å; Q545-E549 PolarHBondContact O-N 3.42Å; L546-E549 PolarHBondContact O-N 3.29Å; V547-E549 VanDerWaalsContact C-N 3.34Å; V547-E549 PolarHBondContact O-N 2.95Å; E549-E552 PolarHBondContact O-N 3.05Å
550V89.4Confident83.9Confident1 Ų168.6 Ų68.61%0.00634%0.341CS..Hα-helixtrans-73.7-28-178.8-105.90000113.5T181 F185 L546 V547 N548 E552 D553 I554T181-V550 HydrophobicContact CG2-CG1 3.95Å; F185-V550 HydrophobicContact CD2-CB 4.29Å; F185-V550 HydrophobicContact CD2-CG1 3.57Å; F185-V550 HydrophobicContact CE1-CB 4.16Å; F185-V550 HydrophobicContact CE1-CG1 4.29Å; F185-V550 HydrophobicContact CE2-CB 3.83Å; F185-V550 HydrophobicContact CE2-CG1 3.07Å; F185-V550 HydrophobicContact CG-CG1 4.33Å; F185-V550 HydrophobicContact CZ-CB 3.72Å; F185-V550 HydrophobicContact CZ-CG1 3.47Å; F185-V550 VanDerWaalsContact CZ-CG1 3.47Å; L546-V550 WeakPolarHBondContact O-CG2 3.45Å; L546-V550 PolarHBondContact O-N 3.34Å; V547-V550 PolarHBondContact O-N 2.8Å; N548-V550 PolarHBondContact O-N 3.24Å; V550-E552 VanDerWaalsContact C-N 3.27Å; V550-E552 PolarHBondContact O-N 3.17Å; V550-D553 PolarHBondContact O-N 3.37Å; V550-I554 WeakPolarHBondContact O-CG1 3.5Å; V550-I554 PolarHBondContact O-N 3.02Å
551L88.4Confident84.7Confident58 Ų5868.9 Ų68.930%0.30434%0.337SS..Hα-helixtrans-66.3-29.3173.9-71.7176.3000112.7L188 P201 V547 N548 D553 I554L188-L551 HydrophobicContact CD1-CD2 4.13Å; L188-L551 HydrophobicContact CD1-CG 4.49Å; P201-L551 HydrophobicContact CB-CD1 3.94Å; P201-L551 HydrophobicContact CG-CD1 3.65Å; V547-L551 HydrophobicContact CG1-CD1 3.81Å; V547-L551 HydrophobicContact CG1-CG 4.21Å; V547-L551 VanDerWaalsContact O-CG 3.25Å; V547-L551 WeakPolarHBondContact O-CG 3.19Å; V547-L551 PolarHBondContact O-N 3.45Å; N548-L551 PolarHBondContact O-N 3.3Å; L551-D553 VanDerWaalsContact C-N 3.26Å; L551-D553 PolarHBondContact O-N 3.05Å; L551-I554 HydrophobicContact CD2-CD1 3.88Å; L551-I554 PolarHBondContact O-N 3.28Å
552E87.9Confident85.4Confident159 Ų15964.1 Ų64.174%0.74331%0.305SS*.Hα-helixtrans-67-28.4174.2-71.5179.5-177.800112.9N548 E549 V550N548-E552 PolarHBondContact O-N 3.22Å; E549-E552 PolarHBondContact O-N 3.05Å; V550-E552 VanDerWaalsContact C-N 3.27Å; V550-E552 PolarHBondContact O-N 3.17Å
553D86.1Confident85.8Confident11 Ų1159.1 Ų59.16%0.05928%0.283CS..Hα-helixtrans-84.8-17.9178.6-69.7-59.6000113.6K232 S235 R239 V550 L551 S555K232-D553 HydrophobicContact CD-CB 4.01Å; K232-D553 WeakPolarHBondContact CD-OD2 3.49Å; K232-D553 VanDerWaalsContact CE-OD2 3.3Å; K232-D553 WeakPolarHBondContact CE-OD2 3.5Å; K232-D553 IonicContact NZ-OD2 2.87Å; K232-D553 PolarHBondContact NZ-OD2 3.44Å; S235-D553 VanDerWaalsContact CB-OD1 3.27Å; S235-D553 WeakPolarHBondContact CB-OD1 3.34Å; S235-D553 PolarHBondContact OG-OD1 3.15Å; R239-D553 IonicContact NH2-OD1 3.45Å; V550-D553 PolarHBondContact O-N 3.37Å; L551-D553 VanDerWaalsContact C-N 3.26Å; L551-D553 PolarHBondContact O-N 3.05Å; D553-S555 PolarHBondContact O-N 3.14Å
