A0A060W351_ONCMY Loading...

TLC domain containing 1

AlphaFold DB , UniProt , Accession A0A060W351, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110507754, Length 257 aa.

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

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
1M63.7Low78.2Confident123 Ų12390.4 Ų90.461%0.60647%0.47SS*.  0-45.90-76.2-174.8-84.800111.4A3 L4 L5 W65 A86 P87 M90M1-A3 VanDerWaalsContact C-N 3.29Å; M1-A3 PolarHBondContact O-N 3.34Å; M1-A3 VanDerWaalsContact O-N 3.16Å; M1-L4 PolarHBondContact O-N 3.26Å; M1-L5 PolarHBondContact O-N 3.47Å; M1-W65 HydrophobicContact SD-CZ2 3.94Å; M1-A86 HydrophobicContact CB-CB 4.35Å; M1-P87 HydrophobicContact CE-CB 4.06Å; M1-P87 HydrophobicContact CE-CG 3.69Å; M1-P87 HydrophobicContact SD-CB 3.79Å; M1-P87 HydrophobicContact SD-CG 3.79Å; M1-M90 HydrophobicContact CB-CE 3.59Å; M1-M90 HydrophobicContact CB-SD 4.06Å; M1-M90 HydrophobicContact CG-CE 3.88Å; M1-M90 HydrophobicContact CG-SD 3.68Å; M1-M90 WeakPolarHBondContact O-CE 3.37Å; M1-M90 HydrophobicContact SD-SD 4.03Å
2E74.3Confident78.9Confident124 Ų12483.5 Ų83.558%0.57944%0.435SS*.G310 helixtrans-49.7-41.7178.8-61.5-54.9139.800115L4 L5 P6 A86E2-L4 PolarHBondContact O-N 3.25Å; E2-L5 PolarHBondContact O-N 3.42Å; E2-P6 VanDerWaalsContact O-CD 3.32Å; E2-P6 WeakPolarHBondContact O-CD 3.43Å; E2-A86 VanDerWaalsContact OE1-CB 3.26Å; E2-A86 WeakPolarHBondContact OE1-CB 3.46Å
3A74.3Confident79.5Confident94 Ų9479.2 Ų79.278%0.77742%0.423SS*.G310 helixtrans-65.1-22.8178.700000114.8M1M1-A3 VanDerWaalsContact C-N 3.29Å; M1-A3 PolarHBondContact O-N 3.34Å; M1-A3 VanDerWaalsContact O-N 3.16Å
4L78.2Confident80.2Confident93 Ų9381.7 Ų81.749%0.48743%0.434SS..G310 helixtrans-90.3-24-178.5-155.183.3000111.7M1 E2 V7 L8 M90M1-L4 PolarHBondContact O-N 3.26Å; E2-L4 PolarHBondContact O-N 3.25Å; L4-V7 WeakPolarHBondContact O-CB 3.29Å; L4-V7 PolarHBondContact O-N 3.49Å; L4-V7 VanDerWaalsContact O-N 3.16Å; L4-L8 HydrophobicContact CD2-CD1 4.04Å; L4-L8 HydrophobicContact CD2-CD2 4.35Å; L4-L8 HydrophobicContact CD2-CG 4.3Å; L4-L8 HydrophobicContact CG-CD1 4.33Å; L4-L8 HydrophobicContact CG-CG 4.27Å; L4-L8 WeakPolarHBondContact O-CG 3.49Å; L4-L8 PolarHBondContact O-N 3.02Å; L4-M90 HydrophobicContact CB-CE 3.65Å; L4-M90 HydrophobicContact CD2-CE 4.04Å; L4-M90 HydrophobicContact CD2-SD 4.27Å; L4-M90 HydrophobicContact CG-CE 4.43Å
5L81.6Confident80.9Confident21 Ų2177.1 Ų77.111%0.1141%0.41CS..Hα-helixtrans-52.7-49.7-178-17662.3000114.1M1 E2 V7 L8 Q9 A86 Y89M1-L5 PolarHBondContact O-N 3.47Å; E2-L5 PolarHBondContact O-N 3.42Å; L5-V7 VanDerWaalsContact C-N 3.26Å; L5-V7 PolarHBondContact O-N 3.39Å; L5-L8 PolarHBondContact O-N 3.07Å; L5-L8 VanDerWaalsContact O-N 3.13Å; L5-Q9 HydrophobicContact CD1-CG 4.04Å; L5-Q9 HydrophobicContact CG-CG 4.3Å; L5-Q9 WeakPolarHBondContact O-CG 3.34Å; L5-Q9 PolarHBondContact O-N 3.49Å; L5-A86 HydrophobicContact CB-CB 3.98Å; L5-A86 HydrophobicContact CD1-CB 4.32Å; L5-A86 HydrophobicContact CD2-CB 3.86Å; L5-A86 HydrophobicContact CG-CB 4.27Å; L5-Y89 HydrophobicContact CD1-CD1 3.75Å; L5-Y89 HydrophobicContact CD1-CG 3.83Å
6P76.5Confident81.6Confident76 Ų7672.8 Ų72.849%0.49439%0.388SS..Hα-helixtrans-64.8-30.8-178.622.8-32.6000112.8E2 R10E2-P6 VanDerWaalsContact O-CD 3.32Å; E2-P6 WeakPolarHBondContact O-CD 3.43Å; P6-R10 WeakPolarHBondContact O-CB 3.49Å; P6-R10 PolarHBondContact O-N 2.95Å; P6-R10 VanDerWaalsContact O-N 3.15Å
7V77.9Confident82.3Confident92 Ų9273.9 Ų73.956%0.55839%0.393SS*.Hα-helixtrans-68.3-43.4175-179.50000110.4L4 L5 R10 H11L4-V7 WeakPolarHBondContact O-CB 3.29Å; L4-V7 PolarHBondContact O-N 3.49Å; L4-V7 VanDerWaalsContact O-N 3.16Å; L5-V7 VanDerWaalsContact C-N 3.26Å; L5-V7 PolarHBondContact O-N 3.39Å; V7-R10 PolarHBondContact O-N 3.5Å; V7-H11 PolarHBondContact O-N 3.29Å
8L78.2Confident82.9Confident20 Ų2074.3 Ų74.311%0.10540%0.399CS..Hα-helixtrans-66.7-39.6179.6-62.8171.4000112.4L4 L5 H11 P12 S15 Y89 M90L4-L8 HydrophobicContact CD2-CD1 4.04Å; L4-L8 HydrophobicContact CD2-CD2 4.35Å; L4-L8 HydrophobicContact CD2-CG 4.3Å; L4-L8 HydrophobicContact CG-CD1 4.33Å; L4-L8 HydrophobicContact CG-CG 4.27Å; L4-L8 WeakPolarHBondContact O-CG 3.49Å; L4-L8 PolarHBondContact O-N 3.02Å; L5-L8 PolarHBondContact O-N 3.07Å; L5-L8 VanDerWaalsContact O-N 3.13Å; L8-H11 CarbonylContact O-C 3.32Å; L8-H11 VanDerWaalsContact O-C 3.32Å; L8-P12 WeakPolarHBondContact O-CA 3.42Å; L8-S15 WeakPolarHBondContact CA-OG 3.44Å; L8-S15 VanDerWaalsContact CD2-OG 3.28Å; L8-S15 WeakPolarHBondContact CD2-OG 3.38Å; L8-S15 PolarHBondContact O-OG 3.14Å; L8-Y89 HydrophobicContact CB-CD1 4.29Å; L8-Y89 HydrophobicContact CB-CE1 3.95Å; L8-M90 HydrophobicContact CD1-CE 3.96Å; L8-M90 HydrophobicContact CD1-CG 3.45Å; L8-M90 VanDerWaalsContact CD1-CG 3.45Å; L8-M90 HydrophobicContact CD1-SD 4.31Å
9Q82.6Confident83.4Confident49 Ų4971.6 Ų71.623%0.22939%0.386CS..Hα-helixtrans-68.5-35.8178.8-73.4175.4-30.900112.3L5 H11 P12 Y84 Y89L5-Q9 HydrophobicContact CD1-CG 4.04Å; L5-Q9 HydrophobicContact CG-CG 4.3Å; L5-Q9 WeakPolarHBondContact O-CG 3.34Å; L5-Q9 PolarHBondContact O-N 3.49Å; Q9-H11 VanDerWaalsContact C-N 3.3Å; Q9-H11 PolarHBondContact O-N 3.21Å; Q9-P12 WeakPolarHBondContact O-CD 3.18Å; Q9-P12 WeakPolarHBondContact O-CG 3.29Å; Q9-Y84 PolarHBondContact NE2-OH 3.45Å; Q9-Y84 VanDerWaalsContact NE2-OH 3.11Å; Q9-Y89 HydrophobicContact CG-CE1 4.07Å; Q9-Y89 HydrophobicContact CG-CE2 4.38Å
10R85.9Confident83.8Confident198 Ų19868.6 Ų68.675%0.74737%0.371SS*.Hα-helixtrans-67-32.4179.5-165.3175.2-176.5153.30.9112.6P6 V7P6-R10 WeakPolarHBondContact O-CB 3.49Å; P6-R10 PolarHBondContact O-N 2.95Å; P6-R10 VanDerWaalsContact O-N 3.15Å; V7-R10 PolarHBondContact O-N 3.5Å
11H87.1Confident84.3Confident104 Ų10469.6 Ų69.648%0.48138%0.376SS..  trans-137.373.5179.3-58.2-65.6000112V7 L8 Q9 G13 M14 S15V7-H11 PolarHBondContact O-N 3.29Å; L8-H11 CarbonylContact O-C 3.32Å; L8-H11 VanDerWaalsContact O-C 3.32Å; Q9-H11 VanDerWaalsContact C-N 3.3Å; Q9-H11 PolarHBondContact O-N 3.21Å; H11-G13 PolarHBondContact O-N 3.04Å; H11-M14 HydrophobicContact CB-CB 3.92Å; H11-M14 HydrophobicContact CB-CG 4.08Å; H11-M14 PolarHBondContact O-N 3.31Å; H11-S15 PolarHBondContact O-N 3.1Å; H11-S15 PolarHBondContact O-OG 3.43Å
12P86.3Confident85.6Confident8 Ų869.9 Ų69.95%0.05238%0.377CS..Hα-helixtrans-61-42.9-177.1-22.834.4000112.2L8 Q9 M14 S15 V16 L133 Y134L8-P12 WeakPolarHBondContact O-CA 3.42Å; Q9-P12 WeakPolarHBondContact O-CD 3.18Å; Q9-P12 WeakPolarHBondContact O-CG 3.29Å; P12-M14 PolarHBondContact O-N 3.46Å; P12-S15 WeakPolarHBondContact O-CB 3.24Å; P12-S15 PolarHBondContact O-N 3.29Å; P12-V16 WeakPolarHBondContact O-CG2 3.38Å; P12-V16 PolarHBondContact O-N 3.22Å; P12-L133 HydrophobicContact CB-CB 4.13Å; P12-Y134 HydrophobicContact CB-CD1 4.32Å; P12-Y134 HydrophobicContact CB-CE1 4.15Å; P12-Y134 HydrophobicContact CG-CD1 4.03Å; P12-Y134 HydrophobicContact CG-CE1 4.09Å
13G87.3Confident86.3Confident27 Ų2764.8 Ų64.828%0.27835%0.354SS..Hα-helixtrans-60.9-42.4177.300000113.8H11 S15 V16 L17 Y134H11-G13 PolarHBondContact O-N 3.04Å; G13-S15 VanDerWaalsContact C-N 3.32Å; G13-S15 PolarHBondContact O-N 3.04Å; G13-V16 PolarHBondContact O-N 3.39Å; G13-L17 WeakPolarHBondContact O-CB 3.28Å; G13-L17 PolarHBondContact O-N 2.97Å; G13-Y134 WeakPolarHBondContact CA-OH 3.19Å; G13-Y134 PolarHBondContact N-OH 2.78Å
14M88.8Confident87Confident115 Ų11566.7 Ų66.757%0.56734%0.34SS*.Hα-helixtrans-66.9-37176.5-66-58.2-65.900111.6H11 P12 L17 V18H11-M14 HydrophobicContact CB-CB 3.92Å; H11-M14 HydrophobicContact CB-CG 4.08Å; H11-M14 PolarHBondContact O-N 3.31Å; P12-M14 PolarHBondContact O-N 3.46Å; M14-L17 HydrophobicContact CE-CD2 4.47Å; M14-L17 PolarHBondContact O-N 2.91Å; M14-V18 WeakPolarHBondContact O-CG2 3.24Å; M14-V18 PolarHBondContact O-N 3.15Å
15S90.6Very high87.6Confident12 Ų1266 Ų668%0.08434%0.34CS..Hα-helixtrans-61.5-47.5175.9-55.90000111.4L8 H11 P12 G13 L17 V18 C19L8-S15 WeakPolarHBondContact CA-OG 3.44Å; L8-S15 VanDerWaalsContact CD2-OG 3.28Å; L8-S15 WeakPolarHBondContact CD2-OG 3.38Å; L8-S15 PolarHBondContact O-OG 3.14Å; H11-S15 PolarHBondContact O-N 3.1Å; H11-S15 PolarHBondContact O-OG 3.43Å; P12-S15 WeakPolarHBondContact O-CB 3.24Å; P12-S15 PolarHBondContact O-N 3.29Å; G13-S15 VanDerWaalsContact C-N 3.32Å; G13-S15 PolarHBondContact O-N 3.04Å; S15-L17 VanDerWaalsContact C-N 3.33Å; S15-L17 PolarHBondContact O-N 3.3Å; S15-V18 PolarHBondContact O-N 2.87Å; S15-C19 PolarHBondContact O-N 3.42Å; S15-C19 PolarHBondContact O-SG 3.43Å; S15-C19 VanDerWaalsContact O-SG 3.36Å
16V93Very high87.8Confident8 Ų866.4 Ų66.45%0.04835%0.347CS..Hα-helixtrans-60.6-42.4175.2172.30000111.1P12 G13 C19 A20 G97 V100 L130 L133P12-V16 WeakPolarHBondContact O-CG2 3.38Å; P12-V16 PolarHBondContact O-N 3.22Å; G13-V16 PolarHBondContact O-N 3.39Å; V16-C19 PolarHBondContact O-N 2.88Å; V16-A20 WeakPolarHBondContact O-CB 3.36Å; V16-A20 PolarHBondContact O-N 3.35Å; V16-G97 WeakPolarHBondContact O-CA 3.19Å; V16-V100 HydrophobicContact CG1-CG2 4.1Å; V16-L130 HydrophobicContact CG2-CD2 4.25Å; V16-L133 HydrophobicContact CG2-CD1 3.72Å
17L92.6Very high88.3Confident92 Ų9263.3 Ų63.348%0.48233%0.325SS..Hα-helixtrans-63.2-44.6177.2-173.6115.5000112.1G13 M14 S15 C19 A20 L21G13-L17 WeakPolarHBondContact O-CB 3.28Å; G13-L17 PolarHBondContact O-N 2.97Å; M14-L17 HydrophobicContact CE-CD2 4.47Å; M14-L17 PolarHBondContact O-N 2.91Å; S15-L17 VanDerWaalsContact C-N 3.33Å; S15-L17 PolarHBondContact O-N 3.3Å; L17-C19 VanDerWaalsContact C-N 3.34Å; L17-C19 PolarHBondContact O-N 3.37Å; L17-A20 WeakPolarHBondContact O-CB 3.32Å; L17-A20 PolarHBondContact O-N 3.01Å; L17-L21 HydrophobicContact CD2-CD1 4.08Å; L17-L21 WeakPolarHBondContact O-CG 3.49Å; L17-L21 PolarHBondContact O-N 3.07Å
18V92.4Very high88.7Confident81 Ų8165.9 Ų65.949%0.49133%0.325SS..Hα-helixtrans-60.2-45.6175.41700000110.4M14 S15 A20 L21 M22M14-V18 WeakPolarHBondContact O-CG2 3.24Å; M14-V18 PolarHBondContact O-N 3.15Å; S15-V18 PolarHBondContact O-N 2.87Å; V18-A20 VanDerWaalsContact C-N 3.34Å; V18-A20 PolarHBondContact O-N 3.39Å; V18-L21 PolarHBondContact O-N 2.7Å; V18-M22 WeakPolarHBondContact O-CG 3.44Å; V18-M22 PolarHBondContact O-N 3.32Å
19C92.6Very high89.1Confident23 Ų2370.3 Ų70.316%0.15535%0.348CS..Hα-helixtrans-59.5-42.9174.4-69.50000111.9S15 V16 L17 L21 M22 F23S15-C19 PolarHBondContact O-N 3.42Å; S15-C19 PolarHBondContact O-SG 3.43Å; S15-C19 VanDerWaalsContact O-SG 3.36Å; V16-C19 PolarHBondContact O-N 2.88Å; L17-C19 VanDerWaalsContact C-N 3.34Å; L17-C19 PolarHBondContact O-N 3.37Å; C19-L21 VanDerWaalsContact C-N 3.33Å; C19-L21 PolarHBondContact O-N 2.95Å; C19-M22 WeakPolarHBondContact O-CB 3.31Å; C19-M22 PolarHBondContact O-N 3.13Å; C19-F23 WeakPolarHBondContact O-CD2 3.5Å; C19-F23 PolarHBondContact O-N 3.18Å
20A92.8Very high89.1Confident12 Ų1269.9 Ų69.910%0.09935%0.347CS..Hα-helixtrans-61.4-40176.500000112.3V16 L17 V18 F23 R24 G97 V100 Q101V16-A20 WeakPolarHBondContact O-CB 3.36Å; V16-A20 PolarHBondContact O-N 3.35Å; L17-A20 WeakPolarHBondContact O-CB 3.32Å; L17-A20 PolarHBondContact O-N 3.01Å; V18-A20 VanDerWaalsContact C-N 3.34Å; V18-A20 PolarHBondContact O-N 3.39Å; A20-F23 PolarHBondContact O-N 2.98Å; A20-R24 PolarHBondContact O-N 3.1Å; A20-G97 VanDerWaalsContact CA-O 3.28Å; A20-G97 WeakPolarHBondContact CA-O 3.2Å; A20-G97 VanDerWaalsContact CB-O 3.26Å; A20-G97 WeakPolarHBondContact CB-O 3.48Å; A20-V100 HydrophobicContact CB-CB 4.37Å; A20-V100 HydrophobicContact CB-CG1 4.23Å; A20-Q101 HydrophobicContact CB-CB 4.29Å
21L92.6Very high88.7Confident90 Ų9063.9 Ų63.947%0.47133%0.328SS..Hα-helixtrans-66.3-39.3174.9-67.9174.7000111.9L17 V18 C19 R24 V25L17-L21 HydrophobicContact CD2-CD1 4.08Å; L17-L21 WeakPolarHBondContact O-CG 3.49Å; L17-L21 PolarHBondContact O-N 3.07Å; V18-L21 PolarHBondContact O-N 2.7Å; C19-L21 VanDerWaalsContact C-N 3.33Å; C19-L21 PolarHBondContact O-N 2.95Å; L21-R24 WeakPolarHBondContact O-CB 3.46Å; L21-R24 PolarHBondContact O-N 2.98Å; L21-R24 VanDerWaalsContact O-N 3.16Å; L21-V25 WeakPolarHBondContact O-CG2 3.37Å; L21-V25 PolarHBondContact O-N 2.83Å
22M91.5Very high88.4Confident128 Ų12865.2 Ų65.263%0.63134%0.338SS*.Hα-helixtrans-61.2-44.2174-70.4-63.7-67.700111.6V18 C19 R24 V25 A26V18-M22 WeakPolarHBondContact O-CG 3.44Å; V18-M22 PolarHBondContact O-N 3.32Å; C19-M22 WeakPolarHBondContact O-CB 3.31Å; C19-M22 PolarHBondContact O-N 3.13Å; M22-R24 VanDerWaalsContact C-N 3.3Å; M22-R24 PolarHBondContact O-N 3.08Å; M22-V25 PolarHBondContact O-N 3.35Å; M22-A26 PolarHBondContact O-N 2.74Å
23F89.9Confident88Confident18 Ų1869.6 Ų69.68%0.07936%0.361CS..Hα-helixtrans-64.4-33.7173.6-86.1-76.4000112.5C19 A20 V25 A26 H27 V54 H58 I94 Y98 Q101C19-F23 WeakPolarHBondContact O-CD2 3.5Å; C19-F23 PolarHBondContact O-N 3.18Å; A20-F23 PolarHBondContact O-N 2.98Å; F23-V25 VanDerWaalsContact C-N 3.32Å; F23-V25 PolarHBondContact O-N 3.42Å; F23-A26 PolarHBondContact O-N 2.94Å; F23-H27 WeakPolarHBondContact O-CB 3.45Å; F23-H27 PolarHBondContact O-N 3.43Å; F23-V54 HydrophobicContact CD1-CG1 4.32Å; F23-H58 HydrophobicContact CE1-CB 4.08Å; F23-H58 HydrophobicContact CZ-CB 4.44Å; F23-H58 AromaticContact CZ-ND1 3.89Å; F23-I94 HydrophobicContact CE2-CG2 3.79Å; F23-I94 WeakPolarHBondContact CE2-O 3.36Å; F23-I94 HydrophobicContact CZ-CG2 4.08Å; F23-Y98 AromaticContact CD1-CD2 3.77Å; F23-Y98 HydrophobicContact CD1-CD2 3.77Å; F23-Y98 HydrophobicContact CD1-CG 4.49Å; F23-Y98 AromaticContact CE1-CD2 3.86Å; F23-Y98 HydrophobicContact CE1-CD2 3.86Å; F23-Y98 HydrophobicContact CE1-CG 4.36Å; F23-Y98 HydrophobicContact CG-CD2 4.24Å; F23-Y98 HydrophobicContact CZ-CD2 4.4Å; F23-Y98 HydrophobicContact CZ-CG 4.45Å; F23-Q101 HydrophobicContact CB-CB 4.13Å; F23-Q101 HydrophobicContact CB-CG 4.05Å
24R89.6Confident87.6Confident133 Ų13373.9 Ų73.950%0.50238%0.384SS..Hα-helixtrans-64.2-37.9173.5-169.5177-172.5-175.42.2112.1A20 L21 M22 R28 Q101A20-R24 PolarHBondContact O-N 3.1Å; L21-R24 WeakPolarHBondContact O-CB 3.46Å; L21-R24 PolarHBondContact O-N 2.98Å; L21-R24 VanDerWaalsContact O-N 3.16Å; M22-R24 VanDerWaalsContact C-N 3.3Å; M22-R24 PolarHBondContact O-N 3.08Å; R24-R28 WeakPolarHBondContact O-CG 3.37Å; R24-R28 PolarHBondContact O-N 2.91Å; R24-R28 VanDerWaalsContact O-N 3.16Å; R24-Q101 HydrophobicContact CB-CG 4.18Å
25V89.3Confident87.3Confident79 Ų7970 Ų7048%0.47937%0.367SS..Hα-helixtrans-66.4-46.6172.6175.40000110.3L21 M22 F23 H27 R28 L29L21-V25 WeakPolarHBondContact O-CG2 3.37Å; L21-V25 PolarHBondContact O-N 2.83Å; M22-V25 PolarHBondContact O-N 3.35Å; F23-V25 VanDerWaalsContact C-N 3.32Å; F23-V25 PolarHBondContact O-N 3.42Å; V25-H27 VanDerWaalsContact C-N 3.3Å; V25-H27 PolarHBondContact O-N 3.48Å; V25-R28 WeakPolarHBondContact O-CB 3.46Å; V25-R28 PolarHBondContact O-N 3.23Å; V25-R28 VanDerWaalsContact O-N 3.11Å; V25-L29 HydrophobicContact CG1-CD1 4.2Å; V25-L29 HydrophobicContact CG1-CG 4.46Å; V25-L29 WeakPolarHBondContact O-CG 3.21Å; V25-L29 PolarHBondContact O-N 2.66Å
26A86.8Confident86.9Confident30 Ų3071.4 Ų71.425%0.24838%0.376CS..Hα-helixtrans-57.9-42.7176.400000112.1M22 F23 R28 L29 L30M22-A26 PolarHBondContact O-N 2.74Å; F23-A26 PolarHBondContact O-N 2.94Å; A26-R28 PolarHBondContact O-N 2.95Å; A26-L29 PolarHBondContact O-N 3.45Å; A26-L30 WeakPolarHBondContact O-CB 3.35Å; A26-L30 WeakPolarHBondContact O-CG 3.36Å; A26-L30 PolarHBondContact O-N 3.49Å
27H87.3Confident86.3Confident10 Ų1080.2 Ų80.25%0.04641%0.413CS..Hα-helixtrans-56.2-49174.1-175.6114.7000110.8F23 V25 L29 L30 Q31 V54 D105F23-H27 WeakPolarHBondContact O-CB 3.45Å; F23-H27 PolarHBondContact O-N 3.43Å; V25-H27 VanDerWaalsContact C-N 3.3Å; V25-H27 PolarHBondContact O-N 3.48Å; H27-L29 VanDerWaalsContact C-N 3.33Å; H27-L29 PolarHBondContact O-N 3.08Å; H27-L30 PolarHBondContact O-N 2.89Å; H27-Q31 PolarHBondContact CD2-NE2 2.92Å; H27-Q31 PolarHBondContact NE2-NE2 3.04Å; H27-Q31 WeakPolarHBondContact O-CG 3.35Å; H27-Q31 PolarHBondContact O-N 3.15Å; H27-V54 HydrophobicContact CB-CG2 3.94Å; H27-V54 WeakPolarHBondContact ND1-CG2 3.41Å; H27-D105 IonicContact CE1-OD1 3.44Å; H27-D105 IonicContact CE1-OD2 3.42Å
28R86.1Confident85.5Confident147 Ų14777.8 Ų77.856%0.55541%0.406SS*.Hα-helixtrans-61.3-39.4177.3-72.2179.1179.6-179.9-0.5112.7R24 V25 A26 Q31R24-R28 WeakPolarHBondContact O-CG 3.37Å; R24-R28 PolarHBondContact O-N 2.91Å; R24-R28 VanDerWaalsContact O-N 3.16Å; V25-R28 WeakPolarHBondContact O-CB 3.46Å; V25-R28 PolarHBondContact O-N 3.23Å; V25-R28 VanDerWaalsContact O-N 3.11Å; A26-R28 PolarHBondContact O-N 2.95Å; R28-Q31 WeakPolarHBondContact O-CB 3.39Å; R28-Q31 PolarHBondContact O-N 3.44Å
29L85.6Confident84.9Confident112 Ų11273.9 Ų73.959%0.58638%0.383SS*.Hα-helixtrans-65.9-41.3176.9-67.1173.5000111.4V25 A26 H27 Q31 N32V25-L29 HydrophobicContact CG1-CD1 4.2Å; V25-L29 HydrophobicContact CG1-CG 4.46Å; V25-L29 WeakPolarHBondContact O-CG 3.21Å; V25-L29 PolarHBondContact O-N 2.66Å; A26-L29 PolarHBondContact O-N 3.45Å; H27-L29 VanDerWaalsContact C-N 3.33Å; H27-L29 PolarHBondContact O-N 3.08Å; L29-Q31 VanDerWaalsContact C-N 3.26Å; L29-Q31 PolarHBondContact O-N 3.46Å; L29-N32 WeakPolarHBondContact O-CB 3.49Å; L29-N32 PolarHBondContact O-N 3.31Å; L29-N32 VanDerWaalsContact O-N 3.16Å
30L82.3Confident84.3Confident40 Ų4075.5 Ų75.521%0.20940%0.398CS..Hα-helixtrans-67.1-25.6177.7-72.9167000112.8A26 H27 N32 L33 V54 V57A26-L30 WeakPolarHBondContact O-CB 3.35Å; A26-L30 WeakPolarHBondContact O-CG 3.36Å; A26-L30 PolarHBondContact O-N 3.49Å; H27-L30 PolarHBondContact O-N 2.89Å; L30-N32 PolarHBondContact O-N 3.14Å; L30-L33 HydrophobicContact CD2-CD1 3.59Å; L30-L33 WeakPolarHBondContact O-CB 3.1Å; L30-L33 PolarHBondContact O-N 3.45Å; L30-L33 VanDerWaalsContact O-N 3.12Å; L30-V54 HydrophobicContact CD1-CB 4.29Å; L30-V54 HydrophobicContact CD1-CG2 3.8Å; L30-V57 HydrophobicContact CD1-CG2 4.08Å; L30-V57 HydrophobicContact CD2-CG2 4.44Å
31Q79.2Confident83.6Confident72 Ų7280.9 Ų80.934%0.33643%0.429SS..THydrogen-bonded Turntrans-63.5-19.6173.5-72.2178.5-11.200113.4H27 R28 L29 L33H27-Q31 PolarHBondContact CD2-NE2 2.92Å; H27-Q31 PolarHBondContact NE2-NE2 3.04Å; H27-Q31 WeakPolarHBondContact O-CG 3.35Å; H27-Q31 PolarHBondContact O-N 3.15Å; R28-Q31 WeakPolarHBondContact O-CB 3.39Å; R28-Q31 PolarHBondContact O-N 3.44Å; L29-Q31 VanDerWaalsContact C-N 3.26Å; L29-Q31 PolarHBondContact O-N 3.46Å; Q31-L33 VanDerWaalsContact C-N 3.26Å; Q31-L33 PolarHBondContact O-N 3.03Å
32N79.7Confident83Confident132 Ų13279.2 Ų79.271%0.70642%0.421SS*.THydrogen-bonded Turntrans-78.9-9.7176.7-61.6-29.7000113.1L29 L30L29-N32 WeakPolarHBondContact O-CB 3.49Å; L29-N32 PolarHBondContact O-N 3.31Å; L29-N32 VanDerWaalsContact O-N 3.16Å; L30-N32 PolarHBondContact O-N 3.14Å
33L78.9Confident82.6Confident100 Ų10080 Ų8052%0.52443%0.427SS..SBendtrans-74.9144.9178.7-66176.5000111.4L30 Q31 V35L30-L33 HydrophobicContact CD2-CD1 3.59Å; L30-L33 WeakPolarHBondContact O-CB 3.1Å; L30-L33 PolarHBondContact O-N 3.45Å; L30-L33 VanDerWaalsContact O-N 3.12Å; Q31-L33 VanDerWaalsContact C-N 3.26Å; Q31-L33 PolarHBondContact O-N 3.03Å; L33-V35 PolarHBondContact O-N 3.5Å
34P77.2Confident82.2Confident118 Ų11882.5 Ų82.577%0.76644%0.438SS*.PPolyproline II helixtrans-64128.3179.225.9-33.2000110.7
35V82.6Confident81.9Confident33 Ų3379.3 Ų79.320%0.243%0.426CS..PPolyproline II helixtrans-85.6133.2173.6179.90000108.5L33 K37 V39 A40L33-V35 PolarHBondContact O-N 3.5Å; V35-K37 PolarHBondContact O-N 3.28Å; V35-V39 HydrophobicContact CG1-CB 3.74Å; V35-V39 HydrophobicContact CG1-CG1 3.62Å; V35-A40 HydrophobicContact CG1-CB 4.4Å
36P83.1Confident81.7Confident42 Ų4276.4 Ų76.427%0.27341%0.41SS..PPolyproline II helixtrans-56.1140.4177.3-24.833.1000111.8A38 V39 A40 W49P36-A38 PolarHBondContact O-N 3.04Å; P36-A38 VanDerWaalsContact O-N 3.09Å; P36-V39 HydrophobicContact CB-CG2 4.13Å; P36-V39 HydrophobicContact CG-CG2 4.3Å; P36-V39 WeakPolarHBondContact O-CA 3.28Å; P36-V39 WeakPolarHBondContact O-CB 3.46Å; P36-V39 PolarHBondContact O-N 3.41Å; P36-A40 PolarHBondContact O-N 3.39Å; P36-W49 HydrophobicContact CG-CH2 3.58Å; P36-W49 HydrophobicContact CG-CZ2 3.62Å; P36-W49 HydrophobicContact CG-CZ3 4.05Å
37K80.3Confident81.6Confident192 Ų19276.7 Ų76.784%0.83540%0.404SS*.THydrogen-bonded Turntrans-53.4-35.4-179.8-67-176.7179.2-179.70113V35 V39 A40 V41V35-K37 PolarHBondContact O-N 3.28Å; K37-V39 PolarHBondContact O-N 2.92Å; K37-A40 PolarHBondContact O-N 2.93Å; K37-V41 WeakPolarHBondContact O-CG2 3.27Å
38A76.1Confident81.6Confident41 Ų4179.9 Ų79.934%0.33942%0.418SS..THydrogen-bonded Turntrans-66.7-21.3177.600000114.3P36 R45P36-A38 PolarHBondContact O-N 3.04Å; P36-A38 VanDerWaalsContact O-N 3.09Å; A38-R45 PolarHBondContact O-NH1 3.21Å