554I85.7Confident86Confident51 Ų5158.1 Ų58.126%0.26228%0.278SS..SBendtrans-74.1120.5174.2-59.5174.1000108.8F185 L203 V550 L551 R556F185-I554 HydrophobicContact CE1-CD1 3.87Å; F185-I554 HydrophobicContact CE1-CG1 4.17Å; F185-I554 HydrophobicContact CZ-CD1 4.38Å; F185-I554 HydrophobicContact CZ-CG1 4.19Å; L203-I554 HydrophobicContact CD1-CD1 4.49Å; L203-I554 HydrophobicContact CD2-CD1 4.05Å; V550-I554 WeakPolarHBondContact O-CG1 3.5Å; V550-I554 PolarHBondContact O-N 3.02Å; L551-I554 HydrophobicContact CD2-CD1 3.88Å; L551-I554 PolarHBondContact O-N 3.28Å; I554-R556 PolarHBondContact O-N 3.32Å
555S82.9Confident86.3Confident33 Ų3359.3 Ų59.323%0.23128%0.283CS..  trans-61.8133.6176.1-165.80000111.5D553 H557 D560D553-S555 PolarHBondContact O-N 3.14Å; S555-H557 PolarHBondContact O-N 3.44Å; S555-H557 VanDerWaalsContact O-N 3.16Å; S555-H557 PolarHBondContact OG-N 3.47Å; S555-H557 PolarHBondContact OG-O 2.89Å; S555-D560 WeakPolarHBondContact CB-OD2 3.35Å; S555-D560 WeakPolarHBondContact OG-CB 3.41Å; S555-D560 PolarHBondContact OG-OD2 3.05Å
556R79.1Confident86.6Confident217 Ų21753.6 Ų53.682%0.81926%0.257SS*.SBendtrans-68.5-10.9175.3-63.4-176-178.8-176.30.2112.7R408 I554R408-R556 PolarHBondContact NH2-O 3.44Å; I554-R556 PolarHBondContact O-N 3.32Å
557H79.8Confident86.8Confident55 Ų5558.3 Ų58.326%0.25528%0.278SS..SBendtrans-126.4124.3-175.1-65-97.9000110.7R381 R408 S555 E559 D560R381-H557 PolarHBondContact NH1-CD2 3.4Å; R381-H557 PolarHBondContact NH2-CD2 3.39Å; R381-H557 PolarHBondContact NH2-CE1 2.89Å; R381-H557 PolarHBondContact NH2-ND1 3.12Å; R381-H557 PolarHBondContact NH2-NE2 3.42Å; R408-H557 PolarHBondContact NH1-CE1 2.92Å; R408-H557 PolarHBondContact NH1-ND1 3.4Å; S555-H557 PolarHBondContact O-N 3.44Å; S555-H557 VanDerWaalsContact O-N 3.16Å; S555-H557 PolarHBondContact OG-N 3.47Å; S555-H557 PolarHBondContact OG-O 2.89Å; H557-E559 PolarHBondContact O-N 2.65Å; H557-D560 HydrophobicContact CB-CB 4.34Å; H557-D560 WeakPolarHBondContact O-CB 3.33Å; H557-D560 PolarHBondContact O-N 3.38Å; H557-D560 VanDerWaalsContact O-N 3.12Å
558E75.2Confident87Confident155 Ų15559.3 Ų59.372%0.72428%0.284SS*.THydrogen-bonded Turntrans-60.3-32.5-174.7-62.4172.2-169.700113.1Y561E558-Y561 VanDerWaalsContact O-CD1 3.3Å; E558-Y561 WeakPolarHBondContact O-CD1 3.36Å; E558-Y561 WeakPolarHBondContact O-CE1 3.49Å
559E81.9Confident87.4Confident39 Ų3955.1 Ų55.118%0.18226%0.261CS..THydrogen-bonded Turntrans-92.310-178.2-62.6-177.5159.800113.6R324 L385 R404 H557 Y561 L562R324-E559 IonicContact NE-OE2 2.78Å; R324-E559 IonicContact NH1-OE1 3.77Å; L385-E559 HydrophobicContact CD1-CB 4.06Å; R404-E559 IonicContact CZ-OE1 3.63Å; R404-E559 IonicContact CZ-OE2 2.69Å; R404-E559 IonicContact NH1-OE1 2.95Å; R404-E559 PolarHBondContact NH1-OE1 2.87Å; R404-E559 IonicContact NH1-OE2 3.09Å; R404-E559 PolarHBondContact NH1-OE2 3.2Å; R404-E559 IonicContact NH2-OE1 2.63Å; R404-E559 PolarHBondContact NH2-OE1 3.33Å; R404-E559 IonicContact NH2-OE2 3.39Å; H557-E559 PolarHBondContact O-N 2.65Å; E559-Y561 PolarHBondContact O-N 2.97Å; E559-L562 HydrophobicContact CB-CD1 4.34Å; E559-L562 HydrophobicContact CG-CD1 4.48Å; E559-L562 WeakPolarHBondContact O-CB 3.45Å; E559-L562 PolarHBondContact O-N 3.24Å