39V79.8Confident81.7Confident0 Ų074.8 Ų74.80%040%0.399CS..THydrogen-bonded Turntrans-95.8-36.5179.4177.50000110.5V35 P36 K37 V41 D42 R45 S46 W49 L163V35-V39 HydrophobicContact CG1-CB 3.74Å; V35-V39 HydrophobicContact CG1-CG1 3.62Å; P36-V39 HydrophobicContact CB-CG2 4.13Å; P36-V39 HydrophobicContact CG-CG2 4.3Å; P36-V39 WeakPolarHBondContact O-CA 3.28Å; P36-V39 WeakPolarHBondContact O-CB 3.46Å; P36-V39 PolarHBondContact O-N 3.41Å; K37-V39 PolarHBondContact O-N 2.92Å; V39-V41 PolarHBondContact O-N 3.25Å; V39-D42 PolarHBondContact O-N 3.09Å; V39-R45 HydrophobicContact CG1-CB 4.16Å; V39-R45 WeakPolarHBondContact CG1-O 3.46Å; V39-S46 PolarHBondContact O-OG 3.39Å; V39-W49 HydrophobicContact CG1-CB 3.66Å; V39-W49 HydrophobicContact CG1-CD2 4.44Å; V39-W49 HydrophobicContact CG1-CG 4.11Å; V39-W49 HydrophobicContact CG2-CD2 4.42Å; V39-W49 HydrophobicContact CG2-CE3 3.87Å; V39-W49 HydrophobicContact CG2-CZ3 4.31Å; V39-L163 HydrophobicContact CG2-CB 4.29Å; V39-L163 WeakPolarHBondContact CG2-O 3.49Å
40A79.4Confident81.8Confident57 Ų5773.6 Ų73.647%0.47139%0.386SS..THydrogen-bonded Turntrans-64.6-5.3-178.100000115.2V35 P36 K37 D42 S46V35-A40 HydrophobicContact CG1-CB 4.4Å; P36-A40 PolarHBondContact O-N 3.39Å; K37-A40 PolarHBondContact O-N 2.93Å; A40-D42 VanDerWaalsContact C-N 3.34Å; A40-S46 WeakPolarHBondContact CA-OG 3.37Å
41V77.4Confident82.1Confident124 Ų12472.4 Ų72.475%0.75238%0.38SS*.THydrogen-bonded Turntrans-75.1-24.8179.3-173.80000112.3K37 V39K37-V41 WeakPolarHBondContact O-CG2 3.27Å; V39-V41 PolarHBondContact O-N 3.25Å
42D81.3Confident82.5Confident56 Ų5669.5 Ų69.530%0.29937%0.367SS..  trans-131.5130-175.8171.442.5000110.4V39 A40 F44 R45 S46V39-D42 PolarHBondContact O-N 3.09Å; A40-D42 VanDerWaalsContact C-N 3.34Å; D42-F44 VanDerWaalsContact C-N 3.27Å; D42-F44 PolarHBondContact O-N 3.04Å; D42-F44 PolarHBondContact OD1-N 2.89Å; D42-R45 HydrophobicContact CB-CB 4.09Å; D42-R45 HydrophobicContact CB-CG 4.17Å; D42-R45 PolarHBondContact O-N 3.45Å; D42-R45 VanDerWaalsContact OD2-CG 3.24Å; D42-R45 WeakPolarHBondContact OD2-CG 3.38Å; D42-R45 PolarHBondContact OD2-N 3.3Å; D42-S46 WeakPolarHBondContact O-CB 3.21Å; D42-S46 PolarHBondContact O-N 2.93Å; D42-S46 PolarHBondContact O-OG 3.08Å
43D82.3Confident83Confident144 Ų14464.1 Ų64.177%0.7734%0.34SS*.Hα-helixtrans-62.3-38.1-178.2-72-28.9000111S46 W47D43-S46 PolarHBondContact O-N 3.32Å; D43-W47 WeakPolarHBondContact O-CB 3.44Å; D43-W47 PolarHBondContact O-N 2.85Å
44F81.4Confident83.6Confident70 Ų7059.4 Ų59.431%0.30732%0.315SS..Hα-helixtrans-67-45.7177.5176.3-107.9000111.8D42 S46 W47 K48 H111D42-F44 VanDerWaalsContact C-N 3.27Å; D42-F44 PolarHBondContact O-N 3.04Å; D42-F44 PolarHBondContact OD1-N 2.89Å; F44-S46 VanDerWaalsContact C-N 3.3Å; F44-S46 PolarHBondContact O-N 3.09Å; F44-W47 HydrophobicContact CD2-CE3 4.23Å; F44-W47 HydrophobicContact CE2-CE3 4.1Å; F44-W47 HydrophobicContact CE2-CZ3 4.06Å; F44-W47 PolarHBondContact O-N 2.86Å; F44-K48 HydrophobicContact CE1-CD 4.33Å; F44-K48 HydrophobicContact CZ-CD 4.38Å; F44-K48 VanDerWaalsContact O-CB 3.29Å; F44-K48 WeakPolarHBondContact O-CB 3.35Å; F44-K48 PolarHBondContact O-N 3.11Å; F44-H111 AromaticContact CD2-CD2 3.49Å; F44-H111 VanDerWaalsContact CD2-CD2 3.49Å; F44-H111 WeakPolarHBondContact CD2-CD2 3.47Å; F44-H111 AromaticContact CD2-NE2 3.56Å; F44-H111 AromaticContact CE2-CD2 3.56Å
45R83.4Confident84.3Confident67 Ų6754 Ų5425%0.25328%0.28SS..Hα-helixtrans-61.9-37.5174-74.1173.397.1-162.65.4112.3A38 V39 D42 K48 W49 L163A38-R45 PolarHBondContact O-NH1 3.21Å; V39-R45 HydrophobicContact CG1-CB 4.16Å; V39-R45 WeakPolarHBondContact CG1-O 3.46Å; D42-R45 HydrophobicContact CB-CB 4.09Å; D42-R45 HydrophobicContact CB-CG 4.17Å; D42-R45 PolarHBondContact O-N 3.45Å; D42-R45 VanDerWaalsContact OD2-CG 3.24Å; D42-R45 WeakPolarHBondContact OD2-CG 3.38Å; D42-R45 PolarHBondContact OD2-N 3.3Å; R45-K48 PolarHBondContact O-N 3.3Å; R45-W49 WeakPolarHBondContact O-CB 3.46Å; R45-W49 PolarHBondContact O-N 3.48Å; R45-L163 HydrophobicContact CG-CD2 4.16Å; R45-L163 PolarHBondContact NH2-O 3.15Å
46S85.8Confident84.8Confident18 Ų1854 Ų5413%0.12628%0.278CS..Hα-helixtrans-66.7-45.5177.3-640000112.2V39 A40 D42 D43 F44 W49 R50V39-S46 PolarHBondContact O-OG 3.39Å; A40-S46 WeakPolarHBondContact CA-OG 3.37Å; D42-S46 WeakPolarHBondContact O-CB 3.21Å; D42-S46 PolarHBondContact O-N 2.93Å; D42-S46 PolarHBondContact O-OG 3.08Å; D43-S46 PolarHBondContact O-N 3.32Å; F44-S46 VanDerWaalsContact C-N 3.3Å; F44-S46 PolarHBondContact O-N 3.09Å; S46-W49 PolarHBondContact O-N 3.28Å; S46-R50 WeakPolarHBondContact O-CG 3.43Å; S46-R50 PolarHBondContact O-N 3.49Å; S46-R50 VanDerWaalsContact O-N 3.14Å
47W85.5Confident85.3Confident36 Ų3655 Ų5514%0.13628%0.284CS..Hα-helixtrans-59.7-49.1171.9171.278.9000111D43 F44 W49 R50 N51 D105 I106 T109 H111D43-W47 WeakPolarHBondContact O-CB 3.44Å; D43-W47 PolarHBondContact O-N 2.85Å; F44-W47 HydrophobicContact CD2-CE3 4.23Å; F44-W47 HydrophobicContact CE2-CE3 4.1Å; F44-W47 HydrophobicContact CE2-CZ3 4.06Å; F44-W47 PolarHBondContact O-N 2.86Å; W47-W49 VanDerWaalsContact C-N 3.31Å; W47-W49 PolarHBondContact O-N 2.88Å; W47-R50 WeakPolarHBondContact O-CB 3.25Å; W47-R50 PolarHBondContact O-N 3.28Å; W47-R50 VanDerWaalsContact O-N 3.08Å; W47-N51 HydrophobicContact CZ2-CB 4.35Å; W47-N51 PolarHBondContact O-N 3.03Å; W47-D105 PolarHBondContact NE1-OD2 2.92Å; W47-I106 HydrophobicContact CH2-CG1 4.14Å; W47-I106 HydrophobicContact CZ2-CG1 4.08Å; W47-T109 PolarHBondContact NE1-OG1 3.46Å; W47-H111 AromaticContact CD2-CE1 3.71Å; W47-H111 AromaticContact CD2-ND1 3.57Å; W47-H111 AromaticContact CE2-ND1 3.58Å; W47-H111 AromaticContact CE3-CE1 3.96Å; W47-H111 AromaticContact CE3-CG 3.89Å; W47-H111 AromaticContact CE3-ND1 3.8Å; W47-H111 AromaticContact CG-CE1 3.9Å; W47-H111 HydrophobicContact CH2-CB 3.7Å; W47-H111 AromaticContact CH2-CG 3.91Å; W47-H111 HydrophobicContact CZ2-CB 4.13Å; W47-H111 AromaticContact CZ2-ND1 3.85Å; W47-H111 HydrophobicContact CZ3-CB 3.91Å; W47-H111 AromaticContact CZ3-CG 3.77Å
48K86Confident86Confident76 Ų7645.9 Ų45.933%0.3324%0.244SC..Hα-helixtrans-60.6-39.2-179.2-168.9170.1-176165.70112.4F44 R45 L52 L163F44-K48 HydrophobicContact CE1-CD 4.33Å; F44-K48 HydrophobicContact CZ-CD 4.38Å; F44-K48 VanDerWaalsContact O-CB 3.29Å; F44-K48 WeakPolarHBondContact O-CB 3.35Å; F44-K48 PolarHBondContact O-N 3.11Å; R45-K48 PolarHBondContact O-N 3.3Å; K48-L52 WeakPolarHBondContact O-CB 3.48Å; K48-L52 PolarHBondContact O-N 2.94Å; K48-L163 HydrophobicContact CB-CD1 4.38Å; K48-L163 HydrophobicContact CD-CD1 4.39Å; K48-L163 HydrophobicContact CD-CD2 4.39Å; K48-L163 HydrophobicContact CG-CD1 4.08Å
49W88.4Confident86.9Confident41 Ų4143.9 Ų43.916%0.15523%0.228CC..Hα-helixtrans-61-45.5174.1175.4-83.8000112.2P36 V39 R45 S46 W47 L52 S53 M160 L163 A164P36-W49 HydrophobicContact CG-CH2 3.58Å; P36-W49 HydrophobicContact CG-CZ2 3.62Å; P36-W49 HydrophobicContact CG-CZ3 4.05Å; V39-W49 HydrophobicContact CG1-CB 3.66Å; V39-W49 HydrophobicContact CG1-CD2 4.44Å; V39-W49 HydrophobicContact CG1-CG 4.11Å; V39-W49 HydrophobicContact CG2-CD2 4.42Å; V39-W49 HydrophobicContact CG2-CE3 3.87Å; V39-W49 HydrophobicContact CG2-CZ3 4.31Å; R45-W49 WeakPolarHBondContact O-CB 3.46Å; R45-W49 PolarHBondContact O-N 3.48Å; S46-W49 PolarHBondContact O-N 3.28Å; W47-W49 VanDerWaalsContact C-N 3.31Å; W47-W49 PolarHBondContact O-N 2.88Å; W49-L52 PolarHBondContact O-N 3.01Å; W49-S53 WeakPolarHBondContact O-CB 3.19Å; W49-S53 PolarHBondContact O-N 3.31Å; W49-S53 PolarHBondContact O-OG 3.49Å; W49-M160 HydrophobicContact CD2-CE 3.99Å; W49-M160 HydrophobicContact CE3-CB 4.29Å; W49-M160 HydrophobicContact CE3-CE 4.17Å; W49-M160 HydrophobicContact CE3-CG 4.44Å; W49-M160 HydrophobicContact CH2-CB 4.24Å; W49-M160 HydrophobicContact CH2-CE 3.65Å; W49-M160 HydrophobicContact CZ2-CE 3.42Å; W49-M160 VanDerWaalsContact CZ2-CE 3.42Å; W49-M160 HydrophobicContact CZ3-CB 3.78Å; W49-M160 HydrophobicContact CZ3-CE 4.02Å; W49-M160 HydrophobicContact CZ3-CG 4.32Å; W49-M160 WeakPolarHBondContact CZ3-O 3.2Å; W49-L163 HydrophobicContact CE3-CB 4.27Å; W49-A164 HydrophobicContact CZ3-CB 4.15Å
50R88.1Confident87.7Confident86 Ų8647.7 Ų47.733%0.32525%0.248SC..Hα-helixtrans-63.6-49.1178.3-70.6168.9175.2-148-1.6110.8S46 W47 L52 S53 V54S46-R50 WeakPolarHBondContact O-CG 3.43Å; S46-R50 PolarHBondContact O-N 3.49Å; S46-R50 VanDerWaalsContact O-N 3.14Å; W47-R50 WeakPolarHBondContact O-CB 3.25Å; W47-R50 PolarHBondContact O-N 3.28Å; W47-R50 VanDerWaalsContact O-N 3.08Å; R50-L52 VanDerWaalsContact C-N 3.33Å; R50-L52 PolarHBondContact O-N 3.47Å; R50-S53 WeakPolarHBondContact O-CB 3.48Å; R50-S53 PolarHBondContact O-N 3.36Å; R50-S53 VanDerWaalsContact O-N 3.1Å; R50-V54 WeakPolarHBondContact O-CG2 3.39Å; R50-V54 PolarHBondContact O-N 3Å
51N88Confident88.5Confident15 Ų1548.3 Ų48.38%0.0824%0.243CC..Hα-helixtrans-56.3-50.3177.7-160.384.8000110.9W47 S53 V54 S55 D102 D105W47-N51 HydrophobicContact CZ2-CB 4.35Å; W47-N51 PolarHBondContact O-N 3.03Å; N51-S53 PolarHBondContact O-N 2.95Å; N51-V54 PolarHBondContact O-N 3.12Å; N51-S55 PolarHBondContact O-N 3.34Å; N51-S55 PolarHBondContact O-OG 3.34Å; N51-S55 VanDerWaalsContact O-OG 3.05Å; N51-D102 PolarHBondContact ND2-OD1 3.33Å; N51-D102 PolarHBondContact OD1-OD1 2.9Å; N51-D102 VanDerWaalsContact OD1-OD1 3.09Å; N51-D105 PolarHBondContact OD1-OD2 3.22Å
52L88.3Confident89.4Confident11 Ų1142.4 Ų42.46%0.05821%0.207CC..Hα-helixtrans-62-29.6179.5-166.665.6000113.3K48 W49 R50 M56 H156 L159 M160 L163K48-L52 WeakPolarHBondContact O-CB 3.48Å; K48-L52 PolarHBondContact O-N 2.94Å; W49-L52 PolarHBondContact O-N 3.01Å; R50-L52 VanDerWaalsContact C-N 3.33Å; R50-L52 PolarHBondContact O-N 3.47Å; L52-M56 WeakPolarHBondContact O-CB 3.09Å; L52-M56 PolarHBondContact O-N 3.37Å; L52-H156 HydrophobicContact CD1-CB 3.93Å; L52-H156 WeakPolarHBondContact CD1-ND1 3.07Å; L52-H156 HydrophobicContact CG-CB 4.29Å; L52-L159 HydrophobicContact CD1-CB 4.37Å; L52-L159 HydrophobicContact CD1-CD2 4.34Å; L52-L159 HydrophobicContact CD2-CB 3.5Å; L52-M160 HydrophobicContact CB-CG 4.44Å; L52-M160 HydrophobicContact CD2-CB 4.23Å; L52-M160 HydrophobicContact CD2-CG 3.32Å; L52-M160 HydrophobicContact CG-CG 3.76Å; L52-L163 HydrophobicContact CD2-CD1 4.14Å
53S90.4Very high90.1Very high19 Ų1939.8 Ų39.813%0.13319%0.193CC..Hα-helixtrans-69.3-39.7174.7-57.30000111.5W49 R50 N51 M56 V57 M160W49-S53 WeakPolarHBondContact O-CB 3.19Å; W49-S53 PolarHBondContact O-N 3.31Å; W49-S53 PolarHBondContact O-OG 3.49Å; R50-S53 WeakPolarHBondContact O-CB 3.48Å; R50-S53 PolarHBondContact O-N 3.36Å; R50-S53 VanDerWaalsContact O-N 3.1Å; N51-S53 PolarHBondContact O-N 2.95Å; S53-M56 WeakPolarHBondContact O-CB 3.35Å; S53-M56 PolarHBondContact O-N 2.92Å; S53-V57 WeakPolarHBondContact O-CG2 3.48Å; S53-V57 PolarHBondContact O-N 3.34Å; S53-V57 VanDerWaalsContact O-N 3.11Å; S53-M160 WeakPolarHBondContact OG-CE 3.03Å
54V91.1Very high90.8Very high1 Ų136.9 Ų36.91%0.00618%0.18CC..Hα-helixtrans-65.8-44.3173.9-170.40000110.3F23 H27 L30 R50 N51 M56 V57 H58 Y98F23-V54 HydrophobicContact CD1-CG1 4.32Å; H27-V54 HydrophobicContact CB-CG2 3.94Å; H27-V54 WeakPolarHBondContact ND1-CG2 3.41Å; L30-V54 HydrophobicContact CD1-CB 4.29Å; L30-V54 HydrophobicContact CD1-CG2 3.8Å; R50-V54 WeakPolarHBondContact O-CG2 3.39Å; R50-V54 PolarHBondContact O-N 3Å; N51-V54 PolarHBondContact O-N 3.12Å; V54-M56 VanDerWaalsContact C-N 3.29Å; V54-M56 PolarHBondContact O-N 3.35Å; V54-V57 PolarHBondContact O-N 2.91Å; V54-H58 PolarHBondContact O-N 3.37Å; V54-Y98 HydrophobicContact CG1-CE2 4.19Å
55S92.4Very high91.6Very high5 Ų536.1 Ų36.14%0.03518%0.176CC..Hα-helixtrans-58.5-41.3174.7-45.10000111.9N51 V57 H58 S59 Y98 H156N51-S55 PolarHBondContact O-N 3.34Å; N51-S55 PolarHBondContact O-OG 3.34Å; N51-S55 VanDerWaalsContact O-OG 3.05Å; S55-V57 PolarHBondContact O-N 2.85Å; S55-H58 WeakPolarHBondContact O-CB 3.39Å; S55-H58 PolarHBondContact O-N 3.41Å; S55-S59 PolarHBondContact O-N 3.26Å; S55-S59 PolarHBondContact O-OG 3.49Å; S55-S59 VanDerWaalsContact O-OG 3.1Å; S55-Y98 WeakPolarHBondContact CA-OH 3.03Å; S55-Y98 WeakPolarHBondContact CB-OH 3.45Å; S55-Y98 PolarHBondContact OG-OH 3.47Å; S55-H156 WeakPolarHBondContact CB-NE2 3.47Å
56M93.1Very high92.3Very high32 Ų3233 Ų3316%0.15816%0.164CC..Hα-helixtrans-60.6-43.6176.2-175.267.4173.700112.3L52 S53 V54 H58 S59 L60 V153 H156 L157L52-M56 WeakPolarHBondContact O-CB 3.09Å; L52-M56 PolarHBondContact O-N 3.37Å; S53-M56 WeakPolarHBondContact O-CB 3.35Å; S53-M56 PolarHBondContact O-N 2.92Å; V54-M56 VanDerWaalsContact C-N 3.29Å; V54-M56 PolarHBondContact O-N 3.35Å; M56-H58 VanDerWaalsContact C-N 3.35Å; M56-S59 PolarHBondContact O-N 2.96Å; M56-L60 HydrophobicContact CE-CD1 4.17Å; M56-L60 HydrophobicContact CE-CG 4.38Å; M56-L60 HydrophobicContact CG-CD1 4.19Å; M56-L60 WeakPolarHBondContact O-CB 3.28Å; M56-L60 WeakPolarHBondContact O-CG 3.34Å; M56-L60 PolarHBondContact O-N 3.5Å; M56-V153 HydrophobicContact CE-CG1 3.56Å; M56-V153 HydrophobicContact SD-CG1 4.08Å; M56-V153 VanDerWaalsContact SD-O 3.38Å; M56-H156 HydrophobicContact CB-CB 4.34Å; M56-H156 HydrophobicContact SD-CB 3.82Å; M56-L157 HydrophobicContact CE-CB 4.25Å
57V93.1Very high92.8Very high64 Ų6435.2 Ų35.239%0.38817%0.173SC..Hα-helixtrans-63.8-42.8176.2171.50000110.8L30 S53 V54 S55 L61L30-V57 HydrophobicContact CD1-CG2 4.08Å; L30-V57 HydrophobicContact CD2-CG2 4.44Å; S53-V57 WeakPolarHBondContact O-CG2 3.48Å; S53-V57 PolarHBondContact O-N 3.34Å; S53-V57 VanDerWaalsContact O-N 3.11Å; V54-V57 PolarHBondContact O-N 2.91Å; S55-V57 PolarHBondContact O-N 2.85Å; V57-L61 WeakPolarHBondContact O-CB 3.35Å; V57-L61 PolarHBondContact O-N 2.94Å
58H94.9Very high93.3Very high0 Ų036.8 Ų36.80%019%0.187CC..Hα-helixtrans-58.6-56.3174.5170.874.9000111.3F23 V54 S55 M56 L60 L61 T62 Y98 E149F23-H58 HydrophobicContact CE1-CB 4.08Å; F23-H58 HydrophobicContact CZ-CB 4.44Å; F23-H58 AromaticContact CZ-ND1 3.89Å; V54-H58 PolarHBondContact O-N 3.37Å; S55-H58 WeakPolarHBondContact O-CB 3.39Å; S55-H58 PolarHBondContact O-N 3.41Å; M56-H58 VanDerWaalsContact C-N 3.35Å; H58-L60 VanDerWaalsContact C-N 3.29Å; H58-L60 PolarHBondContact O-N 3.21Å; H58-L61 WeakPolarHBondContact O-CB 3.22Å; H58-L61 PolarHBondContact O-N 2.96Å; H58-T62 WeakPolarHBondContact CE1-CG2 3.33Å; H58-T62 PolarHBondContact CE1-OG1 3.29Å; H58-T62 PolarHBondContact NE2-OG1 2.71Å; H58-T62 PolarHBondContact O-N 3.39Å; H58-T62 PolarHBondContact O-OG1 2.67Å; H58-Y98 HydrophobicContact CB-CD1 4.06Å; H58-Y98 HydrophobicContact CB-CD2 3.54Å; H58-Y98 HydrophobicContact CB-CE1 4.13Å; H58-Y98 HydrophobicContact CB-CE2 3.6Å; H58-Y98 HydrophobicContact CB-CG 3.78Å; H58-Y98 AromaticContact CD2-CD1 3.36Å; H58-Y98 WeakPolarHBondContact CD2-CD1 3.47Å; H58-Y98 AromaticContact CD2-CE1 3.46Å; H58-Y98 VanDerWaalsContact CD2-CE1 3.46Å; H58-Y98 WeakPolarHBondContact CD2-CE1 3.25Å; H58-Y98 AromaticContact CD2-CG 3.92Å; H58-Y98 AromaticContact CE1-CD1 3.55Å; H58-Y98 AromaticContact CE1-CG 3.79Å; H58-Y98 AromaticContact CG-CD1 3.32Å; H58-Y98 AromaticContact CG-CD2 3.69Å; H58-Y98 AromaticContact CG-CE1 3.66Å; H58-Y98 AromaticContact CG-CE2 3.98Å; H58-Y98 AromaticContact CG-CG 3.35Å; H58-Y98 AromaticContact CG-CZ 3.98Å; H58-Y98 WeakPolarHBondContact ND1-CB 3.38Å; H58-Y98 AromaticContact ND1-CD1 3.45Å; H58-Y98 WeakPolarHBondContact ND1-CD1 3.4Å; H58-Y98 AromaticContact ND1-CD2 3.94Å; H58-Y98 AromaticContact ND1-CG 3.27Å; H58-Y98 VanDerWaalsContact ND1-CG 3.27Å; H58-Y98 AromaticContact NE2-CD1 3.54Å; H58-Y98 AromaticContact NE2-CE1 3.99Å; H58-E149 IonicContact CD2-OE2 3.85Å
59S95.7Very high93.8Very high0 Ų033.5 Ų33.50%017%0.173CC..Hα-helixtrans-60.5-37.3-177.2-58.30000112.9S55 M56 G63 E149 S152 H156S55-S59 PolarHBondContact O-N 3.26Å; S55-S59 PolarHBondContact O-OG 3.49Å; S55-S59 VanDerWaalsContact O-OG 3.1Å; M56-S59 PolarHBondContact O-N 2.96Å; S59-G63 WeakPolarHBondContact O-CA 3.37Å; S59-G63 PolarHBondContact O-N 3.22Å; S59-E149 WeakPolarHBondContact CA-OE2 3.3Å; S59-E149 VanDerWaalsContact CB-OE2 3.25Å; S59-E149 WeakPolarHBondContact CB-OE2 3.5Å; S59-E149 PolarHBondContact OG-OE2 3.18Å; S59-S152 VanDerWaalsContact OG-CB 3.24Å; S59-S152 WeakPolarHBondContact OG-CB 3.4Å; S59-H156 PolarHBondContact OG-CD2 2.9Å; S59-H156 PolarHBondContact OG-NE2 3.43Å
60L95.8Very high94.2Very high80 Ų8032.6 Ų32.642%0.41917%0.172SC..Hα-helixtrans-62.6-47.2173.9-79.8169.6000111.2M56 H58 T64 V153M56-L60 HydrophobicContact CE-CD1 4.17Å; M56-L60 HydrophobicContact CE-CG 4.38Å; M56-L60 HydrophobicContact CG-CD1 4.19Å; M56-L60 WeakPolarHBondContact O-CB 3.28Å; M56-L60 WeakPolarHBondContact O-CG 3.34Å; M56-L60 PolarHBondContact O-N 3.5Å; H58-L60 VanDerWaalsContact C-N 3.29Å; H58-L60 PolarHBondContact O-N 3.21Å; L60-T64 WeakPolarHBondContact O-CB 3.28Å; L60-T64 WeakPolarHBondContact O-CG2 3.35Å; L60-T64 PolarHBondContact O-N 3.49Å; L60-T64 PolarHBondContact O-OG1 3.39Å; L60-V153 HydrophobicContact CD2-CB 4.5Å; L60-V153 HydrophobicContact CD2-CG1 3.68Å; L60-V153 HydrophobicContact CD2-CG2 3.9Å; L60-V153 HydrophobicContact CG-CG1 4.22Å; L60-V153 HydrophobicContact CG-CG2 4.02Å
61L96.1Very high94.5Very high70 Ų7034.6 Ų34.637%0.36619%0.188SC..Hα-helixtrans-65.2-51.2179.517764.6000111.4V57 H58 T64 W65 I94V57-L61 WeakPolarHBondContact O-CB 3.35Å; V57-L61 PolarHBondContact O-N 2.94Å; H58-L61 WeakPolarHBondContact O-CB 3.22Å; H58-L61 PolarHBondContact O-N 2.96Å; L61-T64 PolarHBondContact O-OG1 3.29Å; L61-T64 VanDerWaalsContact O-OG1 3.11Å; L61-W65 HydrophobicContact CD1-CE3 4.03Å; L61-W65 HydrophobicContact CD1-CZ3 4.42Å; L61-W65 HydrophobicContact CG-CE3 4.33Å; L61-W65 WeakPolarHBondContact O-CB 3.25Å; L61-W65 PolarHBondContact O-N 2.84Å; L61-I94 HydrophobicContact CD2-CG2 4.18Å
62T97Very high94.9Very high0 Ų039.8 Ų39.80%021%0.214CC..Hα-helixtrans-82.8-33.5-169.258.30000112.7H58 A66 L91 I94 S95H58-T62 WeakPolarHBondContact CE1-CG2 3.33Å; H58-T62 PolarHBondContact CE1-OG1 3.29Å; H58-T62 PolarHBondContact NE2-OG1 2.71Å; H58-T62 PolarHBondContact O-N 3.39Å; H58-T62 PolarHBondContact O-OG1 2.67Å; T62-A66 WeakPolarHBondContact O-CB 3.45Å; T62-A66 PolarHBondContact O-N 2.94Å; T62-L91 HydrophobicContact CG2-CD1 3.77Å; T62-I94 HydrophobicContact CG2-CG2 4.47Å; T62-S95 WeakPolarHBondContact CG2-OG 3.37Å
63G96.2Very high95.2Very high1 Ų140.4 Ų40.41%0.0122%0.22CC..Hα-helixtrans-64.6-46172.700000112.3S59 M67S59-G63 WeakPolarHBondContact O-CA 3.37Å; S59-G63 PolarHBondContact O-N 3.22Å; G63-M67 PolarHBondContact O-N 2.98Å
64T96.9Very high95.4Very high82 Ų8243.3 Ų43.350%0.50324%0.238SC..Hα-helixtrans-66.1-45176.856.40000111.5L60 L61 A66 M67 T68L60-T64 WeakPolarHBondContact O-CB 3.28Å; L60-T64 WeakPolarHBondContact O-CG2 3.35Å; L60-T64 PolarHBondContact O-N 3.49Å; L60-T64 PolarHBondContact O-OG1 3.39Å; L61-T64 PolarHBondContact O-OG1 3.29Å; L61-T64 VanDerWaalsContact O-OG1 3.11Å; T64-A66 PolarHBondContact O-N 3.18Å; T64-M67 PolarHBondContact O-N 3.32Å; T64-T68 PolarHBondContact O-N 2.84Å; T64-T68 PolarHBondContact O-OG1 3.41Å; T64-T68 VanDerWaalsContact O-OG1 3.07Å
65W97.9Very high95.6Very high55 Ų5548.3 Ų48.321%0.20826%0.262CS..Hα-helixtrans-62.9-43.8178.7-164-21.7000111.8M1 L61 M67 T68 C69 M90 L91 I94M1-W65 HydrophobicContact SD-CZ2 3.94Å; L61-W65 HydrophobicContact CD1-CE3 4.03Å; L61-W65 HydrophobicContact CD1-CZ3 4.42Å; L61-W65 HydrophobicContact CG-CE3 4.33Å; L61-W65 WeakPolarHBondContact O-CB 3.25Å; L61-W65 PolarHBondContact O-N 2.84Å; W65-M67 VanDerWaalsContact C-N 3.33Å; W65-M67 PolarHBondContact O-N 3.03Å; W65-T68 PolarHBondContact O-N 3.02Å; W65-C69 WeakPolarHBondContact O-CB 3.47Å; W65-C69 PolarHBondContact O-N 3.04Å; W65-M90 HydrophobicContact CZ2-CB 4.38Å; W65-L91 HydrophobicContact CB-CD1 4Å; W65-L91 HydrophobicContact CB-CD2 4.38Å; W65-L91 HydrophobicContact CD2-CB 4.44Å; W65-L91 HydrophobicContact CD2-CD1 4.25Å; W65-L91 HydrophobicContact CE3-CD1 4.44Å; W65-L91 HydrophobicContact CG-CB 4.49Å; W65-L91 HydrophobicContact CG-CD1 4.07Å; W65-L91 HydrophobicContact CG-CD2 4.32Å; W65-I94 HydrophobicContact CE3-CD1 4.43Å; W65-I94 HydrophobicContact CH2-CD1 3.65Å; W65-I94 HydrophobicContact CZ3-CD1 3.44Å; W65-I94 VanDerWaalsContact CZ3-CD1 3.44Å
66A97.1Very high95.7Very high0 Ų048.1 Ų48.10%026%0.26CS..Hα-helixtrans-57.6-46.1177.200000111.8T62 T64 C69 V70 L91 V143 L146 F147T62-A66 WeakPolarHBondContact O-CB 3.45Å; T62-A66 PolarHBondContact O-N 2.94Å; T64-A66 PolarHBondContact O-N 3.18Å; A66-C69 PolarHBondContact O-N 2.98Å; A66-V70 PolarHBondContact O-N 3.09Å; A66-L91 HydrophobicContact CB-CD2 3.87Å; A66-V143 HydrophobicContact CB-CG1 4.22Å; A66-L146 HydrophobicContact CB-CB 4.04Å; A66-F147 HydrophobicContact CB-CD1 3.92Å; A66-F147 HydrophobicContact CB-CE1 4.04Å
67M96.8Very high95.6Very high65 Ų6548.1 Ų48.132%0.3227%0.265SS..Hα-helixtrans-60.8-47.6175.2-74.8-175.952.600111.8G63 T64 W65 C69 V70 I71 V150 F186G63-M67 PolarHBondContact O-N 2.98Å; T64-M67 PolarHBondContact O-N 3.32Å; W65-M67 VanDerWaalsContact C-N 3.33Å; W65-M67 PolarHBondContact O-N 3.03Å; M67-C69 VanDerWaalsContact C-N 3.31Å; M67-C69 PolarHBondContact O-N 3.47Å; M67-V70 PolarHBondContact O-N 2.98Å; M67-I71 WeakPolarHBondContact O-CB 3.43Å; M67-I71 WeakPolarHBondContact O-CD1 3.34Å; M67-I71 VanDerWaalsContact O-CG1 3.24Å; M67-I71 WeakPolarHBondContact O-CG1 3.33Å; M67-I71 PolarHBondContact O-N 3.49Å; M67-V150 HydrophobicContact CG-CG2 4.1Å; M67-V150 HydrophobicContact SD-CG1 4.47Å; M67-V150 HydrophobicContact SD-CG2 3.77Å; M67-F186 HydrophobicContact CG-CE1 4.39Å; M67-F186 HydrophobicContact SD-CE1 3.82Å; M67-F186 HydrophobicContact SD-CZ 4.09Å