560D85.9Confident87.8Confident20 Ų2054.6 Ų54.611%0.10726%0.262CS..G310 helixtrans-62.7-26.5-175.1-178.570.5000113.6K238 R381 S555 H557 L562 D563K238-D560 IonicContact NZ-OD1 2.62Å; K238-D560 PolarHBondContact NZ-OD1 3.26Å; K238-D560 IonicContact NZ-OD2 3.43Å; K238-D560 PolarHBondContact NZ-OD2 3Å; R381-D560 IonicContact NH1-OD1 2.83Å; S555-D560 WeakPolarHBondContact CB-OD2 3.35Å; S555-D560 WeakPolarHBondContact OG-CB 3.41Å; S555-D560 PolarHBondContact OG-OD2 3.05Å; H557-D560 HydrophobicContact CB-CB 4.34Å; H557-D560 WeakPolarHBondContact O-CB 3.33Å; H557-D560 PolarHBondContact O-N 3.38Å; H557-D560 VanDerWaalsContact O-N 3.12Å; D560-L562 PolarHBondContact O-N 3.35Å; D560-D563 PolarHBondContact O-N 3.03Å
561Y88.5Confident88.1Confident45 Ų4560 Ų6018%0.17629%0.288CS..G310 helixtrans-69.7-16.6173.370.9-86.2000113.7V272 L328 E558 E559V272-Y561 HydrophobicContact CG1-CD2 4.13Å; V272-Y561 HydrophobicContact CG2-CD2 4.24Å; V272-Y561 HydrophobicContact CG2-CE2 4.12Å; L328-Y561 HydrophobicContact CD1-CE2 4.2Å; L328-Y561 HydrophobicContact CD2-CD2 4.35Å; E558-Y561 VanDerWaalsContact O-CD1 3.3Å; E558-Y561 WeakPolarHBondContact O-CD1 3.36Å; E558-Y561 WeakPolarHBondContact O-CE1 3.49Å; E559-Y561 PolarHBondContact O-N 2.97Å
562L90.8Very high88.4Confident0 Ų057.3 Ų57.30%027%0.274CS..G310 helixtrans-89.6-13.5174.5-57.4176.6000112.1R324 E325 L328 L385 R388 E559 D560 L564R324-L562 HydrophobicContact CB-CD1 3.94Å; E325-L562 HydrophobicContact CG-CD1 4.36Å; E325-L562 HydrophobicContact CG-CD2 4.5Å; L328-L562 HydrophobicContact CD1-CD2 3.88Å; L328-L562 HydrophobicContact CD2-CD2 4.07Å; L328-L562 HydrophobicContact CG-CD2 3.84Å; L385-L562 HydrophobicContact CD2-CB 4.12Å; R388-L562 PolarHBondContact NH1-O 2.87Å; E559-L562 HydrophobicContact CB-CD1 4.34Å; E559-L562 HydrophobicContact CG-CD1 4.48Å; E559-L562 WeakPolarHBondContact O-CB 3.45Å; E559-L562 PolarHBondContact O-N 3.24Å; D560-L562 PolarHBondContact O-N 3.35Å; L562-L564 VanDerWaalsContact C-N 3.3Å; L562-L564 PolarHBondContact O-N 3.44Å
563D90.8Very high88.9Confident34 Ų3450.1 Ų50.118%0.18224%0.24CC..  trans-83.670.1-179.8-176.325.7000112.2R381 R384 L385 D560R381-D563 WeakPolarHBondContact CB-OD2 3.47Å; R381-D563 WeakPolarHBondContact CD-OD2 3.37Å; R381-D563 HydrophobicContact CG-CB 3.76Å; R381-D563 VanDerWaalsContact CG-CG 3.44Å; R381-D563 WeakPolarHBondContact CG-OD2 3.45Å; R384-D563 VanDerWaalsContact CD-OD1 3.27Å; R384-D563 WeakPolarHBondContact CD-OD1 3.33Å; R384-D563 IonicContact CZ-OD1 3.67Å; R384-D563 IonicContact NE-OD1 2.83Å; R384-D563 IonicContact NH1-OD1 3.64Å; R384-D563 PolarHBondContact NH1-OD1 2.85Å; L385-D563 HydrophobicContact CD1-CB 4.45Å; L385-D563 HydrophobicContact CD2-CB 4.24Å; L385-D563 HydrophobicContact CG-CB 4.41Å; D560-D563 PolarHBondContact O-N 3.03Å
564L89.4Confident89.4Confident27 Ų2752.5 Ų52.514%0.14126%0.257CS..  trans-89.8139.4171.4-55.6-172.9000111.1V327 R331 R384 R388 L562 L566V327-L564 HydrophobicContact CG1-CB 3.9Å; V327-L564 HydrophobicContact CG1-CD1 3.36Å; V327-L564 HydrophobicContact CG1-CG 3.68Å; R331-L564 VanDerWaalsContact CZ-CD1 3.44Å; R331-L564 VanDerWaalsContact NH2-CD1 3.35Å; R384-L564 WeakPolarHBondContact CD-O 3.49Å; R388-L564 VanDerWaalsContact CZ-O 3.28Å; R388-L564 PolarHBondContact NH1-O 3.23Å; R388-L564 PolarHBondContact NH2-O 2.92Å; L562-L564 VanDerWaalsContact C-N 3.3Å; L562-L564 PolarHBondContact O-N 3.44Å; L564-L566 VanDerWaalsContact C-N 3.25Å; L564-L566 HydrophobicContact CB-CD2 4.01Å
565T90.4Very high89.8Confident66 Ų6652.3 Ų52.341%0.40526%0.259SS..  trans-72.1-21.8170.758.50000112.4R384 E567R384-T565 VanDerWaalsContact NH1-CG2 3.3Å; T565-E567 PolarHBondContact O-N 3.02Å; T565-E567 PolarHBondContact OG1-N 2.83Å
566L93.3Very high90.3Very high1 Ų150.7 Ų50.71%0.00525%0.248CC..  trans66.313.3-172.9-52.2176.6000114.9V327 L330 Y360 L363 V364 L564 E569 S570V327-L566 HydrophobicContact CG1-CD2 4.15Å; L330-L566 HydrophobicContact CD1-CD1 4.35Å; L330-L566 HydrophobicContact CD1-CD2 4.4Å; L330-L566 HydrophobicContact CD2-CD2 4.33Å; Y360-L566 HydrophobicContact CD2-CB 4.37Å; Y360-L566 HydrophobicContact CD2-CD1 4.31Å; Y360-L566 HydrophobicContact CE2-CB 3.86Å; Y360-L566 HydrophobicContact CE2-CD1 4.44Å; L363-L566 HydrophobicContact CB-CD1 3.96Å; V364-L566 HydrophobicContact CG2-CD1 4.13Å; L564-L566 VanDerWaalsContact C-N 3.25Å; L564-L566 HydrophobicContact CB-CD2 4.01Å; L566-E569 VanDerWaalsContact CA-OE2 3.28Å; L566-E569 WeakPolarHBondContact CA-OE2 3.3Å; L566-E569 HydrophobicContact CB-CB 4.49Å; L566-E569 HydrophobicContact CD2-CG 4.23Å; L566-S570 VanDerWaalsContact O-CB 3.28Å; L566-S570 WeakPolarHBondContact O-CB 3.3Å; L566-S570 PolarHBondContact O-N 3.28Å
567E93.1Very high91Very high112 Ų11243.6 Ų43.652%0.52322%0.223SC..Hα-helixtrans-65.7-48.6178.7-71.5171.8-168.900112.2T565 E569 S570 Q571T565-E567 PolarHBondContact O-N 3.02Å; T565-E567 PolarHBondContact OG1-N 2.83Å; E567-E569 VanDerWaalsContact C-N 3.33Å; E567-E569 PolarHBondContact O-N 3.42Å; E567-S570 WeakPolarHBondContact O-CB 3.26Å; E567-S570 PolarHBondContact O-N 2.89Å; E567-Q571 WeakPolarHBondContact O-CG 3.33Å; E567-Q571 PolarHBondContact O-N 2.94Å
568D93.1Very high91.6Very high24 Ų2444.8 Ų44.813%0.12823%0.234CC..Hα-helixtrans-68-36-179.9-70.1-23.3000112.1R240 W279 L572R240-D568 IonicContact CZ-OD1 3.22Å; R240-D568 IonicContact CZ-OD2 2.83Å; R240-D568 IonicContact NH1-OD1 2.6Å; R240-D568 PolarHBondContact NH1-OD1 3.08Å; R240-D568 IonicContact NH1-OD2 3.59Å; R240-D568 PolarHBondContact NH1-OD2 3.14Å; R240-D568 IonicContact NH2-OD1 3.78Å; R240-D568 PolarHBondContact NH2-OD1 2.94Å; R240-D568 IonicContact NH2-OD2 3.61Å; R240-D568 PolarHBondContact NH2-OD2 2.87Å; W279-D568 HydrophobicContact CH2-CB 4.11Å; W279-D568 HydrophobicContact CZ2-CB 3.54Å; D568-L572 PolarHBondContact O-N 3.38Å