68T96.6Very high95.6Very high70 Ų7050.2 Ų50.243%0.42928%0.278SS..Hα-helixtrans-59.4-41.6178.3-60.50000111.8T64 W65 V70 I71 I72T64-T68 PolarHBondContact O-N 2.84Å; T64-T68 PolarHBondContact O-OG1 3.41Å; T64-T68 VanDerWaalsContact O-OG1 3.07Å; W65-T68 PolarHBondContact O-N 3.02Å; T68-V70 PolarHBondContact O-N 3.05Å; T68-I71 PolarHBondContact O-N 3.23Å; T68-I72 HydrophobicContact CG2-CD1 3.56Å; T68-I72 HydrophobicContact CG2-CG1 4.29Å; T68-I72 WeakPolarHBondContact O-CB 3.33Å; T68-I72 VanDerWaalsContact O-CG1 3.29Å; T68-I72 WeakPolarHBondContact O-CG1 3.3Å; T68-I72 PolarHBondContact O-N 3.05Å
69C96.2Very high95.5Very high7 Ų753.3 Ų53.35%0.04730%0.295CS..Hα-helixtrans-57.8-48.7176.4-83.80000111.8W65 A66 M67 I72 S73 L76 V143W65-C69 WeakPolarHBondContact O-CB 3.47Å; W65-C69 PolarHBondContact O-N 3.04Å; A66-C69 PolarHBondContact O-N 2.98Å; M67-C69 VanDerWaalsContact C-N 3.31Å; M67-C69 PolarHBondContact O-N 3.47Å; C69-I72 PolarHBondContact O-N 2.87Å; C69-S73 PolarHBondContact O-N 3.19Å; C69-L76 HydrophobicContact CB-CD1 3.68Å; C69-L76 WeakPolarHBondContact O-CD1 3.27Å; C69-V143 HydrophobicContact CB-CG1 4.28Å
70V95.8Very high95.4Very high22 Ų2253.5 Ų53.513%0.13330%0.296CS..Hα-helixtrans-71.9-33.9-178.8176.30000112.2A66 M67 T68 S73 P74 L76 A77 V143 F147A66-V70 PolarHBondContact O-N 3.09Å; M67-V70 PolarHBondContact O-N 2.98Å; T68-V70 PolarHBondContact O-N 3.05Å; V70-S73 CarbonylContact O-C 3.3Å; V70-S73 VanDerWaalsContact O-C 3.3Å; V70-P74 VanDerWaalsContact O-CA 3.29Å; V70-P74 WeakPolarHBondContact O-CA 3.49Å; V70-P74 VanDerWaalsContact O-N 3.16Å; V70-L76 HydrophobicContact CG2-CB 4.06Å; V70-A77 HydrophobicContact CG1-CB 3.91Å; V70-V143 HydrophobicContact CG2-CG1 4.09Å; V70-F147 HydrophobicContact CB-CE1 4.38Å; V70-F147 HydrophobicContact CB-CZ 3.88Å; V70-F147 HydrophobicContact CG1-CZ 4.19Å; V70-F147 HydrophobicContact CG2-CE1 3.76Å; V70-F147 HydrophobicContact CG2-CZ 3.61Å
71I95.9Very high95.2Very high127 Ų12751 Ų5165%0.65128%0.282SS*.Hα-helixtrans-65.2-42175.5-70.1165.5000111M67 T68M67-I71 WeakPolarHBondContact O-CB 3.43Å; M67-I71 WeakPolarHBondContact O-CD1 3.34Å; M67-I71 VanDerWaalsContact O-CG1 3.24Å; M67-I71 WeakPolarHBondContact O-CG1 3.33Å; M67-I71 PolarHBondContact O-N 3.49Å; T68-I71 PolarHBondContact O-N 3.23Å
72I95.8Very high95.1Very high124 Ų12450.6 Ų50.664%0.63629%0.285SS*.Hα-helixtrans-76.7-38.1-180-66.4173.6000111.3T68 C69T68-I72 HydrophobicContact CG2-CD1 3.56Å; T68-I72 HydrophobicContact CG2-CG1 4.29Å; T68-I72 WeakPolarHBondContact O-CB 3.33Å; T68-I72 VanDerWaalsContact O-CG1 3.29Å; T68-I72 WeakPolarHBondContact O-CG1 3.3Å; T68-I72 PolarHBondContact O-N 3.05Å; C69-I72 PolarHBondContact O-N 2.87Å
73S95.4Very high94.9Very high24 Ų2452.7 Ų52.717%0.16829%0.294CS..  trans-128.681.9-178.3-560000110.2C69 V70 E75 L76C69-S73 PolarHBondContact O-N 3.19Å; V70-S73 CarbonylContact O-C 3.3Å; V70-S73 VanDerWaalsContact O-C 3.3Å; S73-E75 PolarHBondContact O-N 3.1Å; S73-L76 WeakPolarHBondContact O-CB 3.49Å; S73-L76 PolarHBondContact O-N 2.74Å
74P94.6Very high94.8Very high80 Ų8055.8 Ų55.852%0.51931%0.306SS..G310 helixtrans-58.3-21.2-178.8-26.235.6000114.1V70 L76 A77V70-P74 VanDerWaalsContact O-CA 3.29Å; V70-P74 WeakPolarHBondContact O-CA 3.49Å; V70-P74 VanDerWaalsContact O-N 3.16Å; P74-L76 PolarHBondContact O-N 2.95Å; P74-L76 VanDerWaalsContact O-N 3.16Å; P74-A77 PolarHBondContact O-N 3.49Å
75E94.4Very high94.7Very high107 Ų10753.2 Ų53.250%0.529%0.29SS..G310 helixtrans-56.3-25.2173.1-69168.3169.600112.9S73 A77 T78 N79 F83S73-E75 PolarHBondContact O-N 3.1Å; E75-A77 PolarHBondContact O-N 3.47Å; E75-T78 WeakPolarHBondContact CA-OG1 3.47Å; E75-T78 PolarHBondContact O-N 3.4Å; E75-N79 PolarHBondContact O-N 3.37Å; E75-F83 HydrophobicContact CB-CD1 3.55Å; E75-F83 HydrophobicContact CB-CD2 4.13Å; E75-F83 HydrophobicContact CB-CE1 3.47Å; E75-F83 VanDerWaalsContact CB-CE1 3.47Å; E75-F83 HydrophobicContact CB-CE2 4.06Å; E75-F83 HydrophobicContact CB-CG 3.88Å; E75-F83 HydrophobicContact CB-CZ 3.73Å; E75-F83 WeakPolarHBondContact OE2-CE2 3.36Å; E75-F83 WeakPolarHBondContact OE2-CZ 3.48Å
76L93.5Very high94.5Very high0 Ų050.7 Ų50.70%028%0.281CS..G310 helixtrans-63.3-19171.4-72.8168.3000113.4C69 V70 S73 P74 I80 F83 A88 A140C69-L76 HydrophobicContact CB-CD1 3.68Å; C69-L76 WeakPolarHBondContact O-CD1 3.27Å; V70-L76 HydrophobicContact CG2-CB 4.06Å; S73-L76 WeakPolarHBondContact O-CB 3.49Å; S73-L76 PolarHBondContact O-N 2.74Å; P74-L76 PolarHBondContact O-N 2.95Å; P74-L76 VanDerWaalsContact O-N 3.16Å; L76-I80 WeakPolarHBondContact O-CD1 3.42Å; L76-F83 HydrophobicContact CD2-CD1 3.86Å; L76-F83 HydrophobicContact CD2-CE1 4.12Å; L76-F83 HydrophobicContact CG-CD1 3.92Å; L76-F83 HydrophobicContact CG-CE1 3.86Å; L76-A88 HydrophobicContact CD1-CB 4.22Å; L76-A88 HydrophobicContact CD2-CB 3.91Å; L76-A140 HydrophobicContact CB-CB 4.47Å; L76-A140 HydrophobicContact CD2-CB 3.91Å; L76-A140 WeakPolarHBondContact O-CB 3.35Å
77A92.6Very high94.4Very high33 Ų3351.9 Ų51.927%0.27329%0.289SS..G310 helixtrans-105.9-2.6177.800000113.2V70 P74 E75 Y193V70-A77 HydrophobicContact CG1-CB 3.91Å; P74-A77 PolarHBondContact O-N 3.49Å; E75-A77 PolarHBondContact O-N 3.47Å; A77-Y193 PolarHBondContact O-OH 2.88Å
78T92.3Very high94.3Very high107 Ų10748.8 Ų48.866%0.65627%0.274SS*.THydrogen-bonded Turntrans-119.8-39.2-179.259.40000112.3E75E75-T78 WeakPolarHBondContact CA-OG1 3.47Å; E75-T78 PolarHBondContact O-N 3.4Å
79N93.2Very high94.3Very high65 Ų6545.5 Ų45.535%0.34825%0.253SS..  trans-104.871.9176.5-175-2.9000110.8E75 H81 S82 F83E75-N79 PolarHBondContact O-N 3.37Å; N79-H81 VanDerWaalsContact C-N 3.31Å; N79-H81 PolarHBondContact O-N 3.27Å; N79-S82 PolarHBondContact ND2-OG 3.42Å; N79-S82 PolarHBondContact OD1-N 2.95Å; N79-S82 PolarHBondContact OD1-OG 2.93Å; N79-S82 VanDerWaalsContact OD1-OG 3.06Å; N79-F83 HydrophobicContact CB-CB 3.76Å; N79-F83 VanDerWaalsContact O-CB 3.28Å; N79-F83 WeakPolarHBondContact O-CB 3.45Å; N79-F83 PolarHBondContact O-N 3.48Å
80I93.5Very high94.2Very high4 Ų445.8 Ų45.82%0.02125%0.254CS..THydrogen-bonded Turntrans-65-32.1-176.5-61.6-65.7000112.8L76 Y138 A140 V144 Y193 Y197L76-I80 WeakPolarHBondContact O-CD1 3.42Å; I80-Y138 HydrophobicContact CG2-CD1 4.48Å; I80-Y138 VanDerWaalsContact O-CA 3.32Å; I80-Y138 WeakPolarHBondContact O-CA 3.45Å; I80-A140 HydrophobicContact CD1-CB 4.25Å; I80-V144 HydrophobicContact CD1-CG2 4.02Å; I80-Y193 HydrophobicContact CD1-CE1 3.91Å; I80-Y193 HydrophobicContact CG1-CE1 4.13Å; I80-Y193 WeakPolarHBondContact CG1-OH 3.47Å; I80-Y197 HydrophobicContact CB-CD1 4.25Å; I80-Y197 HydrophobicContact CB-CD2 4.22Å; I80-Y197 HydrophobicContact CB-CE1 3.82Å; I80-Y197 HydrophobicContact CB-CE2 3.8Å; I80-Y197 HydrophobicContact CB-CG 4.44Å; I80-Y197 HydrophobicContact CG1-CD2 4.09Å; I80-Y197 HydrophobicContact CG1-CE2 4.07Å; I80-Y197 HydrophobicContact CG1-CG 4.4Å; I80-Y197 HydrophobicContact CG2-CD1 3.93Å; I80-Y197 HydrophobicContact CG2-CE1 3.64Å; I80-Y197 HydrophobicContact CG2-CE2 4.5Å; I80-Y197 HydrophobicContact CG2-CG 4.47Å
81H92.6Very high94.3Very high27 Ų2744.8 Ų44.813%0.12525%0.248CC..THydrogen-bonded Turntrans-68.2-50-172.5-179-89.2000113N79 Y138 Y197 W204 D206N79-H81 VanDerWaalsContact C-N 3.31Å; N79-H81 PolarHBondContact O-N 3.27Å; H81-Y138 HydrophobicContact CB-CE1 4.24Å; H81-Y138 AromaticContact CD2-CE1 3.46Å; H81-Y138 VanDerWaalsContact CD2-CE1 3.46Å; H81-Y138 WeakPolarHBondContact CD2-CE1 3.19Å; H81-Y138 AromaticContact CD2-CZ 3.58Å; H81-Y138 PolarHBondContact CD2-OH 3.13Å; H81-Y138 VanDerWaalsContact CD2-OH 3.25Å; H81-Y138 PolarHBondContact NE2-OH 3.41Å; H81-Y138 PolarHBondContact O-N 2.89Å; H81-Y197 PolarHBondContact N-OH 3.38Å; H81-W204 HydrophobicContact CB-CH2 4.23Å; H81-W204 HydrophobicContact CB-CZ3 4.02Å; H81-W204 AromaticContact CD2-CH2 3.55Å; H81-W204 AromaticContact CD2-CZ3 3.36Å; H81-W204 WeakPolarHBondContact CD2-CZ3 3.32Å; H81-W204 AromaticContact CE1-CH2 3.76Å; H81-W204 AromaticContact CG-CH2 3.58Å; H81-W204 AromaticContact CG-CZ3 3.62Å; H81-W204 AromaticContact ND1-CH2 3.7Å; H81-W204 AromaticContact NE2-CH2 3.7Å; H81-W204 AromaticContact NE2-CZ3 3.9Å; H81-D206 IonicContact CD2-OD2 4Å; H81-D206 IonicContact CE1-OD2 3.83Å; H81-D206 IonicContact NE2-OD2 2.96Å; H81-D206 PolarHBondContact NE2-OD2 3.42Å
82S92.3Very high94.4Very high62 Ų6238.7 Ų38.743%0.43422%0.217SC..THydrogen-bonded Turntrans-123.8-19.8-164.459.30000114.8N79N79-S82 PolarHBondContact ND2-OG 3.42Å; N79-S82 PolarHBondContact OD1-N 2.95Å; N79-S82 PolarHBondContact OD1-OG 2.93Å; N79-S82 VanDerWaalsContact OD1-OG 3.06Å
83F94.1Very high94.4Very high44 Ų4432.9 Ų32.919%0.19319%0.187CC..  trans-81.4135.8-173.6-173-101.6000112.1E75 L76 N79 T85 A140E75-F83 HydrophobicContact CB-CD1 3.55Å; E75-F83 HydrophobicContact CB-CD2 4.13Å; E75-F83 HydrophobicContact CB-CE1 3.47Å; E75-F83 VanDerWaalsContact CB-CE1 3.47Å; E75-F83 HydrophobicContact CB-CE2 4.06Å; E75-F83 HydrophobicContact CB-CG 3.88Å; E75-F83 HydrophobicContact CB-CZ 3.73Å; E75-F83 WeakPolarHBondContact OE2-CE2 3.36Å; E75-F83 WeakPolarHBondContact OE2-CZ 3.48Å; L76-F83 HydrophobicContact CD2-CD1 3.86Å; L76-F83 HydrophobicContact CD2-CE1 4.12Å; L76-F83 HydrophobicContact CG-CD1 3.92Å; L76-F83 HydrophobicContact CG-CE1 3.86Å; N79-F83 HydrophobicContact CB-CB 3.76Å; N79-F83 VanDerWaalsContact O-CB 3.28Å; N79-F83 WeakPolarHBondContact O-CB 3.45Å; N79-F83 PolarHBondContact O-N 3.48Å; F83-T85 HydrophobicContact CE1-CG2 3.97Å; F83-T85 HydrophobicContact CZ-CG2 3.84Å; F83-A140 VanDerWaalsContact O-CB 3.23Å; F83-A140 WeakPolarHBondContact O-CB 3.1Å
84Y93.8Very high94.4Very high66 Ų6633.4 Ų33.426%0.25919%0.188SC..  trans-160.9160.5165.361.6-88.1000111.3Q9 Y89 H136 V139Q9-Y84 PolarHBondContact NE2-OH 3.45Å; Q9-Y84 VanDerWaalsContact NE2-OH 3.11Å; Y84-Y89 HydrophobicContact CD2-CD2 4.5Å; Y84-Y89 HydrophobicContact CE2-CD2 4.5Å; Y84-H136 HydrophobicContact CE1-CB 4.16Å; Y84-H136 VanDerWaalsContact CE1-O 3.28Å; Y84-H136 WeakPolarHBondContact CE1-O 3.11Å; Y84-V139 HydrophobicContact CD1-CB 4.3Å; Y84-V139 HydrophobicContact CD1-CG2 4.24Å; Y84-V139 HydrophobicContact CG-CB 4.1Å; Y84-V139 HydrophobicContact CG-CG1 4.21Å; Y84-V139 HydrophobicContact CG-CG2 4.27Å
85T93.9Very high94.5Very high29 Ų2929.6 Ų29.618%0.17816%0.163CC..  trans-116162.217460.10000109.9F83 P87 A88 Y89F83-T85 HydrophobicContact CE1-CG2 3.97Å; F83-T85 HydrophobicContact CZ-CG2 3.84Å; T85-P87 VanDerWaalsContact C-CD 3.45Å; T85-P87 VanDerWaalsContact C-N 3.32Å; T85-A88 WeakPolarHBondContact O-CB 3.48Å; T85-A88 PolarHBondContact O-N 3.02Å; T85-A88 VanDerWaalsContact O-N 3.09Å; T85-Y89 PolarHBondContact O-N 2.89Å
86A93.9Very high94.7Very high2 Ų224.5 Ų24.52%0.01714%0.139CC..Hα-helixtrans-54.6-42.2176.500000113.4M1 E2 L5 A88 Y89 M90M1-A86 HydrophobicContact CB-CB 4.35Å; E2-A86 VanDerWaalsContact OE1-CB 3.26Å; E2-A86 WeakPolarHBondContact OE1-CB 3.46Å; L5-A86 HydrophobicContact CB-CB 3.98Å; L5-A86 HydrophobicContact CD1-CB 4.32Å; L5-A86 HydrophobicContact CD2-CB 3.86Å; L5-A86 HydrophobicContact CG-CB 4.27Å; A86-A88 PolarHBondContact O-N 3.22Å; A86-Y89 PolarHBondContact O-N 3.45Å; A86-M90 WeakPolarHBondContact O-CG 3.28Å; A86-M90 PolarHBondContact O-N 3.06Å
87P94.6Very high94.8Very high25 Ų2524.5 Ų24.516%0.16214%0.139CC..Hα-helixtrans-62.4-38.4175.2-21.633.3000113.3M1 T85 M90 L91M1-P87 HydrophobicContact CE-CB 4.06Å; M1-P87 HydrophobicContact CE-CG 3.69Å; M1-P87 HydrophobicContact SD-CB 3.79Å; M1-P87 HydrophobicContact SD-CG 3.79Å; T85-P87 VanDerWaalsContact C-CD 3.45Å; T85-P87 VanDerWaalsContact C-N 3.32Å; P87-M90 PolarHBondContact O-N 3.34Å; P87-L91 WeakPolarHBondContact O-CB 3.49Å; P87-L91 PolarHBondContact O-N 3.43Å
88A95.8Very high95Very high0 Ų023.3 Ų23.30%013%0.128CC..Hα-helixtrans-64.1-46.6176.900000111.4L76 T85 A86 M90 L91 I92 V139 V143L76-A88 HydrophobicContact CD1-CB 4.22Å; L76-A88 HydrophobicContact CD2-CB 3.91Å; T85-A88 WeakPolarHBondContact O-CB 3.48Å; T85-A88 PolarHBondContact O-N 3.02Å; T85-A88 VanDerWaalsContact O-N 3.09Å; A86-A88 PolarHBondContact O-N 3.22Å; A88-M90 PolarHBondContact O-N 3.39Å; A88-L91 WeakPolarHBondContact O-CB 3.26Å; A88-L91 PolarHBondContact O-N 2.83Å; A88-I92 WeakPolarHBondContact O-CG1 3.46Å; A88-I92 PolarHBondContact O-N 2.97Å; A88-I92 VanDerWaalsContact O-N 3.16Å; A88-V139 HydrophobicContact CB-CG1 4.3Å; A88-V143 HydrophobicContact CB-CG2 3.76Å
89Y95.9Very high95.1Very high0 Ų018.5 Ų18.50%010%0.098CC..Hα-helixtrans-62.8-42.6177.8-168.1-88.9000111.9L5 L8 Q9 Y84 T85 A86 L91 I92 C93 L133 H136 V139L5-Y89 HydrophobicContact CD1-CD1 3.75Å; L5-Y89 HydrophobicContact CD1-CG 3.83Å; L8-Y89 HydrophobicContact CB-CD1 4.29Å; L8-Y89 HydrophobicContact CB-CE1 3.95Å; Q9-Y89 HydrophobicContact CG-CE1 4.07Å; Q9-Y89 HydrophobicContact CG-CE2 4.38Å; Y84-Y89 HydrophobicContact CD2-CD2 4.5Å; Y84-Y89 HydrophobicContact CE2-CD2 4.5Å; T85-Y89 PolarHBondContact O-N 2.89Å; A86-Y89 PolarHBondContact O-N 3.45Å; Y89-L91 VanDerWaalsContact C-N 3.35Å; Y89-L91 PolarHBondContact O-N 3.25Å; Y89-I92 PolarHBondContact O-N 3.43Å; Y89-C93 PolarHBondContact O-N 2.98Å; Y89-L133 HydrophobicContact CD1-CD2 4.26Å; Y89-L133 HydrophobicContact CD2-CD2 4.07Å; Y89-L133 HydrophobicContact CE1-CD2 3.85Å; Y89-L133 HydrophobicContact CE2-CD2 3.63Å; Y89-L133 HydrophobicContact CG-CD2 4.37Å; Y89-L133 PolarHBondContact OH-O 3Å; Y89-H136 AromaticContact CE2-ND1 3.57Å; Y89-H136 AromaticContact CZ-ND1 3.98Å; Y89-V139 HydrophobicContact CD2-CG1 4.5Å; Y89-V139 HydrophobicContact CD2-CG2 4.05Å
90M95.2Very high95.3Very high14 Ų1418.4 Ų18.47%0.06910%0.1CC..Hα-helixtrans-60.9-42.2174.5-76.1-173.9-154.900112.9M1 L4 L8 W65 A86 P87 A88 I92 C93 I94M1-M90 HydrophobicContact CB-CE 3.59Å; M1-M90 HydrophobicContact CB-SD 4.06Å; M1-M90 HydrophobicContact CG-CE 3.88Å; M1-M90 HydrophobicContact CG-SD 3.68Å; M1-M90 WeakPolarHBondContact O-CE 3.37Å; M1-M90 HydrophobicContact SD-SD 4.03Å; L4-M90 HydrophobicContact CB-CE 3.65Å; L4-M90 HydrophobicContact CD2-CE 4.04Å; L4-M90 HydrophobicContact CD2-SD 4.27Å; L4-M90 HydrophobicContact CG-CE 4.43Å; L8-M90 HydrophobicContact CD1-CE 3.96Å; L8-M90 HydrophobicContact CD1-CG 3.45Å; L8-M90 VanDerWaalsContact CD1-CG 3.45Å; L8-M90 HydrophobicContact CD1-SD 4.31Å; W65-M90 HydrophobicContact CZ2-CB 4.38Å; A86-M90 WeakPolarHBondContact O-CG 3.28Å; A86-M90 PolarHBondContact O-N 3.06Å; P87-M90 PolarHBondContact O-N 3.34Å; A88-M90 PolarHBondContact O-N 3.39Å; M90-I92 VanDerWaalsContact C-N 3.28Å; M90-I92 PolarHBondContact O-N 3.4Å; M90-C93 WeakPolarHBondContact O-CB 3.47Å; M90-C93 PolarHBondContact O-N 3.25Å; M90-I94 WeakPolarHBondContact O-CB 3.46Å; M90-I94 WeakPolarHBondContact O-CG1 3.44Å; M90-I94 PolarHBondContact O-N 2.95Å
91L96.7Very high95.3Very high0 Ų019.1 Ų19.10%010%0.103CC..Hα-helixtrans-56.9-44176.117360.7000110.8T62 W65 A66 P87 A88 Y89 I94 S95 V143 L146T62-L91 HydrophobicContact CG2-CD1 3.77Å; W65-L91 HydrophobicContact CB-CD1 4Å; W65-L91 HydrophobicContact CB-CD2 4.38Å; W65-L91 HydrophobicContact CD2-CB 4.44Å; W65-L91 HydrophobicContact CD2-CD1 4.25Å; W65-L91 HydrophobicContact CE3-CD1 4.44Å; W65-L91 HydrophobicContact CG-CB 4.49Å; W65-L91 HydrophobicContact CG-CD1 4.07Å; W65-L91 HydrophobicContact CG-CD2 4.32Å; A66-L91 HydrophobicContact CB-CD2 3.87Å; P87-L91 WeakPolarHBondContact O-CB 3.49Å; P87-L91 PolarHBondContact O-N 3.43Å; A88-L91 WeakPolarHBondContact O-CB 3.26Å; A88-L91 PolarHBondContact O-N 2.83Å; Y89-L91 VanDerWaalsContact C-N 3.35Å; Y89-L91 PolarHBondContact O-N 3.25Å; L91-I94 PolarHBondContact O-N 3.48Å; L91-S95 WeakPolarHBondContact O-CB 3.46Å; L91-S95 PolarHBondContact O-N 2.85Å; L91-S95 PolarHBondContact O-OG 3.36Å; L91-S95 VanDerWaalsContact O-OG 3.05Å; L91-V143 HydrophobicContact CD2-CG1 4.38Å; L91-V143 HydrophobicContact CD2-CG2 4.35Å; L91-L146 HydrophobicContact CD1-CD1 4.04Å; L91-L146 HydrophobicContact CD2-CD1 3.97Å; L91-L146 HydrophobicContact CG-CD1 3.66Å
92I97.4Very high95.4Very high0 Ų018.1 Ų18.10%010%0.098CC..Hα-helixtrans-66.7-38.6177.2-54.6-44.1000111.9A88 Y89 M90 S95 S96 F129 L133 V139 A142 V143 L146A88-I92 WeakPolarHBondContact O-CG1 3.46Å; A88-I92 PolarHBondContact O-N 2.97Å; A88-I92 VanDerWaalsContact O-N 3.16Å; Y89-I92 PolarHBondContact O-N 3.43Å; M90-I92 VanDerWaalsContact C-N 3.28Å; M90-I92 PolarHBondContact O-N 3.4Å; I92-S95 PolarHBondContact O-N 3.24Å; I92-S96 VanDerWaalsContact O-CB 3.3Å; I92-S96 WeakPolarHBondContact O-CB 3.36Å; I92-S96 PolarHBondContact O-N 3.13Å; I92-S96 PolarHBondContact O-OG 3.01Å; I92-F129 HydrophobicContact CG2-CB 3.88Å; I92-F129 HydrophobicContact CG2-CD1 4.5Å; I92-F129 HydrophobicContact CG2-CD2 3.92Å; I92-F129 HydrophobicContact CG2-CG 3.87Å; I92-L133 HydrophobicContact CB-CD2 4Å; I92-L133 HydrophobicContact CG2-CD1 4.18Å; I92-L133 HydrophobicContact CG2-CD2 3.85Å; I92-L133 HydrophobicContact CG2-CG 3.84Å; I92-V139 HydrophobicContact CG1-CG1 4.14Å; I92-A142 HydrophobicContact CD1-CB 3.55Å; I92-A142 HydrophobicContact CG1-CB 3.91Å; I92-A142 HydrophobicContact CG2-CB 4.42Å; I92-V143 HydrophobicContact CD1-CG2 3.98Å; I92-V143 HydrophobicContact CG1-CG2 4.42Å; I92-L146 HydrophobicContact CD1-CD1 3.64Å
93C96.2Very high95.4Very high2 Ų215.9 Ų15.91%0.0148%0.084CC..Hα-helixtrans-60.3-48.2173-72.70000112.1Y89 M90 S96 G97 L133Y89-C93 PolarHBondContact O-N 2.98Å; M90-C93 WeakPolarHBondContact O-CB 3.47Å; M90-C93 PolarHBondContact O-N 3.25Å; C93-S96 PolarHBondContact O-N 2.99Å; C93-G97 PolarHBondContact O-N 3.33Å; C93-L133 VanDerWaalsContact SG-CD2 3.57Å
94I95.9Very high95.3Very high35 Ų3515 Ų1518%0.1799%0.087CC..Hα-helixtrans-61.5-46.7179.3-71.7170.7000110F23 L61 T62 W65 M90 L91 G97 Y98F23-I94 HydrophobicContact CE2-CG2 3.79Å; F23-I94 WeakPolarHBondContact CE2-O 3.36Å; F23-I94 HydrophobicContact CZ-CG2 4.08Å; L61-I94 HydrophobicContact CD2-CG2 4.18Å; T62-I94 HydrophobicContact CG2-CG2 4.47Å; W65-I94 HydrophobicContact CE3-CD1 4.43Å; W65-I94 HydrophobicContact CH2-CD1 3.65Å; W65-I94 HydrophobicContact CZ3-CD1 3.44Å; W65-I94 VanDerWaalsContact CZ3-CD1 3.44Å; M90-I94 WeakPolarHBondContact O-CB 3.46Å; M90-I94 WeakPolarHBondContact O-CG1 3.44Å; M90-I94 PolarHBondContact O-N 2.95Å; L91-I94 PolarHBondContact O-N 3.48Å; I94-G97 PolarHBondContact O-N 2.84Å; I94-Y98 PolarHBondContact O-N 3.27Å
95S97.3Very high95.1Very high0 Ų013.4 Ų13.40%08%0.083CC..Hα-helixtrans-64.4-43.6178.6-61.30000112.8T62 L91 I92 G97 Y98 F99 L146T62-S95 WeakPolarHBondContact CG2-OG 3.37Å; L91-S95 WeakPolarHBondContact O-CB 3.46Å; L91-S95 PolarHBondContact O-N 2.85Å; L91-S95 PolarHBondContact O-OG 3.36Å; L91-S95 VanDerWaalsContact O-OG 3.05Å; I92-S95 PolarHBondContact O-N 3.24Å; S95-G97 VanDerWaalsContact C-N 3.3Å; S95-G97 PolarHBondContact O-N 2.9Å; S95-Y98 WeakPolarHBondContact O-CB 3.34Å; S95-Y98 PolarHBondContact O-N 2.85Å; S95-F99 WeakPolarHBondContact O-CD2 3.36Å; S95-F99 PolarHBondContact O-N 3.38Å; S95-L146 WeakPolarHBondContact OG-CD1 3.21Å
96S97.3Very high94.9Very high0 Ų012.2 Ų12.20%08%0.076CC..Hα-helixtrans-60.3-42.3175.3-57.30000111.4I92 C93 Y98 F99 V100 L126 F129I92-S96 VanDerWaalsContact O-CB 3.3Å; I92-S96 WeakPolarHBondContact O-CB 3.36Å; I92-S96 PolarHBondContact O-N 3.13Å; I92-S96 PolarHBondContact O-OG 3.01Å; C93-S96 PolarHBondContact O-N 2.99Å; S96-Y98 PolarHBondContact O-N 3.46Å; S96-F99 PolarHBondContact O-N 3.33Å; S96-V100 WeakPolarHBondContact O-CG2 3.49Å; S96-V100 PolarHBondContact O-N 2.89Å; S96-L126 WeakPolarHBondContact O-CD2 3.45Å; S96-F129 WeakPolarHBondContact OG-CB 3.36Å
97G96.4Very high94.7Very high0 Ų016.8 Ų16.80%010%0.099CC..Hα-helixtrans-61.6-42.3176.900000112.7V16 A20 C93 I94 S95 V100 Q101V16-G97 WeakPolarHBondContact O-CA 3.19Å; A20-G97 VanDerWaalsContact CA-O 3.28Å; A20-G97 WeakPolarHBondContact CA-O 3.2Å; A20-G97 VanDerWaalsContact CB-O 3.26Å; A20-G97 WeakPolarHBondContact CB-O 3.48Å; C93-G97 PolarHBondContact O-N 3.33Å; I94-G97 PolarHBondContact O-N 2.84Å; S95-G97 VanDerWaalsContact C-N 3.3Å; S95-G97 PolarHBondContact O-N 2.9Å; G97-V100 PolarHBondContact O-N 3.4Å; G97-Q101 WeakPolarHBondContact O-CB 3.48Å; G97-Q101 PolarHBondContact O-N 3.32Å
98Y96Very high94.5Very high8 Ų822.7 Ų22.73%0.03113%0.128CC..Hα-helixtrans-59.3-52172.9166.3-99.3000112F23 V54 S55 H58 I94 S95 S96 V100 Q101 D102F23-Y98 AromaticContact CD1-CD2 3.77Å; F23-Y98 HydrophobicContact CD1-CD2 3.77Å; F23-Y98 HydrophobicContact CD1-CG 4.49Å; F23-Y98 AromaticContact CE1-CD2 3.86Å; F23-Y98 HydrophobicContact CE1-CD2 3.86Å; F23-Y98 HydrophobicContact CE1-CG 4.36Å; F23-Y98 HydrophobicContact CG-CD2 4.24Å; F23-Y98 HydrophobicContact CZ-CD2 4.4Å; F23-Y98 HydrophobicContact CZ-CG 4.45Å; V54-Y98 HydrophobicContact CG1-CE2 4.19Å; S55-Y98 WeakPolarHBondContact CA-OH 3.03Å; S55-Y98 WeakPolarHBondContact CB-OH 3.45Å; S55-Y98 PolarHBondContact OG-OH 3.47Å; H58-Y98 HydrophobicContact CB-CD1 4.06Å; H58-Y98 HydrophobicContact CB-CD2 3.54Å; H58-Y98 HydrophobicContact CB-CE1 4.13Å; H58-Y98 HydrophobicContact CB-CE2 3.6Å; H58-Y98 HydrophobicContact CB-CG 3.78Å; H58-Y98 AromaticContact CD2-CD1 3.36Å; H58-Y98 WeakPolarHBondContact CD2-CD1 3.47Å; H58-Y98 AromaticContact CD2-CE1 3.46Å; H58-Y98 VanDerWaalsContact CD2-CE1 3.46Å; H58-Y98 WeakPolarHBondContact CD2-CE1 3.25Å; H58-Y98 AromaticContact CD2-CG 3.92Å; H58-Y98 AromaticContact CE1-CD1 3.55Å; H58-Y98 AromaticContact CE1-CG 3.79Å; H58-Y98 AromaticContact CG-CD1 3.32Å; H58-Y98 AromaticContact CG-CD2 3.69Å; H58-Y98 AromaticContact CG-CE1 3.66Å; H58-Y98 AromaticContact CG-CE2 3.98Å; H58-Y98 AromaticContact CG-CG 3.35Å; H58-Y98 AromaticContact CG-CZ 3.98Å; H58-Y98 WeakPolarHBondContact ND1-CB 3.38Å; H58-Y98 AromaticContact ND1-CD1 3.45Å; H58-Y98 WeakPolarHBondContact ND1-CD1 3.4Å; H58-Y98 AromaticContact ND1-CD2 3.94Å; H58-Y98 AromaticContact ND1-CG 3.27Å; H58-Y98 VanDerWaalsContact ND1-CG 3.27Å; H58-Y98 AromaticContact NE2-CD1 3.54Å; H58-Y98 AromaticContact NE2-CE1 3.99Å; I94-Y98 PolarHBondContact O-N 3.27Å; S95-Y98 WeakPolarHBondContact O-CB 3.34Å; S95-Y98 PolarHBondContact O-N 2.85Å; S96-Y98 PolarHBondContact O-N 3.46Å; Y98-V100 VanDerWaalsContact C-N 3.27Å; Y98-V100 PolarHBondContact O-N 2.93Å; Y98-Q101 PolarHBondContact O-N 2.7Å; Y98-D102 HydrophobicContact CE1-CB 4.38Å; Y98-D102 HydrophobicContact CE2-CB 4.19Å; Y98-D102 PolarHBondContact O-N 3.14Å; Y98-D102 PolarHBondContact OH-OD2 2.8Å
99F95.8Very high94Very high5 Ų525.3 Ų25.32%0.02214%0.144CC..Hα-helixtrans-60.7-37-178.1-71.3-58.5000112.5S95 S96 A103 H122 V125 L126 F129S95-F99 WeakPolarHBondContact O-CD2 3.36Å; S95-F99 PolarHBondContact O-N 3.38Å; S96-F99 PolarHBondContact O-N 3.33Å; F99-A103 WeakPolarHBondContact O-CB 3.38Å; F99-A103 PolarHBondContact O-N 3.43Å; F99-H122 AromaticContact CD1-CD2 3.48Å; F99-H122 VanDerWaalsContact CD1-CD2 3.48Å; F99-H122 WeakPolarHBondContact CD1-CD2 3.48Å; F99-H122 AromaticContact CD1-NE2 3.82Å; F99-H122 AromaticContact CE1-CD2 4Å; F99-V125 HydrophobicContact CD2-CG1 3.87Å; F99-V125 HydrophobicContact CE2-CG1 3.53Å; F99-V125 HydrophobicContact CZ-CG1 4.01Å; F99-L126 HydrophobicContact CB-CD1 4.09Å; F99-L126 HydrophobicContact CB-CD2 3.79Å; F99-L126 HydrophobicContact CB-CG 3.82Å; F99-F129 HydrophobicContact CD2-CE2 4.45Å; F99-F129 HydrophobicContact CE2-CD2 4.48Å; F99-F129 AromaticContact CE2-CE2 3.94Å; F99-F129 HydrophobicContact CE2-CE2 3.94Å
100V95.9Very high93.5Very high64 Ų6428.3 Ų28.339%0.38818%0.175SC..Hα-helixtrans-63.2-45.5172.9170.70000111V16 A20 S96 G97 Y98 G104 L126V16-V100 HydrophobicContact CG1-CG2 4.1Å; A20-V100 HydrophobicContact CB-CB 4.37Å; A20-V100 HydrophobicContact CB-CG1 4.23Å; S96-V100 WeakPolarHBondContact O-CG2 3.49Å; S96-V100 PolarHBondContact O-N 2.89Å; G97-V100 PolarHBondContact O-N 3.4Å; Y98-V100 VanDerWaalsContact C-N 3.27Å; Y98-V100 PolarHBondContact O-N 2.93Å; V100-G104 PolarHBondContact O-N 2.86Å; V100-L126 HydrophobicContact CG2-CD1 3.94Å; V100-L126 HydrophobicContact CG2-CD2 3.84Å
101Q94.8Very high93Very high19 Ų1929.8 Ų29.89%0.08918%0.182CC..Hα-helixtrans-65.3-45.2-180-174-83.8-64.300112A20 F23 R24 G97 Y98 G104 D105A20-Q101 HydrophobicContact CB-CB 4.29Å; F23-Q101 HydrophobicContact CB-CB 4.13Å; F23-Q101 HydrophobicContact CB-CG 4.05Å; R24-Q101 HydrophobicContact CB-CG 4.18Å; G97-Q101 WeakPolarHBondContact O-CB 3.48Å; G97-Q101 PolarHBondContact O-N 3.32Å; Y98-Q101 PolarHBondContact O-N 2.7Å; Q101-G104 PolarHBondContact O-N 3.33Å; Q101-D105 PolarHBondContact O-N 3.29Å
102D93.4Very high92.4Very high6 Ų631.3 Ų31.33%0.03219%0.194CC..Hα-helixtrans-67.4-43.8-178.8-162.655.1000111.1N51 Y98 G104 D105 I106 H122N51-D102 PolarHBondContact ND2-OD1 3.33Å; N51-D102 PolarHBondContact OD1-OD1 2.9Å; N51-D102 VanDerWaalsContact OD1-OD1 3.09Å; Y98-D102 HydrophobicContact CE1-CB 4.38Å; Y98-D102 HydrophobicContact CE2-CB 4.19Å; Y98-D102 PolarHBondContact O-N 3.14Å; Y98-D102 PolarHBondContact OH-OD2 2.8Å; D102-G104 VanDerWaalsContact C-N 3.3Å; D102-G104 PolarHBondContact O-N 3.34Å; D102-D105 PolarHBondContact O-N 3.41Å; D102-I106 VanDerWaalsContact O-CG1 3.32Å; D102-I106 WeakPolarHBondContact O-CG1 3.21Å; D102-I106 PolarHBondContact O-N 3.42Å; D102-H122 IonicContact OD2-CE1 2.95Å; D102-H122 PolarHBondContact OD2-CE1 3.38Å; D102-H122 IonicContact OD2-NE2 2.86Å
103A93.1Very high91.6Very high15 Ų1542.5 Ų42.512%0.12424%0.237CC..Hα-helixtrans-58.9-42.717200000111.9F99 I106 I107 L119 H122F99-A103 WeakPolarHBondContact O-CB 3.38Å; F99-A103 PolarHBondContact O-N 3.43Å; A103-I106 PolarHBondContact O-N 2.69Å; A103-I107 WeakPolarHBondContact O-CB 3.46Å; A103-I107 WeakPolarHBondContact O-CD1 3.48Å; A103-I107 VanDerWaalsContact O-CG1 3.24Å; A103-I107 WeakPolarHBondContact O-CG1 3.49Å; A103-I107 PolarHBondContact O-N 2.94Å; A103-I107 VanDerWaalsContact O-N 3.08Å; A103-L119 HydrophobicContact CB-CD2 4.04Å; A103-H122 HydrophobicContact CB-CB 4.41Å
104G92.3Very high90.9Very high26 Ų2645.7 Ų45.727%0.26827%0.269SS..Hα-helixtrans-60.9-43.6175.500000112.9V100 Q101 D102 I107 L108V100-G104 PolarHBondContact O-N 2.86Å; Q101-G104 PolarHBondContact O-N 3.33Å; D102-G104 VanDerWaalsContact C-N 3.3Å; D102-G104 PolarHBondContact O-N 3.34Å; G104-I107 PolarHBondContact O-N 3.43Å; G104-L108 VanDerWaalsContact O-CB 3.28Å; G104-L108 WeakPolarHBondContact O-CB 3.36Å; G104-L108 WeakPolarHBondContact O-CG 3.24Å; G104-L108 PolarHBondContact O-N 3.39Å
105D90.2Very high90.4Very high31 Ų3144.8 Ų44.817%0.16627%0.266CS..Hα-helixtrans-62.9-47.2178.1-164.573.7000111.5H27 W47 N51 Q101 D102 I107 L108 T109H27-D105 IonicContact CE1-OD1 3.44Å; H27-D105 IonicContact CE1-OD2 3.42Å; W47-D105 PolarHBondContact NE1-OD2 2.92Å; N51-D105 PolarHBondContact OD1-OD2 3.22Å; Q101-D105 PolarHBondContact O-N 3.29Å; D102-D105 PolarHBondContact O-N 3.41Å; D105-I107 VanDerWaalsContact C-N 3.31Å; D105-I107 PolarHBondContact O-N 2.99Å; D105-L108 PolarHBondContact O-N 3.11Å; D105-T109 VanDerWaalsContact O-CB 3.29Å; D105-T109 WeakPolarHBondContact O-CB 3.49Å; D105-T109 WeakPolarHBondContact O-CG2 3.1Å; D105-T109 PolarHBondContact O-N 3.16Å; D105-T109 PolarHBondContact O-OG1 3.19Å
106I88.4Confident90Very high5 Ų551.9 Ų51.93%0.02629%0.293CS..Hα-helixtrans-59.2-42.2178.5-66.3166.5000111.5W47 D102 A103 T109 H111 A112 L119W47-I106 HydrophobicContact CH2-CG1 4.14Å; W47-I106 HydrophobicContact CZ2-CG1 4.08Å; D102-I106 VanDerWaalsContact O-CG1 3.32Å; D102-I106 WeakPolarHBondContact O-CG1 3.21Å; D102-I106 PolarHBondContact O-N 3.42Å; A103-I106 PolarHBondContact O-N 2.69Å; I106-T109 PolarHBondContact O-OG1 3.19Å; I106-H111 PolarHBondContact O-N 3.48Å; I106-H111 VanDerWaalsContact O-N 3.1Å; I106-A112 PolarHBondContact O-N 3.16Å; I106-L119 HydrophobicContact CB-CD2 4.17Å; I106-L119 HydrophobicContact CD1-CD2 4.37Å; I106-L119 HydrophobicContact CG2-CD1 4.09Å; I106-L119 HydrophobicContact CG2-CD2 4Å; I106-L119 HydrophobicContact CG2-CG 4.08Å
107I90.9Very high89.6Confident98 Ų9854 Ų5450%0.50330%0.303SS..Hα-helixtrans-71.3-49.6-179-67.5166.5000110.8A103 G104 D105 T109 G110 A112 L119A103-I107 WeakPolarHBondContact O-CB 3.46Å; A103-I107 WeakPolarHBondContact O-CD1 3.48Å; A103-I107 VanDerWaalsContact O-CG1 3.24Å; A103-I107 WeakPolarHBondContact O-CG1 3.49Å; A103-I107 PolarHBondContact O-N 2.94Å; A103-I107 VanDerWaalsContact O-N 3.08Å; G104-I107 PolarHBondContact O-N 3.43Å; D105-I107 VanDerWaalsContact C-N 3.31Å; D105-I107 PolarHBondContact O-N 2.99Å; I107-T109 VanDerWaalsContact C-N 3.34Å; I107-T109 PolarHBondContact O-N 3.44Å; I107-G110 PolarHBondContact O-N 3.2Å; I107-A112 HydrophobicContact CG1-CB 4.49Å; I107-L119 HydrophobicContact CD1-CD2 4.27Å; I107-L119 HydrophobicContact CG1-CD1 4.1Å; I107-L119 HydrophobicContact CG1-CD2 4.11Å
108L89.6Confident89.2Confident148 Ų14858.4 Ų58.478%0.77532%0.322SS*.Hα-helixtrans-72.5-26.5-173.9-66.3174.2000113.1G104 D105 G110G104-L108 VanDerWaalsContact O-CB 3.28Å; G104-L108 WeakPolarHBondContact O-CB 3.36Å; G104-L108 WeakPolarHBondContact O-CG 3.24Å; G104-L108 PolarHBondContact O-N 3.39Å; D105-L108 PolarHBondContact O-N 3.11Å; L108-G110 VanDerWaalsContact C-N 3.27Å
109T84.8Confident89Confident55 Ų5559.3 Ų59.334%0.33733%0.328SS..THydrogen-bonded Turntrans-82.8-1.6175.159.90000113.4W47 D105 I106 I107 H111W47-T109 PolarHBondContact NE1-OG1 3.46Å; D105-T109 VanDerWaalsContact O-CB 3.29Å; D105-T109 WeakPolarHBondContact O-CB 3.49Å; D105-T109 WeakPolarHBondContact O-CG2 3.1Å; D105-T109 PolarHBondContact O-N 3.16Å; D105-T109 PolarHBondContact O-OG1 3.19Å; I106-T109 PolarHBondContact O-OG1 3.19Å; I107-T109 VanDerWaalsContact C-N 3.34Å; I107-T109 PolarHBondContact O-N 3.44Å; T109-H111 WeakPolarHBondContact CB-ND1 3.4Å; T109-H111 PolarHBondContact O-CE1 2.97Å; T109-H111 PolarHBondContact O-ND1 3.37Å; T109-H111 PolarHBondContact OG1-ND1 3.41Å
110G85.4Confident88.9Confident63 Ų6362.5 Ų62.565%0.64934%0.344SS*.THydrogen-bonded Turntrans82.86.2176.900000115.1I107 L108 A112I107-G110 PolarHBondContact O-N 3.2Å; L108-G110 VanDerWaalsContact C-N 3.27Å; G110-A112 VanDerWaalsContact C-N 3.33Å; G110-A112 PolarHBondContact O-N 3.36Å
111H85.4Confident88.9Confident46 Ų4661.2 Ų61.221%0.21333%0.334CS..  trans-88.15-177.2-61.5101.6000114.1F44 W47 I106 T109 R113 G114 S115F44-H111 AromaticContact CD2-CD2 3.49Å; F44-H111 VanDerWaalsContact CD2-CD2 3.49Å; F44-H111 WeakPolarHBondContact CD2-CD2 3.47Å; F44-H111 AromaticContact CD2-NE2 3.56Å; F44-H111 AromaticContact CE2-CD2 3.56Å; W47-H111 AromaticContact CD2-CE1 3.71Å; W47-H111 AromaticContact CD2-ND1 3.57Å; W47-H111 AromaticContact CE2-ND1 3.58Å; W47-H111 AromaticContact CE3-CE1 3.96Å; W47-H111 AromaticContact CE3-CG 3.89Å; W47-H111 AromaticContact CE3-ND1 3.8Å; W47-H111 AromaticContact CG-CE1 3.9Å; W47-H111 HydrophobicContact CH2-CB 3.7Å; W47-H111 AromaticContact CH2-CG 3.91Å; W47-H111 HydrophobicContact CZ2-CB 4.13Å; W47-H111 AromaticContact CZ2-ND1 3.85Å; W47-H111 HydrophobicContact CZ3-CB 3.91Å; W47-H111 AromaticContact CZ3-CG 3.77Å; I106-H111 PolarHBondContact O-N 3.48Å; I106-H111 VanDerWaalsContact O-N 3.1Å; T109-H111 WeakPolarHBondContact CB-ND1 3.4Å; T109-H111 PolarHBondContact O-CE1 2.97Å; T109-H111 PolarHBondContact O-ND1 3.37Å; T109-H111 PolarHBondContact OG1-ND1 3.41Å; H111-R113 VanDerWaalsContact C-N 3.32Å; H111-R113 PolarHBondContact O-N 3Å; H111-G114 PolarHBondContact O-N 3.33Å; H111-S115 PolarHBondContact O-N 3.03Å; H111-S115 VanDerWaalsContact O-N 3.15Å
112A83.2Confident88.9Confident32 Ų3260.7 Ų60.726%0.26433%0.331SS..G310 helixtrans-52.3-43-176.600000114.3I106 I107 G110 G114 S115 W116 L119I106-A112 PolarHBondContact O-N 3.16Å; I107-A112 HydrophobicContact CG1-CB 4.49Å; G110-A112 VanDerWaalsContact C-N 3.33Å; G110-A112 PolarHBondContact O-N 3.36Å; A112-G114 VanDerWaalsContact C-N 3.35Å; A112-G114 PolarHBondContact O-N 3.47Å; A112-S115 CarbonylContact O-C 3.49Å; A112-S115 PolarHBondContact O-N 3.5Å; A112-W116 WeakPolarHBondContact O-CA 3.25Å; A112-W116 PolarHBondContact O-N 3.29Å; A112-L119 HydrophobicContact CB-CD1 3.83Å
113R82.1Confident89Confident235 Ų23564.8 Ų64.889%0.88736%0.357SS*.G310 helixtrans-65.2-37.8179-72-175.4176.1174-0.4112.5H111 S115H111-R113 VanDerWaalsContact C-N 3.32Å; H111-R113 PolarHBondContact O-N 3Å; R113-S115 VanDerWaalsContact C-N 3.29Å; R113-S115 PolarHBondContact O-N 3.25Å
114G80.3Confident89.2Confident68 Ų6865 Ų6570%0.70136%0.356SS*.G310 helixtrans-79.1-11-18000000114H111 A112H111-G114 PolarHBondContact O-N 3.33Å; A112-G114 VanDerWaalsContact C-N 3.35Å; A112-G114 PolarHBondContact O-N 3.47Å
115S85.3Confident89.4Confident17 Ų1764.7 Ų64.712%0.11935%0.348CS..G310 helixtrans-131.827-176.7-64.70000112.3H111 A112 R113 E117 F118 L119H111-S115 PolarHBondContact O-N 3.03Å; H111-S115 VanDerWaalsContact O-N 3.15Å; A112-S115 CarbonylContact O-C 3.49Å; A112-S115 PolarHBondContact O-N 3.5Å; R113-S115 VanDerWaalsContact C-N 3.29Å; R113-S115 PolarHBondContact O-N 3.25Å; S115-E117 VanDerWaalsContact C-N 3.31Å; S115-E117 PolarHBondContact O-N 3.05Å; S115-F118 WeakPolarHBondContact O-CB 3.24Å; S115-F118 PolarHBondContact O-N 2.73Å; S115-F118 VanDerWaalsContact O-N 3.08Å; S115-L119 PolarHBondContact O-N 3.5Å; S115-L119 VanDerWaalsContact O-N 3.09Å
116W88.6Confident89.6Confident149 Ų14964.3 Ų64.356%0.56435%0.346SS*.Hα-helixtrans-60.8-37.9-17576.9-84000112.6A112 F118 L119 I120A112-W116 WeakPolarHBondContact O-CA 3.25Å; A112-W116 PolarHBondContact O-N 3.29Å; W116-F118 VanDerWaalsContact C-N 3.3Å; W116-F118 PolarHBondContact O-N 2.78Å; W116-L119 PolarHBondContact O-N 2.9Å; W116-I120 HydrophobicContact CE3-CD1 3.38Å; W116-I120 HydrophobicContact CE3-CG1 4.23Å; W116-I120 HydrophobicContact CH2-CD1 4.49Å; W116-I120 HydrophobicContact CZ3-CD1 3.26Å; W116-I120 HydrophobicContact CZ3-CG1 4.49Å; W116-I120 PolarHBondContact O-N 3.37Å
117E89.9Confident89.9Confident44 Ų4470.8 Ų70.821%0.20637%0.37CS..Hα-helixtrans-59.9-41.3176.3-59-179.3160.300110.8S115 I120 H121 M221 Y225 R228S115-E117 VanDerWaalsContact C-N 3.31Å; S115-E117 PolarHBondContact O-N 3.05Å; E117-I120 PolarHBondContact O-N 3.32Å; E117-H121 PolarHBondContact O-N 3.44Å; E117-M221 WeakPolarHBondContact O-CE 3.5Å; E117-Y225 WeakPolarHBondContact CB-OH 3.23Å; E117-Y225 WeakPolarHBondContact OE2-CE1 3.28Å; E117-Y225 PolarHBondContact OE2-OH 3.24Å; E117-R228 IonicContact OE1-CZ 2.71Å; E117-R228 IonicContact OE1-NH1 3.63Å; E117-R228 PolarHBondContact OE1-NH1 3.12Å; E117-R228 VanDerWaalsContact OE1-NH1 3.13Å; E117-R228 IonicContact OE1-NH2 3.04Å; E117-R228 PolarHBondContact OE1-NH2 3.22Å; E117-R228 IonicContact OE2-CZ 3.88Å; E117-R228 IonicContact OE2-NH1 3.29Å; E117-R228 PolarHBondContact OE2-NH1 3.16Å; E117-R228 IonicContact OE2-NH2 3.82Å
118F86.9Confident90.2Very high92 Ų9267.3 Ų67.340%0.40435%0.354SS..Hα-helixtrans-67.7-36.7176.3-64.1-72.6000112.5S115 W116 H121 H122S115-F118 WeakPolarHBondContact O-CB 3.24Å; S115-F118 PolarHBondContact O-N 2.73Å; S115-F118 VanDerWaalsContact O-N 3.08Å; W116-F118 VanDerWaalsContact C-N 3.3Å; W116-F118 PolarHBondContact O-N 2.78Å; F118-H121 WeakPolarHBondContact O-CB 3.33Å; F118-H121 PolarHBondContact O-N 3Å; F118-H122 PolarHBondContact O-CD2 3.31Å; F118-H122 PolarHBondContact O-N 3.15Å
119L92.3Very high90.5Very high28 Ų2860.6 Ų60.615%0.14732%0.319CS..Hα-helixtrans-64.8-41.2175.2-71175.9000111.8A103 I106 I107 A112 S115 W116 H121 H122 V123A103-L119 HydrophobicContact CB-CD2 4.04Å; I106-L119 HydrophobicContact CB-CD2 4.17Å; I106-L119 HydrophobicContact CD1-CD2 4.37Å; I106-L119 HydrophobicContact CG2-CD1 4.09Å; I106-L119 HydrophobicContact CG2-CD2 4Å; I106-L119 HydrophobicContact CG2-CG 4.08Å; I107-L119 HydrophobicContact CD1-CD2 4.27Å; I107-L119 HydrophobicContact CG1-CD1 4.1Å; I107-L119 HydrophobicContact CG1-CD2 4.11Å; A112-L119 HydrophobicContact CB-CD1 3.83Å; S115-L119 PolarHBondContact O-N 3.5Å; S115-L119 VanDerWaalsContact O-N 3.09Å; W116-L119 PolarHBondContact O-N 2.9Å; L119-H121 VanDerWaalsContact C-N 3.32Å; L119-H121 PolarHBondContact O-N 2.78Å; L119-H122 PolarHBondContact O-N 3.44Å; L119-V123 WeakPolarHBondContact O-CG2 3.35Å; L119-V123 PolarHBondContact O-N 2.84Å
120I94.7Very high91Very high71 Ų7160.6 Ų60.636%0.36432%0.317SS..Hα-helixtrans-61.7-44.2173.8-70-179000110.4W116 E117 H122 V123 L124 M221W116-I120 HydrophobicContact CE3-CD1 3.38Å; W116-I120 HydrophobicContact CE3-CG1 4.23Å; W116-I120 HydrophobicContact CH2-CD1 4.49Å; W116-I120 HydrophobicContact CZ3-CD1 3.26Å; W116-I120 HydrophobicContact CZ3-CG1 4.49Å; W116-I120 PolarHBondContact O-N 3.37Å; E117-I120 PolarHBondContact O-N 3.32Å; I120-H122 VanDerWaalsContact C-N 3.33Å; I120-H122 PolarHBondContact O-N 2.88Å; I120-V123 PolarHBondContact O-N 3.36Å; I120-L124 HydrophobicContact CG2-CD1 3.88Å; I120-L124 HydrophobicContact CG2-CG 4.21Å; I120-L124 VanDerWaalsContact O-CG 3.31Å; I120-L124 WeakPolarHBondContact O-CG 3.31Å; I120-L124 PolarHBondContact O-N 3.5Å; I120-M221 HydrophobicContact CG2-SD 4.25Å
121H95.1Very high91.5Very high37 Ų3760.1 Ų60.117%0.17130%0.296CS..Hα-helixtrans-54.7-48.6173.9168.663.1000111.8E117 F118 L119 V123 L124 V125 M218 M221E117-H121 PolarHBondContact O-N 3.44Å; F118-H121 WeakPolarHBondContact O-CB 3.33Å; F118-H121 PolarHBondContact O-N 3Å; L119-H121 VanDerWaalsContact C-N 3.32Å; L119-H121 PolarHBondContact O-N 2.78Å; H121-V123 VanDerWaalsContact C-N 3.34Å; H121-V123 PolarHBondContact O-N 3.11Å; H121-L124 PolarHBondContact O-N 2.89Å; H121-V125 VanDerWaalsContact CE1-CG2 3.4Å; H121-V125 WeakPolarHBondContact CE1-CG2 3.44Å; H121-V125 WeakPolarHBondContact O-CG2 3.16Å; H121-V125 PolarHBondContact O-N 3.43Å; H121-M218 VanDerWaalsContact ND1-CE 3.28Å; H121-M218 WeakPolarHBondContact ND1-CE 3.36Å; H121-M218 PolarHBondContact ND1-SD 2.86Å; H121-M218 VanDerWaalsContact ND1-SD 3.4Å; H121-M221 HydrophobicContact CB-CE 3.79Å
122H95.5Very high92Very high8 Ų858 Ų584%0.03729%0.286CS..Hα-helixtrans-61.6-41.9177.9-67.7173.7000112.4F99 D102 A103 F118 L119 I120 V125 L126F99-H122 AromaticContact CD1-CD2 3.48Å; F99-H122 VanDerWaalsContact CD1-CD2 3.48Å; F99-H122 WeakPolarHBondContact CD1-CD2 3.48Å; F99-H122 AromaticContact CD1-NE2 3.82Å; F99-H122 AromaticContact CE1-CD2 4Å; D102-H122 IonicContact OD2-CE1 2.95Å; D102-H122 PolarHBondContact OD2-CE1 3.38Å; D102-H122 IonicContact OD2-NE2 2.86Å; A103-H122 HydrophobicContact CB-CB 4.41Å; F118-H122 PolarHBondContact O-CD2 3.31Å; F118-H122 PolarHBondContact O-N 3.15Å; L119-H122 PolarHBondContact O-N 3.44Å; I120-H122 VanDerWaalsContact C-N 3.33Å; I120-H122 PolarHBondContact O-N 2.88Å; H122-V125 PolarHBondContact O-N 2.96Å; H122-L126 WeakPolarHBondContact O-CB 3.24Å; H122-L126 VanDerWaalsContact O-CG 3.25Å; H122-L126 WeakPolarHBondContact O-CG 3.36Å; H122-L126 PolarHBondContact O-N 3.18Å
123V95.5Very high92.6Very high93 Ų9356.5 Ų56.556%0.56427%0.274SS*.Hα-helixtrans-59.8-49.9176.5170.80000110L119 I120 H121 V125 L126 W127L119-V123 WeakPolarHBondContact O-CG2 3.35Å; L119-V123 PolarHBondContact O-N 2.84Å; I120-V123 PolarHBondContact O-N 3.36Å; H121-V123 VanDerWaalsContact C-N 3.34Å; H121-V123 PolarHBondContact O-N 3.11Å; V123-V125 VanDerWaalsContact C-N 3.35Å; V123-V125 PolarHBondContact O-N 3.37Å; V123-L126 PolarHBondContact O-N 2.58Å; V123-W127 WeakPolarHBondContact O-CB 3.3Å; V123-W127 PolarHBondContact O-N 3.36Å
124L96.3Very high93.2Very high20 Ų2052 Ų5211%0.10526%0.258CS..Hα-helixtrans-61.1-40.8-179.8-67.9175.1000112.6I120 H121 C128 T214 L217 M218 M221I120-L124 HydrophobicContact CG2-CD1 3.88Å; I120-L124 HydrophobicContact CG2-CG 4.21Å; I120-L124 VanDerWaalsContact O-CG 3.31Å; I120-L124 WeakPolarHBondContact O-CG 3.31Å; I120-L124 PolarHBondContact O-N 3.5Å; H121-L124 PolarHBondContact O-N 2.89Å; L124-C128 PolarHBondContact O-N 3.17Å; L124-T214 HydrophobicContact CB-CG2 3.98Å; L124-T214 HydrophobicContact CD2-CG2 4.09Å; L124-L217 HydrophobicContact CD1-CB 3.82Å; L124-L217 HydrophobicContact CD1-CD1 4.4Å; L124-L217 HydrophobicContact CD2-CD1 3.9Å; L124-M218 HydrophobicContact CB-CG 4.37Å; L124-M218 HydrophobicContact CB-SD 4.19Å; L124-M218 HydrophobicContact CD1-CG 4.28Å; L124-M218 HydrophobicContact CD1-SD 4.14Å; L124-M221 HydrophobicContact CD1-SD 4.19Å
125V96.1Very high93.8Very high18 Ų1850.7 Ų50.711%0.10924%0.238CC..Hα-helixtrans-70.8-49178.3175.50000111.3F99 H121 H122 V123 W127 C128 F129 M218F99-V125 HydrophobicContact CD2-CG1 3.87Å; F99-V125 HydrophobicContact CE2-CG1 3.53Å; F99-V125 HydrophobicContact CZ-CG1 4.01Å; H121-V125 VanDerWaalsContact CE1-CG2 3.4Å; H121-V125 WeakPolarHBondContact CE1-CG2 3.44Å; H121-V125 WeakPolarHBondContact O-CG2 3.16Å; H121-V125 PolarHBondContact O-N 3.43Å; H122-V125 PolarHBondContact O-N 2.96Å; V123-V125 VanDerWaalsContact C-N 3.35Å; V123-V125 PolarHBondContact O-N 3.37Å; V125-W127 PolarHBondContact O-N 2.84Å; V125-C128 PolarHBondContact O-N 3.45Å; V125-F129 HydrophobicContact CG1-CD1 4.16Å; V125-F129 HydrophobicContact CG1-CD2 3.98Å; V125-F129 HydrophobicContact CG1-CE1 3.96Å; V125-F129 HydrophobicContact CG1-CE2 3.77Å; V125-F129 HydrophobicContact CG1-CG 4.17Å; V125-F129 HydrophobicContact CG1-CZ 3.76Å; V125-F129 WeakPolarHBondContact O-CB 3.4Å; V125-F129 PolarHBondContact O-N 2.87Å; V125-M218 HydrophobicContact CG2-CE 4.44Å; V125-M218 HydrophobicContact CG2-SD 4.42Å
126L96.2Very high94.2Very high24 Ų2452.7 Ų52.713%0.12625%0.245CC..Hα-helixtrans-59.6-38.1178.3-77.5171.5000111.7S96 F99 V100 H122 V123 C128 F129 L130S96-L126 WeakPolarHBondContact O-CD2 3.45Å; F99-L126 HydrophobicContact CB-CD1 4.09Å; F99-L126 HydrophobicContact CB-CD2 3.79Å; F99-L126 HydrophobicContact CB-CG 3.82Å; V100-L126 HydrophobicContact CG2-CD1 3.94Å; V100-L126 HydrophobicContact CG2-CD2 3.84Å; H122-L126 WeakPolarHBondContact O-CB 3.24Å; H122-L126 VanDerWaalsContact O-CG 3.25Å; H122-L126 WeakPolarHBondContact O-CG 3.36Å; H122-L126 PolarHBondContact O-N 3.18Å; V123-L126 PolarHBondContact O-N 2.58Å; L126-C128 PolarHBondContact O-N 3.28Å; L126-F129 PolarHBondContact O-N 3.1Å; L126-L130 VanDerWaalsContact O-CB 3.25Å; L126-L130 WeakPolarHBondContact O-CB 3.18Å; L126-L130 WeakPolarHBondContact O-CG 3.25Å; L126-L130 PolarHBondContact O-N 3.42Å