569E96Very high92.4Very high3 Ų340.5 Ų40.51%0.01421%0.212CC..Hα-helixtrans-61.8-47.5172.5-71.476.8-175.800110.1W279 L330 R331 L334 L566 E567 Q571 L572 I573W279-E569 HydrophobicContact CH2-CG 3.9Å; W279-E569 HydrophobicContact CZ3-CG 4.38Å; L330-E569 HydrophobicContact CD2-CB 4.04Å; L330-E569 HydrophobicContact CD2-CG 3.79Å; R331-E569 IonicContact CZ-OE1 3.43Å; R331-E569 IonicContact NE-OE1 2.77Å; R331-E569 PolarHBondContact NE-OE1 3.41Å; R331-E569 IonicContact NH2-OE1 2.72Å; R331-E569 PolarHBondContact NH2-OE1 3.2Å; L334-E569 HydrophobicContact CD2-CB 3.82Å; L334-E569 HydrophobicContact CD2-CG 3.88Å; L566-E569 VanDerWaalsContact CA-OE2 3.28Å; L566-E569 WeakPolarHBondContact CA-OE2 3.3Å; L566-E569 HydrophobicContact CB-CB 4.49Å; L566-E569 HydrophobicContact CD2-CG 4.23Å; E567-E569 VanDerWaalsContact C-N 3.33Å; E567-E569 PolarHBondContact O-N 3.42Å; E569-Q571 VanDerWaalsContact C-N 3.34Å; E569-Q571 PolarHBondContact O-N 2.92Å; E569-L572 PolarHBondContact O-N 3.38Å; E569-L572 VanDerWaalsContact O-N 3.12Å; E569-I573 WeakPolarHBondContact O-CB 3.44Å; E569-I573 WeakPolarHBondContact O-CD1 3.22Å; E569-I573 WeakPolarHBondContact O-CG1 3.31Å; E569-I573 PolarHBondContact O-N 2.94Å
570S96.3Very high92.8Very high35 Ų3538.9 Ų38.925%0.24520%0.204CC..Hα-helixtrans-58.5-44.4177.5-170.20000112.5Y360 L566 E567 L572 I573 S574Y360-S570 VanDerWaalsContact OH-CB 3.24Å; Y360-S570 WeakPolarHBondContact OH-CB 3.46Å; Y360-S570 PolarHBondContact OH-OG 2.95Å; Y360-S570 VanDerWaalsContact OH-OG 3.06Å; L566-S570 VanDerWaalsContact O-CB 3.28Å; L566-S570 WeakPolarHBondContact O-CB 3.3Å; L566-S570 PolarHBondContact O-N 3.28Å; E567-S570 WeakPolarHBondContact O-CB 3.26Å; E567-S570 PolarHBondContact O-N 2.89Å; S570-L572 VanDerWaalsContact C-N 3.34Å; S570-L572 PolarHBondContact O-N 3.48Å; S570-I573 PolarHBondContact O-N 3.01Å; S570-S574 WeakPolarHBondContact O-CB 3.44Å; S570-S574 PolarHBondContact O-N 3.33Å; S570-S574 PolarHBondContact O-OG 3.49Å
571Q95.9Very high92.8Very high116 Ų11643.6 Ų43.654%0.54223%0.23SC..Hα-helixtrans-61.4-42.9175.2-69.7176.113.800111.6E567 E569 T575E567-Q571 WeakPolarHBondContact O-CG 3.33Å; E567-Q571 PolarHBondContact O-N 2.94Å; E569-Q571 VanDerWaalsContact C-N 3.34Å; E569-Q571 PolarHBondContact O-N 2.92Å; Q571-T575 WeakPolarHBondContact O-CB 3.11Å; Q571-T575 PolarHBondContact O-N 3.29Å; Q571-T575 PolarHBondContact O-OG1 3.19Å