127W94.2Very high94.4Very high140 Ų14047.6 Ų47.653%0.5323%0.228SC..Hα-helixtrans-57.4-49176-170.3-106.1000111.4V123 V125 Y131 Y210V123-W127 WeakPolarHBondContact O-CB 3.3Å; V123-W127 PolarHBondContact O-N 3.36Å; V125-W127 PolarHBondContact O-N 2.84Å; W127-Y131 PolarHBondContact O-N 3.11Å; W127-Y210 VanDerWaalsContact C-OH 3.29Å; W127-Y210 AromaticContact CD1-CE1 3.71Å; W127-Y210 AromaticContact CD1-CE2 3.48Å; W127-Y210 VanDerWaalsContact CD1-CE2 3.48Å; W127-Y210 AromaticContact CD1-CZ 3.09Å; W127-Y210 HydrophobicContact CD2-CE2 4.26Å; W127-Y210 AromaticContact CE2-CE2 3.3Å; W127-Y210 AromaticContact CE2-CZ 3.68Å; W127-Y210 HydrophobicContact CG-CE2 4.31Å; W127-Y210 AromaticContact CG-CZ 3.87Å; W127-Y210 VanDerWaalsContact CG-OH 3.27Å; W127-Y210 HydrophobicContact CZ2-CD2 4.43Å; W127-Y210 AromaticContact CZ2-CE2 3.7Å; W127-Y210 HydrophobicContact CZ2-CE2 3.7Å; W127-Y210 AromaticContact NE1-CD2 3.45Å; W127-Y210 AromaticContact NE1-CE1 3.86Å; W127-Y210 AromaticContact NE1-CE2 2.77Å; W127-Y210 AromaticContact NE1-CZ 2.98Å; W127-Y210 PolarHBondContact NE1-OH 3.16Å; W127-Y210 VanDerWaalsContact NE1-OH 3.15Å; W127-Y210 PolarHBondContact O-OH 3.24Å
128C95.9Very high94.7Very high25 Ų2546 Ų4617%0.16922%0.221CC..Hα-helixtrans-68.6-42.6175.3-73.20000113.2L124 V125 L126 Y131 S132 F211 T214L124-C128 PolarHBondContact O-N 3.17Å; V125-C128 PolarHBondContact O-N 3.45Å; L126-C128 PolarHBondContact O-N 3.28Å; C128-Y131 PolarHBondContact O-N 2.9Å; C128-S132 PolarHBondContact O-N 3.31Å; C128-F211 HydrophobicContact CB-CE1 4.3Å; C128-T214 WeakPolarHBondContact SG-CG2 3.49Å
129F97.3Very high95.2Very high7 Ų741.6 Ų41.63%0.03120%0.202CC..Hα-helixtrans-69.4-42.6-175.5-77.414000112I92 S96 F99 V125 L126 Y131 S132 L133 A142 A145 L146I92-F129 HydrophobicContact CG2-CB 3.88Å; I92-F129 HydrophobicContact CG2-CD1 4.5Å; I92-F129 HydrophobicContact CG2-CD2 3.92Å; I92-F129 HydrophobicContact CG2-CG 3.87Å; S96-F129 WeakPolarHBondContact OG-CB 3.36Å; F99-F129 HydrophobicContact CD2-CE2 4.45Å; F99-F129 HydrophobicContact CE2-CD2 4.48Å; F99-F129 AromaticContact CE2-CE2 3.94Å; F99-F129 HydrophobicContact CE2-CE2 3.94Å; V125-F129 HydrophobicContact CG1-CD1 4.16Å; V125-F129 HydrophobicContact CG1-CD2 3.98Å; V125-F129 HydrophobicContact CG1-CE1 3.96Å; V125-F129 HydrophobicContact CG1-CE2 3.77Å; V125-F129 HydrophobicContact CG1-CG 4.17Å; V125-F129 HydrophobicContact CG1-CZ 3.76Å; V125-F129 WeakPolarHBondContact O-CB 3.4Å; V125-F129 PolarHBondContact O-N 2.87Å; L126-F129 PolarHBondContact O-N 3.1Å; F129-Y131 VanDerWaalsContact C-N 3.35Å; F129-Y131 PolarHBondContact O-N 3.37Å; F129-S132 WeakPolarHBondContact O-CB 3.39Å; F129-S132 PolarHBondContact O-N 3Å; F129-S132 VanDerWaalsContact O-N 3.17Å; F129-L133 VanDerWaalsContact O-CG 3.31Å; F129-L133 WeakPolarHBondContact O-CG 3.37Å; F129-L133 PolarHBondContact O-N 3.06Å; F129-A142 HydrophobicContact CD1-CB 3.82Å; F129-A142 HydrophobicContact CE1-CB 3.71Å; F129-A142 HydrophobicContact CZ-CB 4.47Å; F129-A145 HydrophobicContact CE1-CB 4.47Å; F129-L146 HydrophobicContact CE2-CD1 4.36Å; F129-L146 HydrophobicContact CE2-CD2 3.92Å; F129-L146 HydrophobicContact CE2-CG 4.18Å; F129-L146 HydrophobicContact CZ-CD1 4.33Å; F129-L146 HydrophobicContact CZ-CD2 3.82Å; F129-L146 HydrophobicContact CZ-CG 3.8Å
130L95.6Very high95.4Very high56 Ų5640.3 Ų40.329%0.29320%0.195SC..Hα-helixtrans-64-42176.1-68.7174.4000110.9V16 L126 S132 L133 Y134V16-L130 HydrophobicContact CG2-CD2 4.25Å; L126-L130 VanDerWaalsContact O-CB 3.25Å; L126-L130 WeakPolarHBondContact O-CB 3.18Å; L126-L130 WeakPolarHBondContact O-CG 3.25Å; L126-L130 PolarHBondContact O-N 3.42Å; L130-S132 VanDerWaalsContact C-N 3.27Å; L130-S132 PolarHBondContact O-N 3.2Å; L130-L133 PolarHBondContact O-N 2.94Å; L130-Y134 HydrophobicContact CB-CD2 4.41Å; L130-Y134 HydrophobicContact CD2-CE2 4.39Å; L130-Y134 WeakPolarHBondContact O-CD2 3.3Å; L130-Y134 PolarHBondContact O-N 3.09Å
131Y95.6Very high95.5Very high53 Ų5337.3 Ų37.321%0.20818%0.181CC..Hα-helixtrans-54.9-47.1172.6-179.6-84.1000111.1W127 C128 F129 L133 Y134 S135 Y138 K207 F211W127-Y131 PolarHBondContact O-N 3.11Å; C128-Y131 PolarHBondContact O-N 2.9Å; F129-Y131 VanDerWaalsContact C-N 3.35Å; F129-Y131 PolarHBondContact O-N 3.37Å; Y131-L133 PolarHBondContact O-N 3.08Å; Y131-Y134 PolarHBondContact O-N 3.45Å; Y131-S135 WeakPolarHBondContact CE1-OG 3.45Å; Y131-S135 VanDerWaalsContact O-CB 3.31Å; Y131-S135 WeakPolarHBondContact O-CB 3.34Å; Y131-S135 PolarHBondContact O-N 3.44Å; Y131-S135 PolarHBondContact O-OG 3.42Å; Y131-Y138 HydrophobicContact CD1-CD2 4.38Å; Y131-Y138 AromaticContact CE1-CD2 3.86Å; Y131-Y138 HydrophobicContact CE1-CD2 3.86Å; Y131-Y138 AromaticContact CE1-CE2 3.99Å; Y131-Y138 HydrophobicContact CE1-CE2 3.99Å; Y131-K207 HydrophobicContact CE2-CG 3.99Å; Y131-F211 HydrophobicContact CD1-CE1 4.47Å; Y131-F211 HydrophobicContact CD1-CE2 4.09Å; Y131-F211 AromaticContact CD1-CZ 3.47Å; Y131-F211 HydrophobicContact CD1-CZ 3.47Å; Y131-F211 VanDerWaalsContact CD1-CZ 3.47Å; Y131-F211 AromaticContact CE1-CE2 3.87Å; Y131-F211 HydrophobicContact CE1-CE2 3.87Å; Y131-F211 AromaticContact CE1-CZ 3.72Å; Y131-F211 HydrophobicContact CE1-CZ 3.72Å; Y131-F211 HydrophobicContact CG-CZ 4.18Å
132S95.3Very high95.6Very high2 Ų235.9 Ų35.91%0.01418%0.176CC..Hα-helixtrans-63.3-40.6179.7-176.90000113.1C128 F129 L130 H136 L137 V139C128-S132 PolarHBondContact O-N 3.31Å; F129-S132 WeakPolarHBondContact O-CB 3.39Å; F129-S132 PolarHBondContact O-N 3Å; F129-S132 VanDerWaalsContact O-N 3.17Å; L130-S132 VanDerWaalsContact C-N 3.27Å; L130-S132 PolarHBondContact O-N 3.2Å; S132-H136 WeakPolarHBondContact O-CA 3.14Å; S132-H136 PolarHBondContact O-N 2.88Å; S132-L137 WeakPolarHBondContact CA-O 3.2Å; S132-L137 VanDerWaalsContact CB-O 3.3Å; S132-L137 WeakPolarHBondContact CB-O 3.5Å; S132-L137 PolarHBondContact OG-O 3.25Å; S132-V139 WeakPolarHBondContact OG-CA 3.36Å; S132-V139 WeakPolarHBondContact OG-CG2 3.33Å; S132-V139 PolarHBondContact OG-N 3.08Å; S132-V139 VanDerWaalsContact OG-N 3.08Å
133L95.4Very high95.7Very high0 Ų035.5 Ų35.50%017%0.174CC..Hα-helixtrans-66.9-43.8177.3-69.8175.3000112.3P12 V16 Y89 I92 C93 F129 L130 Y131 H136P12-L133 HydrophobicContact CB-CB 4.13Å; V16-L133 HydrophobicContact CG2-CD1 3.72Å; Y89-L133 HydrophobicContact CD1-CD2 4.26Å; Y89-L133 HydrophobicContact CD2-CD2 4.07Å; Y89-L133 HydrophobicContact CE1-CD2 3.85Å; Y89-L133 HydrophobicContact CE2-CD2 3.63Å; Y89-L133 HydrophobicContact CG-CD2 4.37Å; Y89-L133 PolarHBondContact OH-O 3Å; I92-L133 HydrophobicContact CB-CD2 4Å; I92-L133 HydrophobicContact CG2-CD1 4.18Å; I92-L133 HydrophobicContact CG2-CD2 3.85Å; I92-L133 HydrophobicContact CG2-CG 3.84Å; C93-L133 VanDerWaalsContact SG-CD2 3.57Å; F129-L133 VanDerWaalsContact O-CG 3.31Å; F129-L133 WeakPolarHBondContact O-CG 3.37Å; F129-L133 PolarHBondContact O-N 3.06Å; L130-L133 PolarHBondContact O-N 2.94Å; Y131-L133 PolarHBondContact O-N 3.08Å; L133-H136 PolarHBondContact O-CE1 2.67Å; L133-H136 VanDerWaalsContact O-CE1 3.25Å; L133-H136 PolarHBondContact O-ND1 3.02Å; L133-H136 VanDerWaalsContact O-ND1 3.13Å
134Y94.7Very high95.8Very high140 Ų14031.4 Ų31.455%0.54915%0.149SC..Hα-helixtrans-76.5-33.7-178.4-80.2-73.2000113.8P12 G13 L130 Y131P12-Y134 HydrophobicContact CB-CD1 4.32Å; P12-Y134 HydrophobicContact CB-CE1 4.15Å; P12-Y134 HydrophobicContact CG-CD1 4.03Å; P12-Y134 HydrophobicContact CG-CE1 4.09Å; G13-Y134 WeakPolarHBondContact CA-OH 3.19Å; G13-Y134 PolarHBondContact N-OH 2.78Å; L130-Y134 HydrophobicContact CB-CD2 4.41Å; L130-Y134 HydrophobicContact CD2-CE2 4.39Å; L130-Y134 WeakPolarHBondContact O-CD2 3.3Å; L130-Y134 PolarHBondContact O-N 3.09Å; Y131-Y134 PolarHBondContact O-N 3.45Å
135S93.2Very high95.8Very high40 Ų4031.6 Ų31.628%0.2815%0.154SC..Hα-helixtrans-88.4-17178.762.80000113.3Y131 L137Y131-S135 WeakPolarHBondContact CE1-OG 3.45Å; Y131-S135 VanDerWaalsContact O-CB 3.31Å; Y131-S135 WeakPolarHBondContact O-CB 3.34Å; Y131-S135 PolarHBondContact O-N 3.44Å; Y131-S135 PolarHBondContact O-OG 3.42Å; S135-L137 PolarHBondContact O-N 3.01Å; S135-L137 VanDerWaalsContact O-N 3.16Å; S135-L137 PolarHBondContact OG-N 3.21Å
136H93.4Very high95.9Very high59 Ų5930.9 Ų30.927%0.27315%0.149SC..  trans58.614.5-168-47.9-55.8000114.1Y84 Y89 S132 L133Y84-H136 HydrophobicContact CE1-CB 4.16Å; Y84-H136 VanDerWaalsContact CE1-O 3.28Å; Y84-H136 WeakPolarHBondContact CE1-O 3.11Å; Y89-H136 AromaticContact CE2-ND1 3.57Å; Y89-H136 AromaticContact CZ-ND1 3.98Å; S132-H136 WeakPolarHBondContact O-CA 3.14Å; S132-H136 PolarHBondContact O-N 2.88Å; L133-H136 PolarHBondContact O-CE1 2.67Å; L133-H136 VanDerWaalsContact O-CE1 3.25Å; L133-H136 PolarHBondContact O-ND1 3.02Å; L133-H136 VanDerWaalsContact O-ND1 3.13Å
137L93.7Very high95.9Very high42 Ų4231.6 Ų31.622%0.2215%0.152CC..  trans-99.8156.3175.3-61.8175.8000110.4S132 S135 V139S132-L137 WeakPolarHBondContact CA-O 3.2Å; S132-L137 VanDerWaalsContact CB-O 3.3Å; S132-L137 WeakPolarHBondContact CB-O 3.5Å; S132-L137 PolarHBondContact OG-O 3.25Å; S135-L137 PolarHBondContact O-N 3.01Å; S135-L137 VanDerWaalsContact O-N 3.16Å; S135-L137 PolarHBondContact OG-N 3.21Å; L137-V139 PolarHBondContact O-N 3.42Å
138Y95.6Very high96.1Very high10 Ų1025.6 Ų25.64%0.03913%0.131CC..SBendtrans60.117.4173.5-47.3-66.5000116.1I80 H81 Y131 A140 G141 A142 M205 D206 F211I80-Y138 HydrophobicContact CG2-CD1 4.48Å; I80-Y138 VanDerWaalsContact O-CA 3.32Å; I80-Y138 WeakPolarHBondContact O-CA 3.45Å; H81-Y138 HydrophobicContact CB-CE1 4.24Å; H81-Y138 AromaticContact CD2-CE1 3.46Å; H81-Y138 VanDerWaalsContact CD2-CE1 3.46Å; H81-Y138 WeakPolarHBondContact CD2-CE1 3.19Å; H81-Y138 AromaticContact CD2-CZ 3.58Å; H81-Y138 PolarHBondContact CD2-OH 3.13Å; H81-Y138 VanDerWaalsContact CD2-OH 3.25Å; H81-Y138 PolarHBondContact NE2-OH 3.41Å; H81-Y138 PolarHBondContact O-N 2.89Å; Y131-Y138 HydrophobicContact CD1-CD2 4.38Å; Y131-Y138 AromaticContact CE1-CD2 3.86Å; Y131-Y138 HydrophobicContact CE1-CD2 3.86Å; Y131-Y138 AromaticContact CE1-CE2 3.99Å; Y131-Y138 HydrophobicContact CE1-CE2 3.99Å; Y138-A140 VanDerWaalsContact C-N 3.29Å; Y138-A140 PolarHBondContact O-N 3.05Å; Y138-G141 WeakPolarHBondContact O-CA 3.42Å; Y138-G141 PolarHBondContact O-N 2.93Å; Y138-A142 PolarHBondContact O-N 3.2Å; Y138-M205 HydrophobicContact CD1-CE 3.93Å; Y138-M205 HydrophobicContact CE1-CE 3.6Å; Y138-M205 HydrophobicContact CE1-CG 3.99Å; Y138-M205 HydrophobicContact CE2-CE 4.22Å; Y138-M205 HydrophobicContact CG-CE 4.37Å; Y138-M205 WeakPolarHBondContact OH-CG 3.14Å; Y138-D206 HydrophobicContact CE2-CB 4.27Å; Y138-D206 WeakPolarHBondContact OH-CB 3.42Å; Y138-D206 PolarHBondContact OH-N 2.97Å; Y138-D206 PolarHBondContact OH-OD2 3.44Å; Y138-F211 AromaticContact CD2-CE2 3.73Å; Y138-F211 HydrophobicContact CD2-CE2 3.73Å; Y138-F211 AromaticContact CD2-CZ 3.71Å; Y138-F211 HydrophobicContact CD2-CZ 3.71Å; Y138-F211 AromaticContact CE2-CE2 3.73Å; Y138-F211 HydrophobicContact CE2-CE2 3.73Å; Y138-F211 HydrophobicContact CE2-CZ 4.2Å; Y138-F211 HydrophobicContact CG-CZ 4.35Å
139V96.8Very high96.1Very high1 Ų124.9 Ų24.91%0.00613%0.125CC..Hα-helixtrans-61.9-41.6178.2174.20000110Y84 A88 Y89 I92 S132 L137 G141 A142 V143Y84-V139 HydrophobicContact CD1-CB 4.3Å; Y84-V139 HydrophobicContact CD1-CG2 4.24Å; Y84-V139 HydrophobicContact CG-CB 4.1Å; Y84-V139 HydrophobicContact CG-CG1 4.21Å; Y84-V139 HydrophobicContact CG-CG2 4.27Å; A88-V139 HydrophobicContact CB-CG1 4.3Å; Y89-V139 HydrophobicContact CD2-CG1 4.5Å; Y89-V139 HydrophobicContact CD2-CG2 4.05Å; I92-V139 HydrophobicContact CG1-CG1 4.14Å; S132-V139 WeakPolarHBondContact OG-CA 3.36Å; S132-V139 WeakPolarHBondContact OG-CG2 3.33Å; S132-V139 PolarHBondContact OG-N 3.08Å; S132-V139 VanDerWaalsContact OG-N 3.08Å; L137-V139 PolarHBondContact O-N 3.42Å; V139-G141 VanDerWaalsContact C-N 3.32Å; V139-G141 PolarHBondContact O-N 3.29Å; V139-A142 WeakPolarHBondContact O-CB 3.42Å; V139-A142 PolarHBondContact O-N 3.06Å; V139-A142 VanDerWaalsContact O-N 3.16Å; V139-V143 WeakPolarHBondContact O-CG2 3.33Å; V139-V143 PolarHBondContact O-N 3.42Å
140A96.8Very high96.1Very high0 Ų025.8 Ų25.80%013%0.131CC..Hα-helixtrans-52.9-46.716900000112.7L76 I80 F83 Y138 A142 V143 V144L76-A140 HydrophobicContact CB-CB 4.47Å; L76-A140 HydrophobicContact CD2-CB 3.91Å; L76-A140 WeakPolarHBondContact O-CB 3.35Å; I80-A140 HydrophobicContact CD1-CB 4.25Å; F83-A140 VanDerWaalsContact O-CB 3.23Å; F83-A140 WeakPolarHBondContact O-CB 3.1Å; Y138-A140 VanDerWaalsContact C-N 3.29Å; Y138-A140 PolarHBondContact O-N 3.05Å; A140-A142 VanDerWaalsContact C-N 3.34Å; A140-A142 PolarHBondContact O-N 3.4Å; A140-V143 WeakPolarHBondContact O-CB 3.37Å; A140-V143 PolarHBondContact O-N 3.18Å; A140-V143 VanDerWaalsContact O-N 3.15Å; A140-V144 WeakPolarHBondContact O-CG2 3.21Å; A140-V144 PolarHBondContact O-N 3.01Å
141G96.4Very high96.2Very high8 Ų823.1 Ų23.18%0.08212%0.117CC..Hα-helixtrans-61.2-40.4175.800000113.1Y138 V139 V143 V144 A145Y138-G141 WeakPolarHBondContact O-CA 3.42Å; Y138-G141 PolarHBondContact O-N 2.93Å; V139-G141 VanDerWaalsContact C-N 3.32Å; V139-G141 PolarHBondContact O-N 3.29Å; G141-V143 VanDerWaalsContact C-N 3.34Å; G141-V143 PolarHBondContact O-N 3.16Å; G141-V144 PolarHBondContact O-N 2.76Å; G141-A145 WeakPolarHBondContact O-CB 3.38Å; G141-A145 PolarHBondContact O-N 3.32Å
142A97.3Very high96.2Very high8 Ų820.9 Ų20.97%0.06611%0.109CC..Hα-helixtrans-65.2-35.8174.700000112.3I92 F129 Y138 V139 A140 A145 L146I92-A142 HydrophobicContact CD1-CB 3.55Å; I92-A142 HydrophobicContact CG1-CB 3.91Å; I92-A142 HydrophobicContact CG2-CB 4.42Å; F129-A142 HydrophobicContact CD1-CB 3.82Å; F129-A142 HydrophobicContact CE1-CB 3.71Å; F129-A142 HydrophobicContact CZ-CB 4.47Å; Y138-A142 PolarHBondContact O-N 3.2Å; V139-A142 WeakPolarHBondContact O-CB 3.42Å; V139-A142 PolarHBondContact O-N 3.06Å; V139-A142 VanDerWaalsContact O-N 3.16Å; A140-A142 VanDerWaalsContact C-N 3.34Å; A140-A142 PolarHBondContact O-N 3.4Å; A142-A145 WeakPolarHBondContact O-CB 3.38Å; A142-A145 PolarHBondContact O-N 2.87Å; A142-L146 PolarHBondContact O-N 2.99Å; A142-L146 VanDerWaalsContact O-N 3.13Å
143V97.9Very high96.3Very high0 Ų022.1 Ų22.10%012%0.116CC..Hα-helixtrans-65.4-45.3173.4173.20000111A66 C69 V70 A88 L91 I92 V139 A140 G141 A145 L146A66-V143 HydrophobicContact CB-CG1 4.22Å; C69-V143 HydrophobicContact CB-CG1 4.28Å; V70-V143 HydrophobicContact CG2-CG1 4.09Å; A88-V143 HydrophobicContact CB-CG2 3.76Å; L91-V143 HydrophobicContact CD2-CG1 4.38Å; L91-V143 HydrophobicContact CD2-CG2 4.35Å; I92-V143 HydrophobicContact CD1-CG2 3.98Å; I92-V143 HydrophobicContact CG1-CG2 4.42Å; V139-V143 WeakPolarHBondContact O-CG2 3.33Å; V139-V143 PolarHBondContact O-N 3.42Å; A140-V143 WeakPolarHBondContact O-CB 3.37Å; A140-V143 PolarHBondContact O-N 3.18Å; A140-V143 VanDerWaalsContact O-N 3.15Å; G141-V143 VanDerWaalsContact C-N 3.34Å; G141-V143 PolarHBondContact O-N 3.16Å; V143-A145 VanDerWaalsContact C-N 3.26Å; V143-A145 PolarHBondContact O-N 3.07Å; V143-L146 WeakPolarHBondContact O-CB 3.48Å; V143-L146 PolarHBondContact O-N 3.2Å
144V97.3Very high96.3Very high6 Ų622.5 Ų22.54%0.03612%0.119CC..Hα-helixtrans-61.9-37.8175.2175.60000110.7I80 A140 G141 L146 F147 A190 Y193 L194I80-V144 HydrophobicContact CD1-CG2 4.02Å; A140-V144 WeakPolarHBondContact O-CG2 3.21Å; A140-V144 PolarHBondContact O-N 3.01Å; G141-V144 PolarHBondContact O-N 2.76Å; V144-L146 PolarHBondContact O-N 3.2Å; V144-F147 VanDerWaalsContact O-CB 3.29Å; V144-F147 WeakPolarHBondContact O-CB 3.44Å; V144-F147 PolarHBondContact O-N 3.45Å; V144-F147 VanDerWaalsContact O-N 3.08Å; V144-A190 HydrophobicContact CG1-CB 4.45Å; V144-Y193 HydrophobicContact CG1-CD1 3.86Å; V144-Y193 HydrophobicContact CG1-CE1 4.26Å; V144-L194 HydrophobicContact CB-CD2 4.15Å; V144-L194 HydrophobicContact CG1-CD1 4.29Å; V144-L194 HydrophobicContact CG1-CD2 4.05Å; V144-L194 HydrophobicContact CG1-CG 4.01Å
145A97.3Very high96.3Very high24 Ų2417.8 Ų17.820%0.19810%0.103CC..Hα-helixtrans-62.1-30.2175.200000112.4F129 G141 A142 V143 F147 V148 L194F129-A145 HydrophobicContact CE1-CB 4.47Å; G141-A145 WeakPolarHBondContact O-CB 3.38Å; G141-A145 PolarHBondContact O-N 3.32Å; A142-A145 WeakPolarHBondContact O-CB 3.38Å; A142-A145 PolarHBondContact O-N 2.87Å; V143-A145 VanDerWaalsContact C-N 3.26Å; V143-A145 PolarHBondContact O-N 3.07Å; A145-F147 PolarHBondContact O-N 2.96Å; A145-V148 WeakPolarHBondContact O-CG1 3.35Å; A145-V148 VanDerWaalsContact O-CG2 3.24Å; A145-V148 WeakPolarHBondContact O-CG2 3.2Å; A145-V148 PolarHBondContact O-N 2.94Å; A145-L194 HydrophobicContact CB-CD1 3.7Å
146L97.6Very high96.3Very high3 Ų317.2 Ų17.22%0.01610%0.096CC..THydrogen-bonded Turntrans-73.8-6.5175.8-73.8171.8000114.1A66 L91 I92 S95 F129 A142 V143 V144 V148 E149A66-L146 HydrophobicContact CB-CB 4.04Å; L91-L146 HydrophobicContact CD1-CD1 4.04Å; L91-L146 HydrophobicContact CD2-CD1 3.97Å; L91-L146 HydrophobicContact CG-CD1 3.66Å; I92-L146 HydrophobicContact CD1-CD1 3.64Å; S95-L146 WeakPolarHBondContact OG-CD1 3.21Å; F129-L146 HydrophobicContact CE2-CD1 4.36Å; F129-L146 HydrophobicContact CE2-CD2 3.92Å; F129-L146 HydrophobicContact CE2-CG 4.18Å; F129-L146 HydrophobicContact CZ-CD1 4.33Å; F129-L146 HydrophobicContact CZ-CD2 3.82Å; F129-L146 HydrophobicContact CZ-CG 3.8Å; A142-L146 PolarHBondContact O-N 2.99Å; A142-L146 VanDerWaalsContact O-N 3.13Å; V143-L146 WeakPolarHBondContact O-CB 3.48Å; V143-L146 PolarHBondContact O-N 3.2Å; V144-L146 PolarHBondContact O-N 3.2Å; L146-V148 PolarHBondContact O-N 3.36Å; L146-V148 VanDerWaalsContact O-N 3.12Å; L146-E149 HydrophobicContact CD2-CG 3.95Å; L146-E149 VanDerWaalsContact O-CB 3.25Å; L146-E149 WeakPolarHBondContact O-CB 3.31Å; L146-E149 WeakPolarHBondContact O-CG 3.45Å; L146-E149 PolarHBondContact O-N 3.2Å
147F97.6Very high96.3Very high39 Ų3917.6 Ų17.617%0.17110%0.099CC..THydrogen-bonded Turntrans-59.4-26172.2-79.421.8000111.6A66 V70 V144 A145 E149 V150 F186 A190A66-F147 HydrophobicContact CB-CD1 3.92Å; A66-F147 HydrophobicContact CB-CE1 4.04Å; V70-F147 HydrophobicContact CB-CE1 4.38Å; V70-F147 HydrophobicContact CB-CZ 3.88Å; V70-F147 HydrophobicContact CG1-CZ 4.19Å; V70-F147 HydrophobicContact CG2-CE1 3.76Å; V70-F147 HydrophobicContact CG2-CZ 3.61Å; V144-F147 VanDerWaalsContact O-CB 3.29Å; V144-F147 WeakPolarHBondContact O-CB 3.44Å; V144-F147 PolarHBondContact O-N 3.45Å; V144-F147 VanDerWaalsContact O-N 3.08Å; A145-F147 PolarHBondContact O-N 2.96Å; F147-E149 PolarHBondContact O-N 3.43Å; F147-E149 VanDerWaalsContact O-N 3.08Å; F147-V150 WeakPolarHBondContact O-CB 3.46Å; F147-V150 PolarHBondContact O-N 2.89Å; F147-F186 HydrophobicContact CB-CD1 4.43Å; F147-F186 HydrophobicContact CD2-CD1 4.4Å; F147-F186 WeakPolarHBondContact O-CB 3.34Å; F147-A190 HydrophobicContact CB-CB 3.99Å
148V96.8Very high96.3Very high15 Ų1516.3 Ų16.39%0.0919%0.091CC..Hα-helixtrans-57.5-23.5173.9-53.50000112.9A145 L146 V150 N151 S152 R187A145-V148 WeakPolarHBondContact O-CG1 3.35Å; A145-V148 VanDerWaalsContact O-CG2 3.24Å; A145-V148 WeakPolarHBondContact O-CG2 3.2Å; A145-V148 PolarHBondContact O-N 2.94Å; L146-V148 PolarHBondContact O-N 3.36Å; L146-V148 VanDerWaalsContact O-N 3.12Å; V148-V150 VanDerWaalsContact C-N 3.29Å; V148-V150 PolarHBondContact O-N 2.93Å; V148-N151 PolarHBondContact O-N 3.09Å; V148-S152 PolarHBondContact O-N 3.44Å; V148-S152 PolarHBondContact O-OG 3.21Å; V148-R187 HydrophobicContact CB-CB 4.49Å; V148-R187 HydrophobicContact CB-CG 4.35Å; V148-R187 HydrophobicContact CG1-CB 4.32Å; V148-R187 HydrophobicContact CG1-CG 4.06Å
149E97.3Very high96.1Very high9 Ų918 Ų184%0.04210%0.101CC..Hα-helixtrans-68.3-27.8178.3-66.1-57141.500112.7H58 S59 L146 F147 N151 S152 V153H58-E149 IonicContact CD2-OE2 3.85Å; S59-E149 WeakPolarHBondContact CA-OE2 3.3Å; S59-E149 VanDerWaalsContact CB-OE2 3.25Å; S59-E149 WeakPolarHBondContact CB-OE2 3.5Å; S59-E149 PolarHBondContact OG-OE2 3.18Å; L146-E149 HydrophobicContact CD2-CG 3.95Å; L146-E149 VanDerWaalsContact O-CB 3.25Å; L146-E149 WeakPolarHBondContact O-CB 3.31Å; L146-E149 WeakPolarHBondContact O-CG 3.45Å; L146-E149 PolarHBondContact O-N 3.2Å; F147-E149 PolarHBondContact O-N 3.43Å; F147-E149 VanDerWaalsContact O-N 3.08Å; E149-N151 VanDerWaalsContact C-N 3.27Å; E149-N151 PolarHBondContact O-N 2.78Å; E149-S152 WeakPolarHBondContact O-CA 3.35Å; E149-S152 WeakPolarHBondContact O-CB 3.43Å; E149-S152 PolarHBondContact O-N 3.26Å; E149-S152 VanDerWaalsContact OE2-CB 3.28Å; E149-S152 WeakPolarHBondContact OE2-CB 3.42Å; E149-S152 PolarHBondContact OE2-OG 3.31Å; E149-V153 WeakPolarHBondContact O-CG2 3.31Å; E149-V153 PolarHBondContact O-N 3.42Å
150V97Very high95.8Very high26 Ų2619.2 Ų19.216%0.15811%0.107CC..Hα-helixtrans-60.8-41.1172.4-177.40000110.3M67 F147 V148 F186M67-V150 HydrophobicContact CG-CG2 4.1Å; M67-V150 HydrophobicContact SD-CG1 4.47Å; M67-V150 HydrophobicContact SD-CG2 3.77Å; F147-V150 WeakPolarHBondContact O-CB 3.46Å; F147-V150 PolarHBondContact O-N 2.89Å; V148-V150 VanDerWaalsContact C-N 3.29Å; V148-V150 PolarHBondContact O-N 2.93Å; V150-F186 HydrophobicContact CB-CB 4.15Å; V150-F186 HydrophobicContact CB-CD1 3.94Å; V150-F186 HydrophobicContact CB-CD2 4.14Å; V150-F186 HydrophobicContact CB-CE1 4.37Å; V150-F186 HydrophobicContact CB-CG 3.82Å; V150-F186 HydrophobicContact CG1-CD1 4.11Å; V150-F186 HydrophobicContact CG1-CD2 3.68Å; V150-F186 HydrophobicContact CG1-CE1 4.16Å; V150-F186 HydrophobicContact CG1-CE2 3.74Å; V150-F186 HydrophobicContact CG1-CG 3.88Å; V150-F186 HydrophobicContact CG1-CZ 3.98Å; V150-F186 HydrophobicContact CG2-CD1 3.98Å; V150-F186 HydrophobicContact CG2-CE1 4.19Å; V150-F186 HydrophobicContact CG2-CG 4.37Å
151N97Very high95.5Very high0 Ų020.4 Ų20.40%011%0.113CC..Hα-helixtrans-70.3-39.7171.1175.7-118.5000111.9V148 E149 V153 T154 L155 N179 T182 Y183 R187V148-N151 PolarHBondContact O-N 3.09Å; E149-N151 VanDerWaalsContact C-N 3.27Å; E149-N151 PolarHBondContact O-N 2.78Å; N151-V153 PolarHBondContact O-N 2.87Å; N151-T154 PolarHBondContact ND2-OG1 3.42Å; N151-T154 PolarHBondContact O-N 3.31Å; N151-T154 PolarHBondContact O-OG1 3.46Å; N151-L155 PolarHBondContact O-N 3.49Å; N151-N179 PolarHBondContact ND2-O 2.95Å; N151-N179 VanDerWaalsContact ND2-O 3.08Å; N151-N179 PolarHBondContact ND2-OD1 3.22Å; N151-T182 PolarHBondContact ND2-OG1 3.22Å; N151-Y183 WeakPolarHBondContact ND2-CA 3.3Å; N151-Y183 PolarHBondContact ND2-N 3.27Å; N151-Y183 VanDerWaalsContact ND2-N 3.13Å; N151-Y183 WeakPolarHBondContact OD1-CD2 3.43Å; N151-R187 HydrophobicContact CB-CB 4.25Å; N151-R187 PolarHBondContact OD1-NE 3.04Å; N151-R187 PolarHBondContact OD1-NH1 3.16Å
152S95.7Very high95.1Very high7 Ų724.7 Ų24.75%0.04913%0.129CC..Hα-helixtrans-53.7-36.9178-59.70000112.8S59 V148 E149 T154 L155 H156 R187S59-S152 VanDerWaalsContact OG-CB 3.24Å; S59-S152 WeakPolarHBondContact OG-CB 3.4Å; V148-S152 PolarHBondContact O-N 3.44Å; V148-S152 PolarHBondContact O-OG 3.21Å; E149-S152 WeakPolarHBondContact O-CA 3.35Å; E149-S152 WeakPolarHBondContact O-CB 3.43Å; E149-S152 PolarHBondContact O-N 3.26Å; E149-S152 VanDerWaalsContact OE2-CB 3.28Å; E149-S152 WeakPolarHBondContact OE2-CB 3.42Å; E149-S152 PolarHBondContact OE2-OG 3.31Å; S152-T154 PolarHBondContact O-N 3.38Å; S152-L155 PolarHBondContact O-N 2.97Å; S152-H156 WeakPolarHBondContact O-CB 3.44Å; S152-H156 PolarHBondContact O-CD2 2.87Å; S152-H156 PolarHBondContact O-N 2.97Å; S152-R187 PolarHBondContact OG-NH2 2.96Å
153V96.7Very high94.7Very high27 Ų2725.3 Ų25.316%0.16413%0.132CC..Hα-helixtrans-53-53.6173.5175.10000111.5M56 L60 E149 N151 L155 H156 L157M56-V153 HydrophobicContact CE-CG1 3.56Å; M56-V153 HydrophobicContact SD-CG1 4.08Å; M56-V153 VanDerWaalsContact SD-O 3.38Å; L60-V153 HydrophobicContact CD2-CB 4.5Å; L60-V153 HydrophobicContact CD2-CG1 3.68Å; L60-V153 HydrophobicContact CD2-CG2 3.9Å; L60-V153 HydrophobicContact CG-CG1 4.22Å; L60-V153 HydrophobicContact CG-CG2 4.02Å; E149-V153 WeakPolarHBondContact O-CG2 3.31Å; E149-V153 PolarHBondContact O-N 3.42Å; N151-V153 PolarHBondContact O-N 2.87Å; V153-L155 VanDerWaalsContact C-N 3.31Å; V153-L155 PolarHBondContact O-N 3.03Å; V153-H156 PolarHBondContact O-N 3.32Å; V153-L157 WeakPolarHBondContact O-CB 3.26Å; V153-L157 PolarHBondContact O-N 3.45Å
154T95.5Very high94.2Very high9 Ų925.9 Ų25.96%0.05514%0.136CC..Hα-helixtrans-69.4-32-178.664.70000112.1N151 S152 R158 N175 L178 N179 T182N151-T154 PolarHBondContact ND2-OG1 3.42Å; N151-T154 PolarHBondContact O-N 3.31Å; N151-T154 PolarHBondContact O-OG1 3.46Å; S152-T154 PolarHBondContact O-N 3.38Å; T154-R158 WeakPolarHBondContact O-CB 3.41Å; T154-R158 PolarHBondContact O-N 3.28Å; T154-N175 PolarHBondContact O-ND2 2.96Å; T154-N175 PolarHBondContact O-OD1 2.85Å; T154-L178 HydrophobicContact CG2-CD2 3.83Å; T154-L178 HydrophobicContact CG2-CG 3.83Å; T154-N179 VanDerWaalsContact OG1-CA 3.3Å; T154-N179 WeakPolarHBondContact OG1-CA 3.45Å; T154-N179 PolarHBondContact OG1-OD1 2.88Å; T154-T182 HydrophobicContact CG2-CG2 4.17Å; T154-T182 PolarHBondContact OG1-OG1 3.33Å; T154-T182 VanDerWaalsContact OG1-OG1 3.06Å
155L94.6Very high93.7Very high40 Ų4028.8 Ų28.821%0.20916%0.157CC..Hα-helixtrans-69.2-45.3176.6-176.668.6000111.5N151 S152 V153 R158 L159 N179N151-L155 PolarHBondContact O-N 3.49Å; S152-L155 PolarHBondContact O-N 2.97Å; V153-L155 VanDerWaalsContact C-N 3.31Å; V153-L155 PolarHBondContact O-N 3.03Å; L155-R158 WeakPolarHBondContact O-CB 3.37Å; L155-R158 PolarHBondContact O-N 3.4Å; L155-L159 HydrophobicContact CD1-CD1 4.38Å; L155-L159 PolarHBondContact O-N 3.36Å; L155-N179 WeakPolarHBondContact CA-OD1 3.48Å; L155-N179 WeakPolarHBondContact CB-OD1 3.38Å; L155-N179 PolarHBondContact N-OD1 3.3Å
156H94.4Very high93.2Very high29 Ų2932.2 Ų32.213%0.13417%0.169CC..Hα-helixtrans-64.3-45.3177.4-68.7-40.8000110.5L52 S55 M56 S59 S152 V153 R158 L159 M160L52-H156 HydrophobicContact CD1-CB 3.93Å; L52-H156 WeakPolarHBondContact CD1-ND1 3.07Å; L52-H156 HydrophobicContact CG-CB 4.29Å; S55-H156 WeakPolarHBondContact CB-NE2 3.47Å; M56-H156 HydrophobicContact CB-CB 4.34Å; M56-H156 HydrophobicContact SD-CB 3.82Å; S59-H156 PolarHBondContact OG-CD2 2.9Å; S59-H156 PolarHBondContact OG-NE2 3.43Å; S152-H156 WeakPolarHBondContact O-CB 3.44Å; S152-H156 PolarHBondContact O-CD2 2.87Å; S152-H156 PolarHBondContact O-N 2.97Å; V153-H156 PolarHBondContact O-N 3.32Å; H156-R158 VanDerWaalsContact C-N 3.28Å; H156-R158 PolarHBondContact O-N 3.49Å; H156-L159 PolarHBondContact O-N 3.26Å; H156-L159 VanDerWaalsContact O-N 3.13Å; H156-M160 WeakPolarHBondContact O-CG 3.37Å; H156-M160 PolarHBondContact O-N 2.92Å
157L93.1Very high92.6Very high67 Ų6736.4 Ų36.435%0.35119%0.188SC..Hα-helixtrans-56.9-42.4173-178.357.1000111.9M56 V153 L159 M160 L161M56-L157 HydrophobicContact CE-CB 4.25Å; V153-L157 WeakPolarHBondContact O-CB 3.26Å; V153-L157 PolarHBondContact O-N 3.45Å; L157-L159 PolarHBondContact O-N 3.43Å; L157-M160 PolarHBondContact O-N 3.41Å; L157-L161 HydrophobicContact CD1-CD1 4.25Å; L157-L161 HydrophobicContact CD1-CG 4.26Å; L157-L161 HydrophobicContact CG-CD1 4.15Å; L157-L161 WeakPolarHBondContact O-CB 3.46Å; L157-L161 VanDerWaalsContact O-CG 3.3Å; L157-L161 WeakPolarHBondContact O-CG 3.5Å; L157-L161 PolarHBondContact O-N 2.93Å
158R93.4Very high91.9Very high14 Ų1439.9 Ų39.95%0.05322%0.218CC..Hα-helixtrans-59.4-46.9175.9-170177.7157.9-76.9-0.7111.5T154 L155 H156 L161 K162 Y172 N175 D233T154-R158 WeakPolarHBondContact O-CB 3.41Å; T154-R158 PolarHBondContact O-N 3.28Å; L155-R158 WeakPolarHBondContact O-CB 3.37Å; L155-R158 PolarHBondContact O-N 3.4Å; H156-R158 VanDerWaalsContact C-N 3.28Å; H156-R158 PolarHBondContact O-N 3.49Å; R158-L161 PolarHBondContact O-N 3.29Å; R158-K162 WeakPolarHBondContact O-CB 3.21Å; R158-K162 PolarHBondContact O-N 3.36Å; R158-Y172 HydrophobicContact CG-CE2 3.81Å; R158-N175 VanDerWaalsContact CA-ND2 3.33Å; R158-N175 WeakPolarHBondContact CA-ND2 3.43Å; R158-N175 VanDerWaalsContact CB-ND2 3.28Å; R158-N175 WeakPolarHBondContact CB-ND2 3.32Å; R158-N175 PolarHBondContact N-ND2 3.48Å; R158-N175 VanDerWaalsContact N-ND2 3.18Å; R158-D233 IonicContact CZ-OD1 2.83Å; R158-D233 IonicContact CZ-OD2 3.47Å; R158-D233 IonicContact NE-OD1 3.13Å; R158-D233 PolarHBondContact NE-OD1 2.94Å; R158-D233 IonicContact NE-OD2 3.33Å; R158-D233 PolarHBondContact NE-OD2 3.26Å; R158-D233 VanDerWaalsContact NH2-CG 3.3Å; R158-D233 IonicContact NH2-OD1 3.97Å; R158-D233 PolarHBondContact NH2-OD1 2.92Å; R158-D233 IonicContact NH2-OD2 3.91Å; R158-D233 PolarHBondContact NH2-OD2 3.2Å
159L91.5Very high91.6Very high46 Ų4640 Ų4024%0.24122%0.219CC..Hα-helixtrans-66.5-40.8179.9-100.561.6000111.5L52 L155 H156 L157 K162 L163L52-L159 HydrophobicContact CD1-CB 4.37Å; L52-L159 HydrophobicContact CD1-CD2 4.34Å; L52-L159 HydrophobicContact CD2-CB 3.5Å; L155-L159 HydrophobicContact CD1-CD1 4.38Å; L155-L159 PolarHBondContact O-N 3.36Å; H156-L159 PolarHBondContact O-N 3.26Å; H156-L159 VanDerWaalsContact O-N 3.13Å; L157-L159 PolarHBondContact O-N 3.43Å; L159-K162 PolarHBondContact O-N 2.87Å; L159-L163 WeakPolarHBondContact O-CG 3.46Å; L159-L163 PolarHBondContact O-N 2.64Å
160M91Very high91.2Very high27 Ų2744.2 Ų44.213%0.13325%0.247CC..Hα-helixtrans-60.2-48.8175.2-70.2-17782.900110.6W49 L52 S53 H156 L157 K162 L163 A164W49-M160 HydrophobicContact CD2-CE 3.99Å; W49-M160 HydrophobicContact CE3-CB 4.29Å; W49-M160 HydrophobicContact CE3-CE 4.17Å; W49-M160 HydrophobicContact CE3-CG 4.44Å; W49-M160 HydrophobicContact CH2-CB 4.24Å; W49-M160 HydrophobicContact CH2-CE 3.65Å; W49-M160 HydrophobicContact CZ2-CE 3.42Å; W49-M160 VanDerWaalsContact CZ2-CE 3.42Å; W49-M160 HydrophobicContact CZ3-CB 3.78Å; W49-M160 HydrophobicContact CZ3-CE 4.02Å; W49-M160 HydrophobicContact CZ3-CG 4.32Å; W49-M160 WeakPolarHBondContact CZ3-O 3.2Å; L52-M160 HydrophobicContact CB-CG 4.44Å; L52-M160 HydrophobicContact CD2-CB 4.23Å; L52-M160 HydrophobicContact CD2-CG 3.32Å; L52-M160 HydrophobicContact CG-CG 3.76Å; S53-M160 WeakPolarHBondContact OG-CE 3.03Å; H156-M160 WeakPolarHBondContact O-CG 3.37Å; H156-M160 PolarHBondContact O-N 2.92Å; L157-M160 PolarHBondContact O-N 3.41Å; M160-K162 VanDerWaalsContact C-N 3.28Å; M160-K162 PolarHBondContact O-N 2.96Å; M160-L163 WeakPolarHBondContact O-CB 3.3Å; M160-L163 PolarHBondContact O-N 3.25Å; M160-L163 VanDerWaalsContact O-N 3.11Å; M160-A164 PolarHBondContact O-N 2.92Å
161L90.1Very high90.9Very high24 Ų2448.7 Ų48.713%0.12627%0.27CS..Hα-helixtrans-60.7-37.3176.9-69.9170.6000112.4L157 R158 A164 S165 Q166 Y172L157-L161 HydrophobicContact CD1-CD1 4.25Å; L157-L161 HydrophobicContact CD1-CG 4.26Å; L157-L161 HydrophobicContact CG-CD1 4.15Å; L157-L161 WeakPolarHBondContact O-CB 3.46Å; L157-L161 VanDerWaalsContact O-CG 3.3Å; L157-L161 WeakPolarHBondContact O-CG 3.5Å; L157-L161 PolarHBondContact O-N 2.93Å; R158-L161 PolarHBondContact O-N 3.29Å; L161-A164 PolarHBondContact O-N 3.35Å; L161-S165 PolarHBondContact O-N 3.48Å; L161-Q166 HydrophobicContact CD2-CB 4.16Å; L161-Q166 PolarHBondContact O-N 3.41Å; L161-Y172 HydrophobicContact CB-CD2 3.91Å; L161-Y172 HydrophobicContact CD1-CD2 4.42Å
162K89Confident90.7Very high98 Ų9849.3 Ų49.343%0.42627%0.272SS..Hα-helixtrans-66.7-40.9174.2-171.8174.3179.7-176.40111.9R158 L159 M160 A164 S165 Q167R158-K162 WeakPolarHBondContact O-CB 3.21Å; R158-K162 PolarHBondContact O-N 3.36Å; L159-K162 PolarHBondContact O-N 2.87Å; M160-K162 VanDerWaalsContact C-N 3.28Å; M160-K162 PolarHBondContact O-N 2.96Å; K162-A164 VanDerWaalsContact C-N 3.31Å; K162-A164 PolarHBondContact O-N 3.03Å; K162-S165 PolarHBondContact O-N 3.24Å; K162-S165 VanDerWaalsContact O-N 3.15Å; K162-Q167 HydrophobicContact CG-CG 4.36Å
163L87.6Confident90.4Very high21 Ų2152.8 Ų52.811%0.1129%0.288CS..Hα-helixtrans-64.6-36174.6-72.3173.8000111.9V39 R45 K48 W49 L52 L159 M160 S165V39-L163 HydrophobicContact CG2-CB 4.29Å; V39-L163 WeakPolarHBondContact CG2-O 3.49Å; R45-L163 HydrophobicContact CG-CD2 4.16Å; R45-L163 PolarHBondContact NH2-O 3.15Å; K48-L163 HydrophobicContact CB-CD1 4.38Å; K48-L163 HydrophobicContact CD-CD1 4.39Å; K48-L163 HydrophobicContact CD-CD2 4.39Å; K48-L163 HydrophobicContact CG-CD1 4.08Å; W49-L163 HydrophobicContact CE3-CB 4.27Å; L52-L163 HydrophobicContact CD2-CD1 4.14Å; L159-L163 WeakPolarHBondContact O-CG 3.46Å; L159-L163 PolarHBondContact O-N 2.64Å; M160-L163 WeakPolarHBondContact O-CB 3.3Å; M160-L163 PolarHBondContact O-N 3.25Å; M160-L163 VanDerWaalsContact O-N 3.11Å; L163-S165 PolarHBondContact O-N 2.88Å
164A87.2Confident90.3Very high12 Ų1256.9 Ų56.910%0.09931%0.308CS..THydrogen-bonded Turntrans-78.45174.900000114.1W49 M160 L161 K162 Q166W49-A164 HydrophobicContact CZ3-CB 4.15Å; M160-A164 PolarHBondContact O-N 2.92Å; L161-A164 PolarHBondContact O-N 3.35Å; K162-A164 VanDerWaalsContact C-N 3.31Å; K162-A164 PolarHBondContact O-N 3.03Å; A164-Q166 HydrophobicContact CB-CG 4.03Å; A164-Q166 PolarHBondContact O-N 3.17Å
165S86.7Confident90.2Very high68 Ų6856.8 Ų56.848%0.47631%0.306SS..THydrogen-bonded Turntrans57.830.7-176.9-550000114L161 K162 L163L161-S165 PolarHBondContact O-N 3.48Å; K162-S165 PolarHBondContact O-N 3.24Å; K162-S165 VanDerWaalsContact O-N 3.15Å; L163-S165 PolarHBondContact O-N 2.88Å
166Q87.1Confident90.1Very high95 Ų9556 Ų5644%0.44430%0.302SS..  trans-98.332.3-176.7-67.4-60.1-5700113.5L161 A164 S168 S169 Y172L161-Q166 HydrophobicContact CD2-CB 4.16Å; L161-Q166 PolarHBondContact O-N 3.41Å; A164-Q166 HydrophobicContact CB-CG 4.03Å; A164-Q166 PolarHBondContact O-N 3.17Å; Q166-S168 VanDerWaalsContact C-N 3.29Å; Q166-S168 PolarHBondContact O-N 2.73Å; Q166-S169 WeakPolarHBondContact O-CB 3.39Å; Q166-S169 PolarHBondContact O-N 2.88Å; Q166-S169 VanDerWaalsContact O-N 3.14Å; Q166-S169 PolarHBondContact O-OG 3.49Å; Q166-Y172 WeakPolarHBondContact O-CB 3.25Å
167Q85.1Confident90Very high91 Ų9160.4 Ų60.443%0.42532%0.32SS..THydrogen-bonded Turntrans-69.7-23.2-173.6-61.1178.2-73.100113.9K162 S169 Y172 Q173K162-Q167 HydrophobicContact CG-CG 4.36Å; Q167-S169 VanDerWaalsContact C-N 3.33Å; Q167-Y172 HydrophobicContact CB-CD1 4.37Å; Q167-Y172 HydrophobicContact CB-CE1 4.34Å; Q167-Y172 HydrophobicContact CG-CE2 4.24Å; Q167-Y172 WeakPolarHBondContact O-CD1 3.42Å; Q167-Q173 PolarHBondContact O-NE2 3.13Å
168S84.1Confident90.1Very high113 Ų11361.2 Ų61.279%0.7933%0.325SS*.THydrogen-bonded Turntrans-83.5-8.4174.852.50000113.4Q166Q166-S168 VanDerWaalsContact C-N 3.29Å; Q166-S168 PolarHBondContact O-N 2.73Å
169S89.4Confident90.2Very high16 Ų1660.5 Ų60.511%0.11232%0.322CS..SBendtrans-69.4146.7-177.470.20000111.7Q166 Q167 L171 Y172 Q173Q166-S169 WeakPolarHBondContact O-CB 3.39Å; Q166-S169 PolarHBondContact O-N 2.88Å; Q166-S169 VanDerWaalsContact O-N 3.14Å; Q166-S169 PolarHBondContact O-OG 3.49Å; Q167-S169 VanDerWaalsContact C-N 3.33Å; S169-L171 PolarHBondContact O-N 3.05Å; S169-Y172 WeakPolarHBondContact O-CB 3.47Å; S169-Y172 PolarHBondContact O-N 3.48Å; S169-Y172 VanDerWaalsContact O-N 3.07Å; S169-Y172 WeakPolarHBondContact OG-CB 3.23Å; S169-Y172 PolarHBondContact OG-N 3.24Å; S169-Y172 VanDerWaalsContact OG-N 3.16Å; S169-Q173 PolarHBondContact O-N 3.11Å
170P89.4Confident90.4Very high99 Ų9960.2 Ų60.264%0.64332%0.32SS*.Hα-helixtrans-60-32.1174.121-30000112Y172 Q173 I174P170-Y172 VanDerWaalsContact C-N 3.34Å; P170-Y172 PolarHBondContact O-N 3.04Å; P170-Q173 PolarHBondContact O-N 3.36Å; P170-I174 WeakPolarHBondContact O-CG1 3.29Å; P170-I174 PolarHBondContact O-N 3.33Å
171L91.3Very high90.6Very high119 Ų11964.7 Ų64.762%0.62334%0.339SS*.Hα-helixtrans-59.4-42.8173.6-67.8177.6000112.1S169 N175S169-L171 PolarHBondContact O-N 3.05Å; L171-N175 WeakPolarHBondContact O-CB 3.44Å; L171-N175 PolarHBondContact O-N 2.89Å
172Y91.4Very high90.9Very high14 Ų1464 Ų646%0.05534%0.336CS..Hα-helixtrans-64.8-41.4176-178.8-90.6000111.8R158 L161 Q166 Q167 S169 P170 N175 K176 D233R158-Y172 HydrophobicContact CG-CE2 3.81Å; L161-Y172 HydrophobicContact CB-CD2 3.91Å; L161-Y172 HydrophobicContact CD1-CD2 4.42Å; Q166-Y172 WeakPolarHBondContact O-CB 3.25Å; Q167-Y172 HydrophobicContact CB-CD1 4.37Å; Q167-Y172 HydrophobicContact CB-CE1 4.34Å; Q167-Y172 HydrophobicContact CG-CE2 4.24Å; Q167-Y172 WeakPolarHBondContact O-CD1 3.42Å; S169-Y172 WeakPolarHBondContact O-CB 3.47Å; S169-Y172 PolarHBondContact O-N 3.48Å; S169-Y172 VanDerWaalsContact O-N 3.07Å; S169-Y172 WeakPolarHBondContact OG-CB 3.23Å; S169-Y172 PolarHBondContact OG-N 3.24Å; S169-Y172 VanDerWaalsContact OG-N 3.16Å; P170-Y172 VanDerWaalsContact C-N 3.34Å; P170-Y172 PolarHBondContact O-N 3.04Å; Y172-N175 PolarHBondContact O-N 3.27Å; Y172-K176 WeakPolarHBondContact O-CB 3.24Å; Y172-K176 PolarHBondContact O-N 2.81Å; Y172-D233 PolarHBondContact OH-OD1 3.48Å
173Q90.6Very high91.3Very high79 Ų7959.5 Ų59.537%0.36932%0.317SS..Hα-helixtrans-64.9-46.8179.7-62.6-58.3-3000111.9Q167 S169 P170 N175 K176 F177Q167-Q173 PolarHBondContact O-NE2 3.13Å; S169-Q173 PolarHBondContact O-N 3.11Å; P170-Q173 PolarHBondContact O-N 3.36Å; Q173-N175 PolarHBondContact O-N 2.92Å; Q173-K176 WeakPolarHBondContact O-CB 3.12Å; Q173-K176 PolarHBondContact O-N 3.06Å; Q173-F177 WeakPolarHBondContact O-CD2 3.28Å; Q173-F177 PolarHBondContact O-N 2.98Å
174I93.6Very high91.6Very high114 Ų11462.3 Ų62.359%0.58533%0.331SS*.Hα-helixtrans-60.8-47.8175.8-66.5166.6000110.1P170 K176 F177 L178P170-I174 WeakPolarHBondContact O-CG1 3.29Å; P170-I174 PolarHBondContact O-N 3.33Å; I174-K176 VanDerWaalsContact C-N 3.27Å; I174-K176 PolarHBondContact O-N 3.3Å; I174-F177 PolarHBondContact O-N 3.48Å; I174-L178 PolarHBondContact O-N 3.02Å
175N94.1Very high92.1Very high6 Ų664.6 Ų64.63%0.03234%0.343CS..Hα-helixtrans-64.6-30.9-178.5-173.970.2000112.6T154 R158 L171 Y172 Q173 L178 N179T154-N175 PolarHBondContact O-ND2 2.96Å; T154-N175 PolarHBondContact O-OD1 2.85Å; R158-N175 VanDerWaalsContact CA-ND2 3.33Å; R158-N175 WeakPolarHBondContact CA-ND2 3.43Å; R158-N175 VanDerWaalsContact CB-ND2 3.28Å; R158-N175 WeakPolarHBondContact CB-ND2 3.32Å; R158-N175 PolarHBondContact N-ND2 3.48Å; R158-N175 VanDerWaalsContact N-ND2 3.18Å; L171-N175 WeakPolarHBondContact O-CB 3.44Å; L171-N175 PolarHBondContact O-N 2.89Å; Y172-N175 PolarHBondContact O-N 3.27Å; Q173-N175 PolarHBondContact O-N 2.92Å; N175-L178 PolarHBondContact O-N 2.9Å; N175-N179 WeakPolarHBondContact O-CB 3.41Å; N175-N179 PolarHBondContact O-N 2.89Å
176K92.2Very high92.6Very high25 Ų2563.3 Ų63.311%0.10933%0.329CS..Hα-helixtrans-59-47.9173168.8-179.2152.9179.60111.6Y172 Q173 I174 L180 D233 F234Y172-K176 WeakPolarHBondContact O-CB 3.24Å; Y172-K176 PolarHBondContact O-N 2.81Å; Q173-K176 WeakPolarHBondContact O-CB 3.12Å; Q173-K176 PolarHBondContact O-N 3.06Å; I174-K176 VanDerWaalsContact C-N 3.27Å; I174-K176 PolarHBondContact O-N 3.3Å; K176-L180 PolarHBondContact O-N 3.07Å; K176-L180 VanDerWaalsContact O-N 3.09Å; K176-D233 HydrophobicContact CD-CB 3.84Å; K176-D233 HydrophobicContact CG-CB 4.17Å; K176-D233 PolarHBondContact NZ-O 3.21Å; K176-F234 VanDerWaalsContact CE-CZ 3.49Å
177F92.4Very high93Very high120 Ų12060.1 Ų60.153%0.52631%0.313SS..Hα-helixtrans-69.1-42.1177.9-70-73.8000112Q173 I174 N179 L180 F181 F234Q173-F177 WeakPolarHBondContact O-CD2 3.28Å; Q173-F177 PolarHBondContact O-N 2.98Å; I174-F177 PolarHBondContact O-N 3.48Å; F177-N179 VanDerWaalsContact C-N 3.31Å; F177-N179 PolarHBondContact O-N 3.25Å; F177-L180 PolarHBondContact O-N 3.49Å; F177-F181 PolarHBondContact O-N 3.4Å; F177-F234 HydrophobicContact CE1-CE1 4.26Å
178L94.8Very high93.5Very high84 Ų8458.2 Ų58.244%0.4431%0.305SS..Hα-helixtrans-62-40.1176.5-173.264.5000111.9T154 I174 N175 F181 T182T154-L178 HydrophobicContact CG2-CD2 3.83Å; T154-L178 HydrophobicContact CG2-CG 3.83Å; I174-L178 PolarHBondContact O-N 3.02Å; N175-L178 PolarHBondContact O-N 2.9Å; L178-F181 PolarHBondContact O-N 3.08Å; L178-T182 HydrophobicContact CD1-CG2 4.31Å; L178-T182 HydrophobicContact CG-CG2 4.43Å; L178-T182 WeakPolarHBondContact O-CB 3.31Å; L178-T182 WeakPolarHBondContact O-CG2 3.46Å; L178-T182 PolarHBondContact O-N 2.94Å; L178-T182 PolarHBondContact O-OG1 3.08Å
179N95.4Very high94.1Very high0 Ų055.8 Ų55.80%029%0.288CS..Hα-helixtrans-63.9-42.8174.9176.675.9000111.3N151 T154 L155 N175 F177 T182 Y183 L229N151-N179 PolarHBondContact ND2-O 2.95Å; N151-N179 VanDerWaalsContact ND2-O 3.08Å; N151-N179 PolarHBondContact ND2-OD1 3.22Å; T154-N179 VanDerWaalsContact OG1-CA 3.3Å; T154-N179 WeakPolarHBondContact OG1-CA 3.45Å; T154-N179 PolarHBondContact OG1-OD1 2.88Å; L155-N179 WeakPolarHBondContact CA-OD1 3.48Å; L155-N179 WeakPolarHBondContact CB-OD1 3.38Å; L155-N179 PolarHBondContact N-OD1 3.3Å; N175-N179 WeakPolarHBondContact O-CB 3.41Å; N175-N179 PolarHBondContact O-N 2.89Å; F177-N179 VanDerWaalsContact C-N 3.31Å; F177-N179 PolarHBondContact O-N 3.25Å; N179-T182 PolarHBondContact O-OG1 3.2Å; N179-Y183 WeakPolarHBondContact O-CB 3.26Å; N179-Y183 PolarHBondContact O-N 3.34Å; N179-L229 VanDerWaalsContact ND2-CD2 3.27Å; N179-L229 WeakPolarHBondContact ND2-CD2 3.26Å
180L94.9Very high94.4Very high39 Ų3955.3 Ų55.320%0.20429%0.285CS..Hα-helixtrans-61.8-46.2175.2179.760.9000111.9K176 F177 Y183 I184 F226 L230 F234K176-L180 PolarHBondContact O-N 3.07Å; K176-L180 VanDerWaalsContact O-N 3.09Å; F177-L180 PolarHBondContact O-N 3.49Å; L180-Y183 WeakPolarHBondContact O-CB 3.27Å; L180-Y183 PolarHBondContact O-N 3.33Å; L180-I184 HydrophobicContact CD1-CD1 4.25Å; L180-I184 HydrophobicContact CG-CD1 4.41Å; L180-I184 PolarHBondContact O-N 3.12Å; L180-F226 HydrophobicContact CD1-CE2 3.71Å; L180-F226 HydrophobicContact CD1-CZ 4.17Å; L180-L230 HydrophobicContact CD1-CD2 4.01Å; L180-F234 HydrophobicContact CD2-CE2 3.96Å; L180-F234 HydrophobicContact CD2-CZ 3.79Å
181F95.9Very high94.7Very high122 Ų12251.1 Ų51.154%0.53526%0.257SS..Hα-helixtrans-60.5-53.7179.1173.3-101.6000111.8F177 L178 Y183 I184 V185F177-F181 PolarHBondContact O-N 3.4Å; L178-F181 PolarHBondContact O-N 3.08Å; F181-Y183 PolarHBondContact O-N 3.46Å; F181-I184 PolarHBondContact O-N 3.05Å; F181-V185 HydrophobicContact CD2-CG2 4.11Å; F181-V185 HydrophobicContact CE1-CG2 4.19Å; F181-V185 HydrophobicContact CE2-CG2 3.7Å; F181-V185 HydrophobicContact CZ-CG2 3.75Å; F181-V185 WeakPolarHBondContact O-CG2 3.41Å; F181-V185 PolarHBondContact O-N 3.39Å