572L95.3Very high92.1Very high1 Ų149.7 Ų49.71%0.00525%0.252CS..Hα-helixtrans-68.1-43.2178.5-173.553.4000112.3W279 R282 L334 L338 D568 E569 S570 S574 T575 L576W279-L572 HydrophobicContact CZ3-CD2 4.47Å; R282-L572 HydrophobicContact CG-CD2 4.31Å; L334-L572 HydrophobicContact CD1-CB 4.38Å; L334-L572 HydrophobicContact CD1-CD2 3.99Å; L334-L572 HydrophobicContact CD1-CG 3.93Å; L334-L572 HydrophobicContact CD2-CB 4.16Å; L334-L572 HydrophobicContact CD2-CD2 3.91Å; L334-L572 HydrophobicContact CD2-CG 4.3Å; L334-L572 HydrophobicContact CG-CD2 3.69Å; L334-L572 HydrophobicContact CG-CG 4.16Å; L338-L572 HydrophobicContact CD2-CD1 4.21Å; L338-L572 HydrophobicContact CD2-CD2 4.12Å; D568-L572 PolarHBondContact O-N 3.38Å; E569-L572 PolarHBondContact O-N 3.38Å; E569-L572 VanDerWaalsContact O-N 3.12Å; S570-L572 VanDerWaalsContact C-N 3.34Å; S570-L572 PolarHBondContact O-N 3.48Å; L572-S574 VanDerWaalsContact C-N 3.33Å; L572-S574 PolarHBondContact O-N 3Å; L572-T575 PolarHBondContact O-N 3.34Å; L572-L576 HydrophobicContact CD1-CD1 4.27Å; L572-L576 HydrophobicContact CD1-CG 4.29Å; L572-L576 HydrophobicContact CG-CD1 4.09Å; L572-L576 WeakPolarHBondContact O-CB 3.22Å; L572-L576 PolarHBondContact O-N 3.29Å
573I97.1Very high90.6Very high8 Ų851.2 Ų51.24%0.04127%0.267CS..Hα-helixtrans-55.6-52.5175.8-71.1162.2000108.9L334 L353 V356 E357 Y360 E569 S570 T575 L576 K577L334-I573 HydrophobicContact CD1-CG1 3.75Å; L334-I573 HydrophobicContact CD2-CG1 4.12Å; L353-I573 HydrophobicContact CD1-CG1 4.44Å; L353-I573 HydrophobicContact CD1-CG2 4.27Å; V356-I573 HydrophobicContact CG1-CD1 3.56Å; V356-I573 HydrophobicContact CG1-CG1 3.68Å; E357-I573 HydrophobicContact CG-CG2 4.46Å; Y360-I573 HydrophobicContact CD2-CD1 3.75Å; Y360-I573 HydrophobicContact CE2-CD1 4.33Å; Y360-I573 HydrophobicContact CG-CD1 4.02Å; E569-I573 WeakPolarHBondContact O-CB 3.44Å; E569-I573 WeakPolarHBondContact O-CD1 3.22Å; E569-I573 WeakPolarHBondContact O-CG1 3.31Å; E569-I573 PolarHBondContact O-N 2.94Å; S570-I573 PolarHBondContact O-N 3.01Å; I573-T575 VanDerWaalsContact C-N 3.32Å; I573-T575 PolarHBondContact O-N 3.1Å; I573-L576 PolarHBondContact O-N 2.8Å; I573-K577 HydrophobicContact CG2-CD 4.19Å; I573-K577 WeakPolarHBondContact O-CG 3.46Å; I573-K577 PolarHBondContact O-N 3.4Å
574S96.4Very high88.4Confident60 Ų6054.1 Ų54.142%0.4229%0.288SS..Hα-helixtrans-59.1-44.2179-57.80000111.8S570 L572 K577 T578S570-S574 WeakPolarHBondContact O-CB 3.44Å; S570-S574 PolarHBondContact O-N 3.33Å; S570-S574 PolarHBondContact O-OG 3.49Å; L572-S574 VanDerWaalsContact C-N 3.33Å; L572-S574 PolarHBondContact O-N 3Å; S574-K577 PolarHBondContact O-N 3.32Å; S574-T578 WeakPolarHBondContact O-CG2 3.23Å; S574-T578 PolarHBondContact O-N 3.38Å; S574-T578 PolarHBondContact O-OG1 3.18Å