182T96.4Very high95Very high9 Ų952.8 Ų52.86%0.05526%0.26CS..Hα-helixtrans-64.1-30.9179.9550000112.1N151 T154 L178 N179 F186N151-T182 PolarHBondContact ND2-OG1 3.22Å; T154-T182 HydrophobicContact CG2-CG2 4.17Å; T154-T182 PolarHBondContact OG1-OG1 3.33Å; T154-T182 VanDerWaalsContact OG1-OG1 3.06Å; L178-T182 HydrophobicContact CD1-CG2 4.31Å; L178-T182 HydrophobicContact CG-CG2 4.43Å; L178-T182 WeakPolarHBondContact O-CB 3.31Å; L178-T182 WeakPolarHBondContact O-CG2 3.46Å; L178-T182 PolarHBondContact O-N 2.94Å; L178-T182 PolarHBondContact O-OG1 3.08Å; N179-T182 PolarHBondContact O-OG1 3.2Å; T182-F186 HydrophobicContact CG2-CD2 4.34Å; T182-F186 WeakPolarHBondContact O-CB 3.09Å; T182-F186 PolarHBondContact O-N 3.03Å
183Y96.5Very high95.3Very high4 Ų455.5 Ų55.52%0.01627%0.271CS..Iπ-helixtrans-61.7-46.2175.4-165-74.9000111.3N151 N179 L180 F181 R187 L188 I222 F226 L229N151-Y183 WeakPolarHBondContact ND2-CA 3.3Å; N151-Y183 PolarHBondContact ND2-N 3.27Å; N151-Y183 VanDerWaalsContact ND2-N 3.13Å; N151-Y183 WeakPolarHBondContact OD1-CD2 3.43Å; N179-Y183 WeakPolarHBondContact O-CB 3.26Å; N179-Y183 PolarHBondContact O-N 3.34Å; L180-Y183 WeakPolarHBondContact O-CB 3.27Å; L180-Y183 PolarHBondContact O-N 3.33Å; F181-Y183 PolarHBondContact O-N 3.46Å; Y183-R187 WeakPolarHBondContact O-CA 3.35Å; Y183-R187 VanDerWaalsContact O-CB 3.25Å; Y183-R187 WeakPolarHBondContact O-CB 3.45Å; Y183-R187 PolarHBondContact O-N 3.2Å; Y183-R187 VanDerWaalsContact O-N 3.15Å; Y183-L188 HydrophobicContact CD1-CD1 4.23Å; Y183-L188 HydrophobicContact CD1-CG 3.97Å; Y183-L188 HydrophobicContact CE1-CD1 4.28Å; Y183-L188 HydrophobicContact CE1-CD2 3.91Å; Y183-L188 HydrophobicContact CE1-CG 3.88Å; Y183-L188 PolarHBondContact O-N 3.05Å; Y183-I222 HydrophobicContact CE1-CG2 4.17Å; Y183-I222 VanDerWaalsContact OH-CG2 3.22Å; Y183-I222 WeakPolarHBondContact OH-CG2 3.37Å; Y183-I222 PolarHBondContact OH-O 3.16Å; Y183-F226 AromaticContact CD1-CD2 3.41Å; Y183-F226 HydrophobicContact CD1-CD2 3.41Å; Y183-F226 VanDerWaalsContact CD1-CD2 3.41Å; Y183-F226 AromaticContact CD1-CE2 3.79Å; Y183-F226 HydrophobicContact CD1-CE2 3.79Å; Y183-F226 HydrophobicContact CD1-CG 4.21Å; Y183-F226 HydrophobicContact CE1-CB 3.67Å; Y183-F226 AromaticContact CE1-CD2 3.3Å; Y183-F226 HydrophobicContact CE1-CD2 3.3Å; Y183-F226 HydrophobicContact CE1-CE2 4.12Å; Y183-F226 AromaticContact CE1-CG 3.68Å; Y183-F226 HydrophobicContact CE1-CG 3.68Å; Y183-F226 HydrophobicContact CE2-CD2 4.47Å; Y183-F226 HydrophobicContact CG-CD2 4.09Å; Y183-F226 HydrophobicContact CG-CE2 4.43Å; Y183-F226 AromaticContact CZ-CD2 3.88Å; Y183-F226 WeakPolarHBondContact OH-CB 3.48Å; Y183-F226 PolarHBondContact OH-N 3.01Å; Y183-L229 HydrophobicContact CD2-CD2 4.27Å
184I95.8Very high95.6Very high80 Ų8052.2 Ų52.241%0.4126%0.256SS..Iπ-helixtrans-68.2-51.5178.8-63.7168.1000109.7L180 F181 L188 S189L180-I184 HydrophobicContact CD1-CD1 4.25Å; L180-I184 HydrophobicContact CG-CD1 4.41Å; L180-I184 PolarHBondContact O-N 3.12Å; F181-I184 PolarHBondContact O-N 3.05Å; I184-L188 HydrophobicContact CG1-CD1 4.37Å; I184-S189 PolarHBondContact O-N 3.47Å; I184-S189 PolarHBondContact O-OG 3.5Å; I184-S189 VanDerWaalsContact O-OG 3.08Å
185V96.8Very high95.7Very high59 Ų5948.3 Ų48.336%0.35824%0.237SC..Iπ-helixtrans-68.8-48.6-171.6174.90000112.4F181 S189F181-V185 HydrophobicContact CD2-CG2 4.11Å; F181-V185 HydrophobicContact CE1-CG2 4.19Å; F181-V185 HydrophobicContact CE2-CG2 3.7Å; F181-V185 HydrophobicContact CZ-CG2 3.75Å; F181-V185 WeakPolarHBondContact O-CG2 3.41Å; F181-V185 PolarHBondContact O-N 3.39Å; V185-S189 WeakPolarHBondContact O-CB 3.43Å; V185-S189 PolarHBondContact O-OG 3.3Å
186F96.8Very high95.8Very high42 Ų4254.1 Ų54.118%0.18426%0.259CS..Iπ-helixtrans-99.5-29.8-171.1-71.3-81.6000113.7M67 F147 V150 T182 A190M67-F186 HydrophobicContact CG-CE1 4.39Å; M67-F186 HydrophobicContact SD-CE1 3.82Å; M67-F186 HydrophobicContact SD-CZ 4.09Å; F147-F186 HydrophobicContact CB-CD1 4.43Å; F147-F186 HydrophobicContact CD2-CD1 4.4Å; F147-F186 WeakPolarHBondContact O-CB 3.34Å; V150-F186 HydrophobicContact CB-CB 4.15Å; V150-F186 HydrophobicContact CB-CD1 3.94Å; V150-F186 HydrophobicContact CB-CD2 4.14Å; V150-F186 HydrophobicContact CB-CE1 4.37Å; V150-F186 HydrophobicContact CB-CG 3.82Å; V150-F186 HydrophobicContact CG1-CD1 4.11Å; V150-F186 HydrophobicContact CG1-CD2 3.68Å; V150-F186 HydrophobicContact CG1-CE1 4.16Å; V150-F186 HydrophobicContact CG1-CE2 3.74Å; V150-F186 HydrophobicContact CG1-CG 3.88Å; V150-F186 HydrophobicContact CG1-CZ 3.98Å; V150-F186 HydrophobicContact CG2-CD1 3.98Å; V150-F186 HydrophobicContact CG2-CE1 4.19Å; V150-F186 HydrophobicContact CG2-CG 4.37Å; T182-F186 HydrophobicContact CG2-CD2 4.34Å; T182-F186 WeakPolarHBondContact O-CB 3.09Å; T182-F186 PolarHBondContact O-N 3.03Å; F186-A190 WeakPolarHBondContact O-CB 3.42Å
187R96.4Very high96Very high28 Ų2854.4 Ų54.411%0.10626%0.26CS..Iπ-helixtrans-92.9-53.8-177.8-179.6172.2-77.8172.6-6.9112.5V148 N151 S152 Y183 Q191 I222V148-R187 HydrophobicContact CB-CB 4.49Å; V148-R187 HydrophobicContact CB-CG 4.35Å; V148-R187 HydrophobicContact CG1-CB 4.32Å; V148-R187 HydrophobicContact CG1-CG 4.06Å; N151-R187 HydrophobicContact CB-CB 4.25Å; N151-R187 PolarHBondContact OD1-NE 3.04Å; N151-R187 PolarHBondContact OD1-NH1 3.16Å; S152-R187 PolarHBondContact OG-NH2 2.96Å; Y183-R187 WeakPolarHBondContact O-CA 3.35Å; Y183-R187 VanDerWaalsContact O-CB 3.25Å; Y183-R187 WeakPolarHBondContact O-CB 3.45Å; Y183-R187 PolarHBondContact O-N 3.2Å; Y183-R187 VanDerWaalsContact O-N 3.15Å; R187-Q191 PolarHBondContact O-N 3.46Å; R187-I222 HydrophobicContact CG-CD1 4.21Å; R187-I222 HydrophobicContact CG-CG2 4.15Å
188L95.6Very high96.1Very high50 Ų5049.1 Ų49.126%0.26224%0.237SC..Iπ-helixtrans-69.3-45.5179.4-65.8-179.4000112Y183 I184 A190 Q191 F192 I222Y183-L188 HydrophobicContact CD1-CD1 4.23Å; Y183-L188 HydrophobicContact CD1-CG 3.97Å; Y183-L188 HydrophobicContact CE1-CD1 4.28Å; Y183-L188 HydrophobicContact CE1-CD2 3.91Å; Y183-L188 HydrophobicContact CE1-CG 3.88Å; Y183-L188 PolarHBondContact O-N 3.05Å; I184-L188 HydrophobicContact CG1-CD1 4.37Å; L188-A190 PolarHBondContact O-N 2.99Å; L188-Q191 PolarHBondContact O-N 3.5Å; L188-F192 VanDerWaalsContact O-CB 3.27Å; L188-F192 WeakPolarHBondContact O-CB 3.28Å; L188-F192 PolarHBondContact O-N 3.44Å; L188-I222 HydrophobicContact CD2-CG2 3.72Å
189S96.4Very high96.2Very high62 Ų6248.9 Ų48.943%0.43424%0.239SC..Hα-helixtrans-64.6-42.4-179.3-45.20000113I184 V185 Q191 F192 Y193I184-S189 PolarHBondContact O-N 3.47Å; I184-S189 PolarHBondContact O-OG 3.5Å; I184-S189 VanDerWaalsContact O-OG 3.08Å; V185-S189 WeakPolarHBondContact O-CB 3.43Å; V185-S189 PolarHBondContact O-OG 3.3Å; S189-Q191 VanDerWaalsContact C-N 3.34Å; S189-Q191 PolarHBondContact O-N 2.96Å; S189-F192 PolarHBondContact O-N 3.33Å; S189-Y193 WeakPolarHBondContact O-CB 3.41Å; S189-Y193 PolarHBondContact O-N 3.33Å
190A96.3Very high96.2Very high6 Ų654.3 Ų54.35%0.0526%0.264CS..Hα-helixtrans-62.8-43.2178.500000111.1V144 F147 F186 L188 Y193 L194V144-A190 HydrophobicContact CG1-CB 4.45Å; F147-A190 HydrophobicContact CB-CB 3.99Å; F186-A190 WeakPolarHBondContact O-CB 3.42Å; L188-A190 PolarHBondContact O-N 2.99Å; A190-Y193 PolarHBondContact O-N 2.85Å; A190-L194 WeakPolarHBondContact O-CG 3.34Å; A190-L194 PolarHBondContact O-N 3.36Å
191Q95.6Very high96.1Very high12 Ų1255 Ų556%0.05627%0.268CS..Hα-helixtrans-71-36.6177.2-73.9-61.835.900114R187 L188 S189 Y193 L194 T195 M215 N219 I222R187-Q191 PolarHBondContact O-N 3.46Å; L188-Q191 PolarHBondContact O-N 3.5Å; S189-Q191 VanDerWaalsContact C-N 3.34Å; S189-Q191 PolarHBondContact O-N 2.96Å; Q191-Y193 VanDerWaalsContact C-N 3.32Å; Q191-L194 PolarHBondContact O-N 3.47Å; Q191-T195 VanDerWaalsContact O-CB 3.24Å; Q191-T195 WeakPolarHBondContact O-CB 3.38Å; Q191-T195 PolarHBondContact O-N 3.48Å; Q191-T195 PolarHBondContact O-OG1 3.38Å; Q191-M215 PolarHBondContact OE1-SD 3.42Å; Q191-N219 WeakPolarHBondContact CB-OD1 3.45Å; Q191-I222 HydrophobicContact CG-CD1 3.59Å
192F97Very high95.9Very high153 Ų15354.7 Ų54.767%0.67126%0.264SS*.Hα-helixtrans-59-48171.9177.5-98.3000110.6L188 S189 T195 Y196L188-F192 VanDerWaalsContact O-CB 3.27Å; L188-F192 WeakPolarHBondContact O-CB 3.28Å; L188-F192 PolarHBondContact O-N 3.44Å; S189-F192 PolarHBondContact O-N 3.33Å; F192-T195 PolarHBondContact O-N 3.39Å; F192-Y196 VanDerWaalsContact O-CB 3.26Å; F192-Y196 WeakPolarHBondContact O-CB 3.42Å; F192-Y196 PolarHBondContact O-N 3.15Å
193Y97.3Very high95.5Very high72 Ų7260 Ų6028%0.28230%0.302SS..Hα-helixtrans-59.4-48.4178.3172.1-93.6000112.3A77 I80 V144 S189 A190 Q191 Y196 Y197A77-Y193 PolarHBondContact O-OH 2.88Å; I80-Y193 HydrophobicContact CD1-CE1 3.91Å; I80-Y193 HydrophobicContact CG1-CE1 4.13Å; I80-Y193 WeakPolarHBondContact CG1-OH 3.47Å; V144-Y193 HydrophobicContact CG1-CD1 3.86Å; V144-Y193 HydrophobicContact CG1-CE1 4.26Å; S189-Y193 WeakPolarHBondContact O-CB 3.41Å; S189-Y193 PolarHBondContact O-N 3.33Å; A190-Y193 PolarHBondContact O-N 2.85Å; Q191-Y193 VanDerWaalsContact C-N 3.32Å; Y193-Y196 PolarHBondContact O-N 3.2Å; Y193-Y197 WeakPolarHBondContact O-CB 3.33Å; Y193-Y197 PolarHBondContact O-N 2.86Å
194L96.6Very high95.1Very high10 Ų1067.5 Ų67.55%0.05233%0.33CS..Hα-helixtrans-66.3-40178.8-70.3175.3000112.4V144 A145 A190 Q191 Y197 I198 M215V144-L194 HydrophobicContact CB-CD2 4.15Å; V144-L194 HydrophobicContact CG1-CD1 4.29Å; V144-L194 HydrophobicContact CG1-CD2 4.05Å; V144-L194 HydrophobicContact CG1-CG 4.01Å; A145-L194 HydrophobicContact CB-CD1 3.7Å; A190-L194 WeakPolarHBondContact O-CG 3.34Å; A190-L194 PolarHBondContact O-N 3.36Å; Q191-L194 PolarHBondContact O-N 3.47Å; L194-Y197 PolarHBondContact O-N 2.98Å; L194-I198 VanDerWaalsContact O-CG1 3.28Å; L194-I198 WeakPolarHBondContact O-CG1 3.21Å; L194-I198 PolarHBondContact O-N 2.84Å; L194-M215 HydrophobicContact CB-CE 3.64Å; L194-M215 HydrophobicContact CD1-CE 4.12Å
195T96.8Very high94.7Very high31 Ų3164.5 Ų64.519%0.1932%0.315CS..Hα-helixtrans-62.5-46.7175.7-55.40000110.7Q191 F192 Y197 I198 V199 M215 N219Q191-T195 VanDerWaalsContact O-CB 3.24Å; Q191-T195 WeakPolarHBondContact O-CB 3.38Å; Q191-T195 PolarHBondContact O-N 3.48Å; Q191-T195 PolarHBondContact O-OG1 3.38Å; F192-T195 PolarHBondContact O-N 3.39Å; T195-Y197 VanDerWaalsContact C-N 3.34Å; T195-Y197 PolarHBondContact O-N 2.94Å; T195-I198 PolarHBondContact O-N 2.88Å; T195-V199 HydrophobicContact CG2-CG2 4.5Å; T195-V199 WeakPolarHBondContact O-CG2 3.18Å; T195-V199 PolarHBondContact O-N 2.83Å; T195-M215 HydrophobicContact CG2-CG 4.39Å; T195-M215 WeakPolarHBondContact OG1-CG 3.19Å; T195-N219 PolarHBondContact OG1-ND2 3.11Å
196Y96.8Very high94.2Very high128 Ų12865.1 Ų65.150%0.50232%0.316SS..Hα-helixtrans-57-47.9174.9169.9-98.6000111.1F192 Y193 I198 V199 Q200F192-Y196 VanDerWaalsContact O-CB 3.26Å; F192-Y196 WeakPolarHBondContact O-CB 3.42Å; F192-Y196 PolarHBondContact O-N 3.15Å; Y193-Y196 PolarHBondContact O-N 3.2Å; Y196-I198 PolarHBondContact O-N 3.37Å; Y196-V199 PolarHBondContact O-N 3.5Å; Y196-Q200 HydrophobicContact CD1-CG 4.4Å; Y196-Q200 HydrophobicContact CD2-CG 3.91Å; Y196-Q200 HydrophobicContact CE1-CG 4.03Å; Y196-Q200 HydrophobicContact CE2-CG 3.5Å; Y196-Q200 VanDerWaalsContact CE2-CG 3.5Å; Y196-Q200 HydrophobicContact CG-CG 4.35Å; Y196-Q200 WeakPolarHBondContact O-CB 3.44Å; Y196-Q200 VanDerWaalsContact O-CG 3.31Å; Y196-Q200 WeakPolarHBondContact O-CG 3.49Å; Y196-Q200 PolarHBondContact O-N 2.93Å
197Y95.6Very high93.9Very high32 Ų3269.6 Ų69.613%0.12534%0.335CS..Hα-helixtrans-58.3-47.1178.1-178.7-90.3000112.3I80 H81 Y193 L194 T195 V199 Q200 N201I80-Y197 HydrophobicContact CB-CD1 4.25Å; I80-Y197 HydrophobicContact CB-CD2 4.22Å; I80-Y197 HydrophobicContact CB-CE1 3.82Å; I80-Y197 HydrophobicContact CB-CE2 3.8Å; I80-Y197 HydrophobicContact CB-CG 4.44Å; I80-Y197 HydrophobicContact CG1-CD2 4.09Å; I80-Y197 HydrophobicContact CG1-CE2 4.07Å; I80-Y197 HydrophobicContact CG1-CG 4.4Å; I80-Y197 HydrophobicContact CG2-CD1 3.93Å; I80-Y197 HydrophobicContact CG2-CE1 3.64Å; I80-Y197 HydrophobicContact CG2-CE2 4.5Å; I80-Y197 HydrophobicContact CG2-CG 4.47Å; H81-Y197 PolarHBondContact N-OH 3.38Å; Y193-Y197 WeakPolarHBondContact O-CB 3.33Å; Y193-Y197 PolarHBondContact O-N 2.86Å; L194-Y197 PolarHBondContact O-N 2.98Å; T195-Y197 VanDerWaalsContact C-N 3.34Å; T195-Y197 PolarHBondContact O-N 2.94Å; Y197-V199 PolarHBondContact O-N 3.21Å; Y197-Q200 PolarHBondContact O-N 3.47Å; Y197-N201 WeakPolarHBondContact CE2-ND2 3.41Å; Y197-N201 WeakPolarHBondContact O-CB 3.28Å; Y197-N201 PolarHBondContact O-N 3.08Å; Y197-N201 PolarHBondContact O-ND2 2.88Å
198I95.4Very high93.5Very high8 Ų868.5 Ų68.54%0.04133%0.333CS..Hα-helixtrans-62.6-44.6179.4-67.7162.6000110.7L194 T195 Y196 Y202 M205 F211 L212 M215L194-I198 VanDerWaalsContact O-CG1 3.28Å; L194-I198 WeakPolarHBondContact O-CG1 3.21Å; L194-I198 PolarHBondContact O-N 2.84Å; T195-I198 PolarHBondContact O-N 2.88Å; Y196-I198 PolarHBondContact O-N 3.37Å; I198-Y202 VanDerWaalsContact O-CA 3.23Å; I198-Y202 WeakPolarHBondContact O-CA 3.36Å; I198-Y202 WeakPolarHBondContact O-CB 3.49Å; I198-Y202 PolarHBondContact O-N 2.99Å; I198-M205 HydrophobicContact CB-SD 4.39Å; I198-M205 HydrophobicContact CG1-CE 4.2Å; I198-M205 HydrophobicContact CG1-SD 4.04Å; I198-M205 HydrophobicContact CG2-SD 4.18Å; I198-F211 HydrophobicContact CD1-CB 3.99Å; I198-F211 HydrophobicContact CG1-CB 4.39Å; I198-L212 HydrophobicContact CG2-CB 3.97Å; I198-L212 HydrophobicContact CG2-CD1 4.14Å; I198-M215 HydrophobicContact CD1-CB 4.02Å; I198-M215 HydrophobicContact CD1-CE 3.88Å; I198-M215 HydrophobicContact CD1-CG 4.14Å
199V95.6Very high93.3Very high79 Ų7967.5 Ų67.548%0.47934%0.335SS..Hα-helixtrans-66.5-44.1-178.6170.90000111.3T195 Y196 Y197 N201 L212T195-V199 HydrophobicContact CG2-CG2 4.5Å; T195-V199 WeakPolarHBondContact O-CG2 3.18Å; T195-V199 PolarHBondContact O-N 2.83Å; Y196-V199 PolarHBondContact O-N 3.5Å; Y197-V199 PolarHBondContact O-N 3.21Å; V199-N201 VanDerWaalsContact C-N 3.34Å; V199-N201 PolarHBondContact O-N 2.86Å; V199-L212 HydrophobicContact CG2-CD1 4.14Å
200Q95.1Very high93.1Very high115 Ų11567.5 Ų67.554%0.53733%0.325SS..Hα-helixtrans-66.6-35.6179.9-70.1-58.3-51.200112.7Y196 Y197Y196-Q200 HydrophobicContact CD1-CG 4.4Å; Y196-Q200 HydrophobicContact CD2-CG 3.91Å; Y196-Q200 HydrophobicContact CE1-CG 4.03Å; Y196-Q200 HydrophobicContact CE2-CG 3.5Å; Y196-Q200 VanDerWaalsContact CE2-CG 3.5Å; Y196-Q200 HydrophobicContact CG-CG 4.35Å; Y196-Q200 WeakPolarHBondContact O-CB 3.44Å; Y196-Q200 VanDerWaalsContact O-CG 3.31Å; Y196-Q200 WeakPolarHBondContact O-CG 3.49Å; Y196-Q200 PolarHBondContact O-N 2.93Å; Y197-Q200 PolarHBondContact O-N 3.47Å
201N92.9Very high93Very high54 Ų5468 Ų6829%0.28933%0.327SS..THydrogen-bonded Turntrans-101.512-176.6-61-81.6000112.9Y197 V199 S203 W204 M205Y197-N201 WeakPolarHBondContact CE2-ND2 3.41Å; Y197-N201 WeakPolarHBondContact O-CB 3.28Å; Y197-N201 PolarHBondContact O-N 3.08Å; Y197-N201 PolarHBondContact O-ND2 2.88Å; V199-N201 VanDerWaalsContact C-N 3.34Å; V199-N201 PolarHBondContact O-N 2.86Å; N201-S203 VanDerWaalsContact C-N 3.29Å; N201-S203 PolarHBondContact O-N 3.3Å; N201-S203 VanDerWaalsContact O-N 3.16Å; N201-W204 PolarHBondContact O-N 2.89Å; N201-M205 VanDerWaalsContact O-CB 3.3Å; N201-M205 WeakPolarHBondContact O-CB 3.45Å; N201-M205 PolarHBondContact O-N 2.94Å
202Y91.3Very high92.9Very high114 Ų11469.7 Ų69.745%0.44734%0.336SS..THydrogen-bonded Turntrans-55.4-40.3-168.1-176.9-97.1000114I198 W204 G208 L212I198-Y202 VanDerWaalsContact O-CA 3.23Å; I198-Y202 WeakPolarHBondContact O-CA 3.36Å; I198-Y202 WeakPolarHBondContact O-CB 3.49Å; I198-Y202 PolarHBondContact O-N 2.99Å; Y202-W204 VanDerWaalsContact C-N 3.31Å; Y202-W204 PolarHBondContact O-N 3.4Å; Y202-G208 VanDerWaalsContact CE2-C 3.48Å; Y202-L212 HydrophobicContact CD2-CD2 4.09Å; Y202-L212 HydrophobicContact CE2-CB 4.23Å; Y202-L212 HydrophobicContact CE2-CD2 3.74Å
203S88.8Confident92.9Very high121 Ų12166.7 Ų66.785%0.84633%0.33SS*.THydrogen-bonded Turntrans-70.8-25-178.153.90000113.8N201N201-S203 VanDerWaalsContact C-N 3.29Å; N201-S203 PolarHBondContact O-N 3.3Å; N201-S203 VanDerWaalsContact O-N 3.16Å
204W87.9Confident92.8Very high161 Ų16163.8 Ų63.861%0.6132%0.319SS*.THydrogen-bonded Turntrans-104.1-18.3-178.1-178.578.1000112.8H81 N201 Y202 D206H81-W204 HydrophobicContact CB-CH2 4.23Å; H81-W204 HydrophobicContact CB-CZ3 4.02Å; H81-W204 AromaticContact CD2-CH2 3.55Å; H81-W204 AromaticContact CD2-CZ3 3.36Å; H81-W204 WeakPolarHBondContact CD2-CZ3 3.32Å; H81-W204 AromaticContact CE1-CH2 3.76Å; H81-W204 AromaticContact CG-CH2 3.58Å; H81-W204 AromaticContact CG-CZ3 3.62Å; H81-W204 AromaticContact ND1-CH2 3.7Å; H81-W204 AromaticContact NE2-CH2 3.7Å; H81-W204 AromaticContact NE2-CZ3 3.9Å; N201-W204 PolarHBondContact O-N 2.89Å; Y202-W204 VanDerWaalsContact C-N 3.31Å; Y202-W204 PolarHBondContact O-N 3.4Å; W204-D206 PolarHBondContact O-N 3.15Å
205M87.7Confident92.8Very high18 Ų1864.3 Ų64.39%0.08932%0.322CS..SBendtrans-72.1127.6-174.7-167.1-179-179.700112.2Y138 I198 N201 K207 G208 F211Y138-M205 HydrophobicContact CD1-CE 3.93Å; Y138-M205 HydrophobicContact CE1-CE 3.6Å; Y138-M205 HydrophobicContact CE1-CG 3.99Å; Y138-M205 HydrophobicContact CE2-CE 4.22Å; Y138-M205 HydrophobicContact CG-CE 4.37Å; Y138-M205 WeakPolarHBondContact OH-CG 3.14Å; I198-M205 HydrophobicContact CB-SD 4.39Å; I198-M205 HydrophobicContact CG1-CE 4.2Å; I198-M205 HydrophobicContact CG1-SD 4.04Å; I198-M205 HydrophobicContact CG2-SD 4.18Å; N201-M205 VanDerWaalsContact O-CB 3.3Å; N201-M205 WeakPolarHBondContact O-CB 3.45Å; N201-M205 PolarHBondContact O-N 2.94Å; M205-K207 PolarHBondContact O-N 2.93Å; M205-K207 VanDerWaalsContact O-N 3.11Å; M205-G208 PolarHBondContact O-N 3.25Å; M205-G208 VanDerWaalsContact O-N 3.08Å; M205-F211 HydrophobicContact CE-CB 3.91Å; M205-F211 HydrophobicContact CE-CD1 4.46Å; M205-F211 HydrophobicContact CE-CD2 3.24Å; M205-F211 HydrophobicContact CE-CE2 3.77Å; M205-F211 HydrophobicContact CE-CG 3.63Å; M205-F211 HydrophobicContact SD-CB 4.49Å; M205-F211 HydrophobicContact SD-CD2 4.28Å
206D86.8Confident92.7Very high71 Ų7166.3 Ų66.338%0.3833%0.334SS..THydrogen-bonded Turntrans-56.4118.5168.5-59.1-72.9000109.6H81 Y138 W204 G208H81-D206 IonicContact CD2-OD2 4Å; H81-D206 IonicContact CE1-OD2 3.83Å; H81-D206 IonicContact NE2-OD2 2.96Å; H81-D206 PolarHBondContact NE2-OD2 3.42Å; Y138-D206 HydrophobicContact CE2-CB 4.27Å; Y138-D206 WeakPolarHBondContact OH-CB 3.42Å; Y138-D206 PolarHBondContact OH-N 2.97Å; Y138-D206 PolarHBondContact OH-OD2 3.44Å; W204-D206 PolarHBondContact O-N 3.15Å; D206-G208 VanDerWaalsContact C-N 3.31Å; D206-G208 PolarHBondContact O-N 3.46Å
207K90Very high92.7Very high137 Ų13764.3 Ų64.360%0.59633%0.332SS*.THydrogen-bonded Turntrans57.438.7-177.5-49.7-64-175.1-177.50113.2Y131 M205 G209 Y210 F211Y131-K207 HydrophobicContact CE2-CG 3.99Å; M205-K207 PolarHBondContact O-N 2.93Å; M205-K207 VanDerWaalsContact O-N 3.11Å; K207-G209 VanDerWaalsContact C-N 3.26Å; K207-G209 PolarHBondContact O-N 3.16Å; K207-G209 VanDerWaalsContact O-N 3.11Å; K207-Y210 HydrophobicContact CB-CG 4.46Å; K207-Y210 VanDerWaalsContact O-CB 3.24Å; K207-Y210 WeakPolarHBondContact O-CB 3.21Å; K207-Y210 PolarHBondContact O-N 3.06Å; K207-F211 PolarHBondContact O-N 3.44Å
208G88.8Confident92.8Very high5 Ų563.6 Ų63.65%0.05233%0.33CS..Hα-helixtrans-48.5-41.9177.700000114.7Y202 M205 D206 Y210 F211 L212Y202-G208 VanDerWaalsContact CE2-C 3.48Å; M205-G208 PolarHBondContact O-N 3.25Å; M205-G208 VanDerWaalsContact O-N 3.08Å; D206-G208 VanDerWaalsContact C-N 3.31Å; D206-G208 PolarHBondContact O-N 3.46Å; G208-Y210 PolarHBondContact O-N 3.4Å; G208-F211 PolarHBondContact O-N 3.13Å; G208-L212 VanDerWaalsContact O-CB 3.31Å; G208-L212 WeakPolarHBondContact O-CB 3.47Å; G208-L212 PolarHBondContact O-N 2.92Å
209G90.8Very high92.8Very high29 Ų2965 Ų6530%0.29934%0.337SS..Hα-helixtrans-61.5-38.117600000114.5K207 L212 V213K207-G209 VanDerWaalsContact C-N 3.26Å; K207-G209 PolarHBondContact O-N 3.16Å; K207-G209 VanDerWaalsContact O-N 3.11Å; G209-L212 PolarHBondContact O-N 2.92Å; G209-V213 WeakPolarHBondContact O-CG2 3.16Å; G209-V213 PolarHBondContact O-N 3.18Å
210Y92Very high92.8Very high61 Ų6164.7 Ų64.724%0.23934%0.335CS..Hα-helixtrans-62.1-47.2177.3169.7-79.9000111.4W127 K207 G208 T214W127-Y210 VanDerWaalsContact C-OH 3.29Å; W127-Y210 AromaticContact CD1-CE1 3.71Å; W127-Y210 AromaticContact CD1-CE2 3.48Å; W127-Y210 VanDerWaalsContact CD1-CE2 3.48Å; W127-Y210 AromaticContact CD1-CZ 3.09Å; W127-Y210 HydrophobicContact CD2-CE2 4.26Å; W127-Y210 AromaticContact CE2-CE2 3.3Å; W127-Y210 AromaticContact CE2-CZ 3.68Å; W127-Y210 HydrophobicContact CG-CE2 4.31Å; W127-Y210 AromaticContact CG-CZ 3.87Å; W127-Y210 VanDerWaalsContact CG-OH 3.27Å; W127-Y210 HydrophobicContact CZ2-CD2 4.43Å; W127-Y210 AromaticContact CZ2-CE2 3.7Å; W127-Y210 HydrophobicContact CZ2-CE2 3.7Å; W127-Y210 AromaticContact NE1-CD2 3.45Å; W127-Y210 AromaticContact NE1-CE1 3.86Å; W127-Y210 AromaticContact NE1-CE2 2.77Å; W127-Y210 AromaticContact NE1-CZ 2.98Å; W127-Y210 PolarHBondContact NE1-OH 3.16Å; W127-Y210 VanDerWaalsContact NE1-OH 3.15Å; W127-Y210 PolarHBondContact O-OH 3.24Å; K207-Y210 HydrophobicContact CB-CG 4.46Å; K207-Y210 VanDerWaalsContact O-CB 3.24Å; K207-Y210 WeakPolarHBondContact O-CB 3.21Å; K207-Y210 PolarHBondContact O-N 3.06Å; G208-Y210 PolarHBondContact O-N 3.4Å; Y210-T214 PolarHBondContact O-N 3.42Å; Y210-T214 PolarHBondContact O-OG1 2.72Å