575T93.8Very high85.9Confident47 Ų4757.4 Ų57.429%0.28832%0.319SS..Hα-helixtrans-61.9-46177.3-58.10000111.6M1 Q571 L572 I573 T578 Y579M1-T575 HydrophobicContact CE-CG2 3.59Å; Q571-T575 WeakPolarHBondContact O-CB 3.11Å; Q571-T575 PolarHBondContact O-N 3.29Å; Q571-T575 PolarHBondContact O-OG1 3.19Å; L572-T575 PolarHBondContact O-N 3.34Å; I573-T575 VanDerWaalsContact C-N 3.32Å; I573-T575 PolarHBondContact O-N 3.1Å; T575-T578 PolarHBondContact O-N 3.32Å; T575-T578 PolarHBondContact O-OG1 3.27Å; T575-Y579 HydrophobicContact CG2-CD2 3.9Å; T575-Y579 HydrophobicContact CG2-CE2 3.49Å; T575-Y579 VanDerWaalsContact CG2-CE2 3.49Å; T575-Y579 WeakPolarHBondContact O-CD2 3.45Å; T575-Y579 PolarHBondContact O-N 3.35Å
576L93.8Very high83.2Confident0 Ų065.4 Ų65.40%034%0.342CS..Hα-helixtrans-65-42.1178.3-81.5169.1000112.6L334 L338 F341 L353 L572 I573 Y579 L580L334-L576 HydrophobicContact CD1-CD1 3.76Å; L338-L576 HydrophobicContact CB-CD1 4.07Å; L338-L576 HydrophobicContact CB-CD2 4.46Å; L338-L576 HydrophobicContact CD1-CD2 3.82Å; L338-L576 HydrophobicContact CD1-CG 4.47Å; F341-L576 HydrophobicContact CB-CD2 4.15Å; F341-L576 HydrophobicContact CD1-CD2 4.11Å; F341-L576 HydrophobicContact CG-CD2 4.16Å; L353-L576 HydrophobicContact CD2-CB 4.17Å; L572-L576 HydrophobicContact CD1-CD1 4.27Å; L572-L576 HydrophobicContact CD1-CG 4.29Å; L572-L576 HydrophobicContact CG-CD1 4.09Å; L572-L576 WeakPolarHBondContact O-CB 3.22Å; L572-L576 PolarHBondContact O-N 3.29Å; I573-L576 PolarHBondContact O-N 2.8Å; L576-Y579 PolarHBondContact O-N 3.2Å; L576-L580 WeakPolarHBondContact O-CB 3.33Å; L576-L580 WeakPolarHBondContact O-CG 3.47Å; L576-L580 PolarHBondContact O-N 3.41Å
577K94.7Very high80.1Confident68 Ų6871 Ų7130%0.29638%0.381SS..Hα-helixtrans-54.8-54.4174.2-74.3178.4176.1-169.10111.1L353 E357 I573 S574 Y579 L580 D581L353-K577 HydrophobicContact CD2-CG 3.82Å; E357-K577 WeakPolarHBondContact OE1-CE 3.49Å; E357-K577 IonicContact OE1-NZ 2.64Å; E357-K577 PolarHBondContact OE1-NZ 3.45Å; I573-K577 HydrophobicContact CG2-CD 4.19Å; I573-K577 WeakPolarHBondContact O-CG 3.46Å; I573-K577 PolarHBondContact O-N 3.4Å; S574-K577 PolarHBondContact O-N 3.32Å; K577-Y579 PolarHBondContact O-N 3.02Å; K577-Y579 VanDerWaalsContact O-N 3.09Å; K577-L580 PolarHBondContact O-N 2.79Å; K577-D581 WeakPolarHBondContact O-CB 3.37Å; K577-D581 PolarHBondContact O-N 3.16Å
578T93Very high77.2Confident80 Ų8075.5 Ų75.549%0.49142%0.416SS..Hα-helixtrans-57.8-30.8-179.458.80000113.1S574 T575 R582S574-T578 WeakPolarHBondContact O-CG2 3.23Å; S574-T578 PolarHBondContact O-N 3.38Å; S574-T578 PolarHBondContact O-OG1 3.18Å; T575-T578 PolarHBondContact O-N 3.32Å; T575-T578 PolarHBondContact O-OG1 3.27Å; T578-R582 WeakPolarHBondContact O-CG 3.42Å
579Y90.3Very high76.4Confident65 Ų6578.1 Ų78.126%0.25543%0.43SS..Hα-helixtrans-79.3-37.3174.3-73.3-55.5000114M1 A2 F341 T575 L576 K577 D581M1-Y579 HydrophobicContact CB-CD2 4.47Å; M1-Y579 HydrophobicContact CB-CE2 4.05Å; M1-Y579 HydrophobicContact CE-CE2 3.91Å; A2-Y579 HydrophobicContact CB-CD1 3.79Å; A2-Y579 HydrophobicContact CB-CE1 3.64Å; F341-Y579 HydrophobicContact CE1-CG 4.45Å; F341-Y579 HydrophobicContact CZ-CG 4.14Å; T575-Y579 HydrophobicContact CG2-CD2 3.9Å; T575-Y579 HydrophobicContact CG2-CE2 3.49Å; T575-Y579 VanDerWaalsContact CG2-CE2 3.49Å; T575-Y579 WeakPolarHBondContact O-CD2 3.45Å; T575-Y579 PolarHBondContact O-N 3.35Å; L576-Y579 PolarHBondContact O-N 3.2Å; K577-Y579 PolarHBondContact O-N 3.02Å; K577-Y579 VanDerWaalsContact O-N 3.09Å; Y579-D581 VanDerWaalsContact C-N 3.34Å
580L90.3Very high75.3Confident4 Ų482 Ų822%0.02145%0.452CS..Hα-helixtrans-74.4-25.9179.1-74.2168.4000112.8F341 D346 A349 R350 L353 L576 K577F341-L580 HydrophobicContact CD2-CD2 3.57Å; F341-L580 HydrophobicContact CD2-CG 4.07Å; F341-L580 HydrophobicContact CE2-CD2 4.06Å; F341-L580 HydrophobicContact CE2-CG 4.41Å; D346-L580 HydrophobicContact CB-CD2 3.89Å; A349-L580 HydrophobicContact CB-CD1 4.23Å; A349-L580 HydrophobicContact CB-CD2 4.06Å; R350-L580 HydrophobicContact CG-CB 4.35Å; R350-L580 HydrophobicContact CG-CD1 4.04Å; R350-L580 HydrophobicContact CG-CD2 4.15Å; R350-L580 HydrophobicContact CG-CG 4.43Å; R350-L580 PolarHBondContact NH2-O 3.01Å; L353-L580 HydrophobicContact CD2-CD1 3.64Å; L576-L580 WeakPolarHBondContact O-CB 3.33Å; L576-L580 WeakPolarHBondContact O-CG 3.47Å; L576-L580 PolarHBondContact O-N 3.41Å; K577-L580 PolarHBondContact O-N 2.79Å
581D86.3Confident74.2Confident120 Ų12084.6 Ų84.664%0.64246%0.464SS*.SBendtrans-84.5-11.1179.3-65.2-24000113K577 Y579 G583K577-D581 WeakPolarHBondContact O-CB 3.37Å; K577-D581 PolarHBondContact O-N 3.16Å; Y579-D581 VanDerWaalsContact C-N 3.34Å; D581-G583 PolarHBondContact O-N 3.09Å
582R73.2Confident72.9Confident173 Ų17382.8 Ų82.865%0.65346%0.459SS*.  trans-6714.7171.3-79.3174.7-174.9-151.1-0.4114.2T578T578-R582 WeakPolarHBondContact O-CG 3.42Å
583G59.4Low71.5Confident31 Ų3187.9 Ų87.932%0.3249%0.487SS..SBendtrans-67.9168.6168.300000111.6D581 A585D581-G583 PolarHBondContact O-N 3.09Å; G583-A585 PolarHBondContact O-N 3.46Å; G583-A585 VanDerWaalsContact O-N 3.07Å
584P44.6Very low69.8Low96 Ų9693.2 Ų93.262%0.62352%0.517SS*.PPolyproline II helixtrans-53.3121-160.223.2-32.9000109.8R586P584-R586 PolarHBondContact O-N 3.08Å
585A38.1Very low67.9Low95 Ų9595.6 Ų95.679%0.78552%0.524SS*.PPolyproline II helixtrans-47.2116.3165.400000106G583 S587G583-A585 PolarHBondContact O-N 3.46Å; G583-A585 VanDerWaalsContact O-N 3.07Å; A585-S587 PolarHBondContact O-N 3.07Å
586R32.8Very low65.9Low234 Ų23499.3 Ų99.388%0.88354%0.542SS*.  trans-54108.9172.5-76.3-178.5171.6177.3-2.3105.4P584 V588P584-R586 PolarHBondContact O-N 3.08Å; R586-V588 VanDerWaalsContact C-N 3.29Å; R586-V588 PolarHBondContact O-N 3.14Å
587S29.3Very low63.6Low119 Ų119107.6 Ų107.683%0.83259%0.587SS**  trans-60.3103163.754.90000105.2A585A585-S587 PolarHBondContact O-N 3.07Å
588V31Very low60.8Low206 Ų206111.2 Ų111.2100%1.24861%0.614SS**  trans-67.60166.2178.60000107.9R586R586-V588 VanDerWaalsContact C-N 3.29Å; R586-V588 PolarHBondContact O-N 3.14Å

Retrieved 588 of 588 residues in 321.4 ms (Link to these results)

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