211F93.7Very high92.8Very high17 Ų1760.6 Ų60.68%0.07532%0.317CS..Hα-helixtrans-71.4-39179.9-73.2-68.2000111.5C128 Y131 Y138 I198 M205 K207 G208 T214 M215C128-F211 HydrophobicContact CB-CE1 4.3Å; Y131-F211 HydrophobicContact CD1-CE1 4.47Å; Y131-F211 HydrophobicContact CD1-CE2 4.09Å; Y131-F211 AromaticContact CD1-CZ 3.47Å; Y131-F211 HydrophobicContact CD1-CZ 3.47Å; Y131-F211 VanDerWaalsContact CD1-CZ 3.47Å; Y131-F211 AromaticContact CE1-CE2 3.87Å; Y131-F211 HydrophobicContact CE1-CE2 3.87Å; Y131-F211 AromaticContact CE1-CZ 3.72Å; Y131-F211 HydrophobicContact CE1-CZ 3.72Å; Y131-F211 HydrophobicContact CG-CZ 4.18Å; Y138-F211 AromaticContact CD2-CE2 3.73Å; Y138-F211 HydrophobicContact CD2-CE2 3.73Å; Y138-F211 AromaticContact CD2-CZ 3.71Å; Y138-F211 HydrophobicContact CD2-CZ 3.71Å; Y138-F211 AromaticContact CE2-CE2 3.73Å; Y138-F211 HydrophobicContact CE2-CE2 3.73Å; Y138-F211 HydrophobicContact CE2-CZ 4.2Å; Y138-F211 HydrophobicContact CG-CZ 4.35Å; I198-F211 HydrophobicContact CD1-CB 3.99Å; I198-F211 HydrophobicContact CG1-CB 4.39Å; M205-F211 HydrophobicContact CE-CB 3.91Å; M205-F211 HydrophobicContact CE-CD1 4.46Å; M205-F211 HydrophobicContact CE-CD2 3.24Å; M205-F211 HydrophobicContact CE-CE2 3.77Å; M205-F211 HydrophobicContact CE-CG 3.63Å; M205-F211 HydrophobicContact SD-CB 4.49Å; M205-F211 HydrophobicContact SD-CD2 4.28Å; K207-F211 PolarHBondContact O-N 3.44Å; G208-F211 PolarHBondContact O-N 3.13Å; F211-T214 PolarHBondContact O-N 2.96Å; F211-M215 WeakPolarHBondContact O-CB 3.37Å; F211-M215 PolarHBondContact O-N 3.16Å
212L94.8Very high92.9Very high48 Ų4858.6 Ų58.625%0.25131%0.306SS..Hα-helixtrans-62.4-47.6178.3-175.361.9000111.7I198 V199 Y202 G208 G209 T214 M215 T216I198-L212 HydrophobicContact CG2-CB 3.97Å; I198-L212 HydrophobicContact CG2-CD1 4.14Å; V199-L212 HydrophobicContact CG2-CD1 4.14Å; Y202-L212 HydrophobicContact CD2-CD2 4.09Å; Y202-L212 HydrophobicContact CE2-CB 4.23Å; Y202-L212 HydrophobicContact CE2-CD2 3.74Å; G208-L212 VanDerWaalsContact O-CB 3.31Å; G208-L212 WeakPolarHBondContact O-CB 3.47Å; G208-L212 PolarHBondContact O-N 2.92Å; G209-L212 PolarHBondContact O-N 2.92Å; L212-T214 VanDerWaalsContact C-N 3.35Å; L212-T214 PolarHBondContact O-N 3.5Å; L212-M215 PolarHBondContact O-N 2.94Å; L212-T216 PolarHBondContact O-N 3.47Å; L212-T216 PolarHBondContact O-OG1 3.41Å
213V96Very high93Very high90 Ų9058.1 Ų58.155%0.54531%0.311SS..Hα-helixtrans-59.5-47.4177.3169.60000110.9G209 M215 T216 L217G209-V213 WeakPolarHBondContact O-CG2 3.16Å; G209-V213 PolarHBondContact O-N 3.18Å; V213-M215 VanDerWaalsContact C-N 3.32Å; V213-M215 PolarHBondContact O-N 3.26Å; V213-T216 PolarHBondContact O-N 2.94Å; V213-L217 HydrophobicContact CG1-CD1 4.24Å; V213-L217 WeakPolarHBondContact O-CG 3.36Å; V213-L217 PolarHBondContact O-N 3.46Å
214T95.6Very high93.3Very high10 Ų1055.8 Ų55.86%0.06129%0.288CS..Hα-helixtrans-61.2-42.9178.8-550000111.4L124 C128 Y210 F211 L212 L217 M218L124-T214 HydrophobicContact CB-CG2 3.98Å; L124-T214 HydrophobicContact CD2-CG2 4.09Å; C128-T214 WeakPolarHBondContact SG-CG2 3.49Å; Y210-T214 PolarHBondContact O-N 3.42Å; Y210-T214 PolarHBondContact O-OG1 2.72Å; F211-T214 PolarHBondContact O-N 2.96Å; L212-T214 VanDerWaalsContact C-N 3.35Å; L212-T214 PolarHBondContact O-N 3.5Å; T214-L217 PolarHBondContact O-N 2.94Å; T214-M218 WeakPolarHBondContact O-CB 3.46Å; T214-M218 WeakPolarHBondContact O-CG 3.47Å; T214-M218 PolarHBondContact O-N 3.05Å
215M95.8Very high93.5Very high22 Ų2250.7 Ų50.711%0.10827%0.269CS..Hα-helixtrans-65.4-42.2178.7-170.857.167.300112.2Q191 L194 T195 I198 F211 L212 V213 M218 N219Q191-M215 PolarHBondContact OE1-SD 3.42Å; L194-M215 HydrophobicContact CB-CE 3.64Å; L194-M215 HydrophobicContact CD1-CE 4.12Å; T195-M215 HydrophobicContact CG2-CG 4.39Å; T195-M215 WeakPolarHBondContact OG1-CG 3.19Å; I198-M215 HydrophobicContact CD1-CB 4.02Å; I198-M215 HydrophobicContact CD1-CE 3.88Å; I198-M215 HydrophobicContact CD1-CG 4.14Å; F211-M215 WeakPolarHBondContact O-CB 3.37Å; F211-M215 PolarHBondContact O-N 3.16Å; L212-M215 PolarHBondContact O-N 2.94Å; V213-M215 VanDerWaalsContact C-N 3.32Å; V213-M215 PolarHBondContact O-N 3.26Å; M215-M218 PolarHBondContact O-N 3.15Å; M215-N219 WeakPolarHBondContact O-CB 3.46Å; M215-N219 PolarHBondContact O-N 3.49Å; M215-N219 PolarHBondContact O-ND2 3.43Å
216T96.5Very high93.7Very high73 Ų7351.8 Ų51.845%0.44827%0.273SS..Hα-helixtrans-60.9-47.7175.5-59.60000111.2L212 V213 M218 N219 T220L212-T216 PolarHBondContact O-N 3.47Å; L212-T216 PolarHBondContact O-OG1 3.41Å; V213-T216 PolarHBondContact O-N 2.94Å; T216-M218 PolarHBondContact O-N 3.5Å; T216-N219 PolarHBondContact O-N 3.06Å; T216-T220 PolarHBondContact O-N 2.66Å; T216-T220 PolarHBondContact O-OG1 2.97Å
217L96.7Very high94Very high85 Ų8555.4 Ų55.445%0.44528%0.283SS..Hα-helixtrans-60.5-45.3177.4-68.1174.6000111.6L124 V213 T214 N219 T220 M221L124-L217 HydrophobicContact CD1-CB 3.82Å; L124-L217 HydrophobicContact CD1-CD1 4.4Å; L124-L217 HydrophobicContact CD2-CD1 3.9Å; V213-L217 HydrophobicContact CG1-CD1 4.24Å; V213-L217 WeakPolarHBondContact O-CG 3.36Å; V213-L217 PolarHBondContact O-N 3.46Å; T214-L217 PolarHBondContact O-N 2.94Å; L217-N219 PolarHBondContact O-N 2.95Å; L217-T220 PolarHBondContact O-N 3.08Å; L217-M221 WeakPolarHBondContact O-CG 3.49Å; L217-M221 PolarHBondContact O-N 3.02Å
218M95.9Very high94Very high18 Ų1853.8 Ų53.89%0.08927%0.273CS..Hα-helixtrans-59.8-45.1175.8-80.6-60-58.700112.3H121 L124 V125 T214 M215 T216 M221 I222H121-M218 VanDerWaalsContact ND1-CE 3.28Å; H121-M218 WeakPolarHBondContact ND1-CE 3.36Å; H121-M218 PolarHBondContact ND1-SD 2.86Å; H121-M218 VanDerWaalsContact ND1-SD 3.4Å; L124-M218 HydrophobicContact CB-CG 4.37Å; L124-M218 HydrophobicContact CB-SD 4.19Å; L124-M218 HydrophobicContact CD1-CG 4.28Å; L124-M218 HydrophobicContact CD1-SD 4.14Å; V125-M218 HydrophobicContact CG2-CE 4.44Å; V125-M218 HydrophobicContact CG2-SD 4.42Å; T214-M218 WeakPolarHBondContact O-CB 3.46Å; T214-M218 WeakPolarHBondContact O-CG 3.47Å; T214-M218 PolarHBondContact O-N 3.05Å; M215-M218 PolarHBondContact O-N 3.15Å; T216-M218 PolarHBondContact O-N 3.5Å; M218-M221 PolarHBondContact O-N 3.22Å; M218-I222 HydrophobicContact CE-CD1 4.38Å; M218-I222 WeakPolarHBondContact O-CB 3.37Å; M218-I222 VanDerWaalsContact O-CG1 3.25Å; M218-I222 WeakPolarHBondContact O-CG1 2.98Å; M218-I222 PolarHBondContact O-N 3.06Å
219N96.2Very high94Very high37 Ų3754.2 Ų54.220%0.19827%0.274CS..Hα-helixtrans-63.4-41.8177.1-74.6-18.3000111.8Q191 T195 M215 T216 L217 M221 I222 L223Q191-N219 WeakPolarHBondContact CB-OD1 3.45Å; T195-N219 PolarHBondContact OG1-ND2 3.11Å; M215-N219 WeakPolarHBondContact O-CB 3.46Å; M215-N219 PolarHBondContact O-N 3.49Å; M215-N219 PolarHBondContact O-ND2 3.43Å; T216-N219 PolarHBondContact O-N 3.06Å; L217-N219 PolarHBondContact O-N 2.95Å; N219-M221 PolarHBondContact O-N 2.59Å; N219-I222 PolarHBondContact O-N 3.29Å; N219-L223 VanDerWaalsContact O-CG 3.3Å; N219-L223 WeakPolarHBondContact O-CG 3.43Å; N219-L223 PolarHBondContact O-N 3.31Å
220T96.3Very high93.8Very high72 Ų7255.2 Ų55.244%0.44227%0.272SS..Hα-helixtrans-59.4-47.2174.9-58.20000111.1T216 L217 I222 L223 I224T216-T220 PolarHBondContact O-N 2.66Å; T216-T220 PolarHBondContact O-OG1 2.97Å; L217-T220 PolarHBondContact O-N 3.08Å; T220-I222 PolarHBondContact O-N 3.35Å; T220-L223 PolarHBondContact O-N 3.5Å; T220-I224 HydrophobicContact CG2-CD1 3.9Å; T220-I224 VanDerWaalsContact O-CG1 3.28Å; T220-I224 WeakPolarHBondContact O-CG1 3.45Å; T220-I224 PolarHBondContact O-N 3.37Å
221M94.9Very high93.6Very high29 Ų2957.6 Ų57.614%0.14328%0.281CS..Hα-helixtrans-60.8-44.6177.2-68.9178.369.300112.1E117 I120 H121 L124 L217 M218 N219 I224 Y225E117-M221 WeakPolarHBondContact O-CE 3.5Å; I120-M221 HydrophobicContact CG2-SD 4.25Å; H121-M221 HydrophobicContact CB-CE 3.79Å; L124-M221 HydrophobicContact CD1-SD 4.19Å; L217-M221 WeakPolarHBondContact O-CG 3.49Å; L217-M221 PolarHBondContact O-N 3.02Å; M218-M221 PolarHBondContact O-N 3.22Å; N219-M221 PolarHBondContact O-N 2.59Å; M221-I224 PolarHBondContact O-N 3.13Å; M221-Y225 PolarHBondContact O-N 3.09Å
222I94.3Very high93.1Very high12 Ų1259.4 Ų59.46%0.06230%0.298CS..Hα-helixtrans-59.3-50.7177.4-73.6169.7000109.9Y183 R187 L188 Q191 M218 N219 T220 I224 Y225 F226Y183-I222 HydrophobicContact CE1-CG2 4.17Å; Y183-I222 VanDerWaalsContact OH-CG2 3.22Å; Y183-I222 WeakPolarHBondContact OH-CG2 3.37Å; Y183-I222 PolarHBondContact OH-O 3.16Å; R187-I222 HydrophobicContact CG-CD1 4.21Å; R187-I222 HydrophobicContact CG-CG2 4.15Å; L188-I222 HydrophobicContact CD2-CG2 3.72Å; Q191-I222 HydrophobicContact CG-CD1 3.59Å; M218-I222 HydrophobicContact CE-CD1 4.38Å; M218-I222 WeakPolarHBondContact O-CB 3.37Å; M218-I222 VanDerWaalsContact O-CG1 3.25Å; M218-I222 WeakPolarHBondContact O-CG1 2.98Å; M218-I222 PolarHBondContact O-N 3.06Å; N219-I222 PolarHBondContact O-N 3.29Å; T220-I222 PolarHBondContact O-N 3.35Å; I222-I224 VanDerWaalsContact C-N 3.33Å; I222-I224 PolarHBondContact O-N 3.11Å; I222-Y225 PolarHBondContact O-N 3.48Å; I222-Y225 VanDerWaalsContact O-N 3.12Å; I222-F226 WeakPolarHBondContact O-CB 3.5Å; I222-F226 PolarHBondContact O-N 3.41Å
223L94.8Very high92.5Very high105 Ų10557.9 Ų57.955%0.5529%0.291SS..Hα-helixtrans-61-40.2179.3-68.2175000112.8N219 T220 F226 Y227N219-L223 VanDerWaalsContact O-CG 3.3Å; N219-L223 WeakPolarHBondContact O-CG 3.43Å; N219-L223 PolarHBondContact O-N 3.31Å; T220-L223 PolarHBondContact O-N 3.5Å; L223-F226 PolarHBondContact O-N 3.41Å; L223-Y227 WeakPolarHBondContact O-CB 3.38Å; L223-Y227 PolarHBondContact O-N 3.47Å
224I94.3Very high91.7Very high72 Ų7257.3 Ų57.337%0.36928%0.281SS..Hα-helixtrans-60.8-46.3174.6-69166.8000110.5T220 M221 I222 Y227 R228T220-I224 HydrophobicContact CG2-CD1 3.9Å; T220-I224 VanDerWaalsContact O-CG1 3.28Å; T220-I224 WeakPolarHBondContact O-CG1 3.45Å; T220-I224 PolarHBondContact O-N 3.37Å; M221-I224 PolarHBondContact O-N 3.13Å; I222-I224 VanDerWaalsContact C-N 3.33Å; I222-I224 PolarHBondContact O-N 3.11Å; I224-Y227 PolarHBondContact O-N 3.21Å; I224-R228 WeakPolarHBondContact O-CG 3.5Å; I224-R228 PolarHBondContact O-N 3.02Å
225Y91.6Very high90.9Very high53 Ų5364 Ų6421%0.20831%0.31CS..Hα-helixtrans-67.7-35178-70.3-22.9000113.4E117 M221 I222 R228 L229E117-Y225 WeakPolarHBondContact CB-OH 3.23Å; E117-Y225 WeakPolarHBondContact OE2-CE1 3.28Å; E117-Y225 PolarHBondContact OE2-OH 3.24Å; M221-Y225 PolarHBondContact O-N 3.09Å; I222-Y225 PolarHBondContact O-N 3.48Å; I222-Y225 VanDerWaalsContact O-N 3.12Å; Y225-R228 PolarHBondContact O-N 3.06Å; Y225-L229 WeakPolarHBondContact O-CB 3.28Å; Y225-L229 PolarHBondContact O-N 3.42Å
226F91.9Very high89.7Confident41 Ų4167.5 Ų67.518%0.1833%0.334CS..Hα-helixtrans-62-46.8173-171.1-125.6000111L180 Y183 I222 L223 L229 L230L180-F226 HydrophobicContact CD1-CE2 3.71Å; L180-F226 HydrophobicContact CD1-CZ 4.17Å; Y183-F226 AromaticContact CD1-CD2 3.41Å; Y183-F226 HydrophobicContact CD1-CD2 3.41Å; Y183-F226 VanDerWaalsContact CD1-CD2 3.41Å; Y183-F226 AromaticContact CD1-CE2 3.79Å; Y183-F226 HydrophobicContact CD1-CE2 3.79Å; Y183-F226 HydrophobicContact CD1-CG 4.21Å; Y183-F226 HydrophobicContact CE1-CB 3.67Å; Y183-F226 AromaticContact CE1-CD2 3.3Å; Y183-F226 HydrophobicContact CE1-CD2 3.3Å; Y183-F226 HydrophobicContact CE1-CE2 4.12Å; Y183-F226 AromaticContact CE1-CG 3.68Å; Y183-F226 HydrophobicContact CE1-CG 3.68Å; Y183-F226 HydrophobicContact CE2-CD2 4.47Å; Y183-F226 HydrophobicContact CG-CD2 4.09Å; Y183-F226 HydrophobicContact CG-CE2 4.43Å; Y183-F226 AromaticContact CZ-CD2 3.88Å; Y183-F226 WeakPolarHBondContact OH-CB 3.48Å; Y183-F226 PolarHBondContact OH-N 3.01Å; I222-F226 WeakPolarHBondContact O-CB 3.5Å; I222-F226 PolarHBondContact O-N 3.41Å; L223-F226 PolarHBondContact O-N 3.41Å; F226-L229 WeakPolarHBondContact O-CB 3.24Å; F226-L229 PolarHBondContact O-N 2.85Å; F226-L230 HydrophobicContact CD1-CD1 4.01Å; F226-L230 HydrophobicContact CD2-CG 4.48Å; F226-L230 HydrophobicContact CE1-CD1 3.59Å; F226-L230 HydrophobicContact CE1-CG 4.35Å; F226-L230 HydrophobicContact CE2-CD1 4.3Å; F226-L230 HydrophobicContact CE2-CD2 4.32Å; F226-L230 HydrophobicContact CE2-CG 4.19Å; F226-L230 HydrophobicContact CZ-CD1 3.75Å; F226-L230 HydrophobicContact CZ-CD2 4.26Å; F226-L230 HydrophobicContact CZ-CG 4.12Å; F226-L230 WeakPolarHBondContact O-CG 3.35Å; F226-L230 PolarHBondContact O-N 3.38Å
227Y92.4Very high87.8Confident148 Ų14874.4 Ų74.458%0.5835%0.352SS*.Hα-helixtrans-59.7-48.3175.2172.6-100000112L223 I224 L229 L230 R231L223-Y227 WeakPolarHBondContact O-CB 3.38Å; L223-Y227 PolarHBondContact O-N 3.47Å; I224-Y227 PolarHBondContact O-N 3.21Å; Y227-L229 VanDerWaalsContact C-N 3.29Å; Y227-L229 PolarHBondContact O-N 3.39Å; Y227-L230 PolarHBondContact O-N 2.86Å; Y227-R231 WeakPolarHBondContact O-CB 2.98Å; Y227-R231 PolarHBondContact O-N 3.22Å
228R90.3Very high85.4Confident102 Ų10274.7 Ų74.739%0.38536%0.361SS..Hα-helixtrans-59.5-40.4177.2-71.2-176.5-169.5168.48.1111.4E117 I224 Y225 A232E117-R228 IonicContact OE1-CZ 2.71Å; E117-R228 IonicContact OE1-NH1 3.63Å; E117-R228 PolarHBondContact OE1-NH1 3.12Å; E117-R228 VanDerWaalsContact OE1-NH1 3.13Å; E117-R228 IonicContact OE1-NH2 3.04Å; E117-R228 PolarHBondContact OE1-NH2 3.22Å; E117-R228 IonicContact OE2-CZ 3.88Å; E117-R228 IonicContact OE2-NH1 3.29Å; E117-R228 PolarHBondContact OE2-NH1 3.16Å; E117-R228 IonicContact OE2-NH2 3.82Å; I224-R228 WeakPolarHBondContact O-CG 3.5Å; I224-R228 PolarHBondContact O-N 3.02Å; Y225-R228 PolarHBondContact O-N 3.06Å; R228-A232 VanDerWaalsContact O-CB 3.27Å; R228-A232 WeakPolarHBondContact O-CB 3.47Å; R228-A232 PolarHBondContact O-N 3.29Å
229L88.4Confident83.1Confident14 Ų1484.1 Ų84.17%0.07340%0.395CS..Hα-helixtrans-64.2-51.6177.818073.4000111.5N179 Y183 Y225 F226 Y227 R231 A232 D233N179-L229 VanDerWaalsContact ND2-CD2 3.27Å; N179-L229 WeakPolarHBondContact ND2-CD2 3.26Å; Y183-L229 HydrophobicContact CD2-CD2 4.27Å; Y225-L229 WeakPolarHBondContact O-CB 3.28Å; Y225-L229 PolarHBondContact O-N 3.42Å; F226-L229 WeakPolarHBondContact O-CB 3.24Å; F226-L229 PolarHBondContact O-N 2.85Å; Y227-L229 VanDerWaalsContact C-N 3.29Å; Y227-L229 PolarHBondContact O-N 3.39Å; L229-R231 VanDerWaalsContact C-N 3.3Å; L229-R231 PolarHBondContact O-N 3.37Å; L229-A232 PolarHBondContact O-N 2.89Å; L229-D233 WeakPolarHBondContact CD1-OD2 3.46Å; L229-D233 WeakPolarHBondContact O-CB 3.32Å; L229-D233 PolarHBondContact O-N 3.17Å
230L88.6Confident80.4Confident50 Ų5085.7 Ų85.726%0.26241%0.413SS..Hα-helixtrans-58.7-44.2178.6-72.8178.6000111.4L180 F226 Y227 D233 F234 F235L180-L230 HydrophobicContact CD1-CD2 4.01Å; F226-L230 HydrophobicContact CD1-CD1 4.01Å; F226-L230 HydrophobicContact CD2-CG 4.48Å; F226-L230 HydrophobicContact CE1-CD1 3.59Å; F226-L230 HydrophobicContact CE1-CG 4.35Å; F226-L230 HydrophobicContact CE2-CD1 4.3Å; F226-L230 HydrophobicContact CE2-CD2 4.32Å; F226-L230 HydrophobicContact CE2-CG 4.19Å; F226-L230 HydrophobicContact CZ-CD1 3.75Å; F226-L230 HydrophobicContact CZ-CD2 4.26Å; F226-L230 HydrophobicContact CZ-CG 4.12Å; F226-L230 WeakPolarHBondContact O-CG 3.35Å; F226-L230 PolarHBondContact O-N 3.38Å; Y227-L230 PolarHBondContact O-N 2.86Å; L230-D233 PolarHBondContact O-N 3.16Å; L230-F234 HydrophobicContact CD2-CD2 4.01Å; L230-F234 HydrophobicContact CD2-CE2 4.18Å; L230-F234 WeakPolarHBondContact O-CB 3.04Å; L230-F234 PolarHBondContact O-N 3.19Å; L230-F235 PolarHBondContact O-N 2.96Å
231R87.7Confident77.5Confident112 Ų11289.5 Ų89.542%0.42343%0.426SS..Hα-helixtrans-61.7-46.2176.6-172.6-177.9179.1-1482.4111.8Y227 L229 D233 F235Y227-R231 WeakPolarHBondContact O-CB 2.98Å; Y227-R231 PolarHBondContact O-N 3.22Å; L229-R231 VanDerWaalsContact C-N 3.3Å; L229-R231 PolarHBondContact O-N 3.37Å; R231-D233 PolarHBondContact O-N 2.99Å; R231-F235 CarbonylContact O-C 3.05Å; R231-F235 WeakPolarHBondContact O-CA 3.29Å; R231-F235 PolarHBondContact O-N 2.93Å
232A82.3Confident75Confident54 Ų5495 Ų9545%0.44645%0.453SS..Hα-helixtrans-67.6-35.7-177.800000113.1R228 L229R228-A232 VanDerWaalsContact O-CB 3.27Å; R228-A232 WeakPolarHBondContact O-CB 3.47Å; R228-A232 PolarHBondContact O-N 3.29Å; L229-A232 PolarHBondContact O-N 2.89Å
233D82.1Confident72.4Confident16 Ų16102.7 Ų102.79%0.08649%0.489CS..Hα-helixtrans-96.1-33.9-171.9-78.3-16.4000113.7R158 Y172 K176 L229 L230 R231R158-D233 IonicContact CZ-OD1 2.83Å; R158-D233 IonicContact CZ-OD2 3.47Å; R158-D233 IonicContact NE-OD1 3.13Å; R158-D233 PolarHBondContact NE-OD1 2.94Å; R158-D233 IonicContact NE-OD2 3.33Å; R158-D233 PolarHBondContact NE-OD2 3.26Å; R158-D233 VanDerWaalsContact NH2-CG 3.3Å; R158-D233 IonicContact NH2-OD1 3.97Å; R158-D233 PolarHBondContact NH2-OD1 2.92Å; R158-D233 IonicContact NH2-OD2 3.91Å; R158-D233 PolarHBondContact NH2-OD2 3.2Å; Y172-D233 PolarHBondContact OH-OD1 3.48Å; K176-D233 HydrophobicContact CD-CB 3.84Å; K176-D233 HydrophobicContact CG-CB 4.17Å; K176-D233 PolarHBondContact NZ-O 3.21Å; L229-D233 WeakPolarHBondContact CD1-OD2 3.46Å; L229-D233 WeakPolarHBondContact O-CB 3.32Å; L229-D233 PolarHBondContact O-N 3.17Å; L230-D233 PolarHBondContact O-N 3.16Å; R231-D233 PolarHBondContact O-N 2.99Å
234F78.6Confident69.8Low78 Ų78105.7 Ų105.734%0.34250%0.5SS..Hα-helixtrans-113.5-22.7-174.2-62.8-86.1000114K176 F177 L180 L230 P236K176-F234 VanDerWaalsContact CE-CZ 3.49Å; F177-F234 HydrophobicContact CE1-CE1 4.26Å; L180-F234 HydrophobicContact CD2-CE2 3.96Å; L180-F234 HydrophobicContact CD2-CZ 3.79Å; L230-F234 HydrophobicContact CD2-CD2 4.01Å; L230-F234 HydrophobicContact CD2-CE2 4.18Å; L230-F234 WeakPolarHBondContact O-CB 3.04Å; L230-F234 PolarHBondContact O-N 3.19Å; F234-P236 WeakPolarHBondContact O-CD 3.29Å
235F79.8Confident67Low152 Ų152109.4 Ų109.467%0.66752%0.52SS*.SBendtrans-121.954177.3-55.4-79.4000112L230 R231 R237L230-F235 PolarHBondContact O-N 2.96Å; R231-F235 CarbonylContact O-C 3.05Å; R231-F235 WeakPolarHBondContact O-CA 3.29Å; R231-F235 PolarHBondContact O-N 2.93Å; F235-R237 PolarHBondContact O-N 3.34Å; F235-R237 VanDerWaalsContact O-N 3.1Å
236P70.5Confident64.3Low95 Ų95109.4 Ų109.462%0.61754%0.536SS*.PPolyproline II helixtrans-57.612417624.9-31.2000108.5F234 S238F234-P236 WeakPolarHBondContact O-CD 3.29Å; P236-S238 PolarHBondContact O-N 3.07Å
237R56.1Low61.8Low218 Ų218114.2 Ų114.282%0.82357%0.569SS**PPolyproline II helixtrans-53116.1170.2-110.9-179.7176.9170.1-2.6106.4F235 R239F235-R237 PolarHBondContact O-N 3.34Å; F235-R237 VanDerWaalsContact O-N 3.1Å; R237-R239 PolarHBondContact O-N 3.22Å; R237-R239 VanDerWaalsContact O-N 3.07Å
238S46.3Very low59.1Low90 Ų90114.8 Ų114.863%0.62958%0.577SS**PPolyproline II helixtrans-54.2119.9177.3-174.60000108.5P236 A240 H241P236-S238 PolarHBondContact O-N 3.07Å; S238-A240 PolarHBondContact O-N 2.95Å; S238-A240 WeakPolarHBondContact OG-CB 3.43Å; S238-A240 PolarHBondContact OG-N 2.86Å; S238-H241 PolarHBondContact O-N 3.16Å
239R47Very low56.5Low217 Ų217116 Ų11682%0.81959%0.591SS**G310 helixtrans-58.1-14.1174.9-122.3-178.3-176-178-0.4112.1R237 H241 M242R237-R239 PolarHBondContact O-N 3.22Å; R237-R239 VanDerWaalsContact O-N 3.07Å; R239-H241 PolarHBondContact O-N 3.04Å; R239-H241 VanDerWaalsContact O-N 3.14Å; R239-M242 PolarHBondContact O-N 3.47Å
240A40.1Very low53.8Low69 Ų69122.2 Ų122.257%0.5763%0.625SS**G310 helixtrans-59.8-21178.500000114.4S238S238-A240 PolarHBondContact O-N 2.95Å; S238-A240 WeakPolarHBondContact OG-CB 3.43Å; S238-A240 PolarHBondContact OG-N 2.86Å
241H36.5Very low51.3Low152 Ų152126.9 Ų126.970%0.70466%0.655SS**G310 helixtrans-94.3-4-178.7-135.7-59.3000114.8S238 R239S238-H241 PolarHBondContact O-N 3.16Å; R239-H241 PolarHBondContact O-N 3.04Å; R239-H241 VanDerWaalsContact O-N 3.14Å
242M41Very low48.6Very low144 Ų144131.5 Ų131.571%0.70968%0.678SS**THydrogen-bonded Turntrans-102.3-19175.9-80.2-162.682.600114.2R239 Q244R239-M242 PolarHBondContact O-N 3.47Å; M242-Q244 VanDerWaalsContact C-N 3.31Å
243E40.5Very low46.4Very low175 Ų175137.4 Ų137.482%0.81869%0.693SS**THydrogen-bonded Turntrans-77.1-15.8176.7-79.8-179.8167.200113.5
244Q39.4Very low44Very low168 Ų168145.6 Ų145.679%0.78573%0.729SS**THydrogen-bonded Turntrans-88.6-10.5174.3-87.3-174.7-21.500115M242M242-Q244 VanDerWaalsContact C-N 3.31Å
245N36Very low41.8Very low149 Ų149149.2 Ų149.280%0.79775%0.751SS**SBendtrans-133.925.5-167.5-105.15.6000115.6
246G34.7Very low39.5Very low53 Ų53146.1 Ų146.155%0.54675%0.754SS.*  trans-152.138.1-169.900000117.2H248G246-H248 PolarHBondContact O-N 2.98Å
247T39Very low37.6Very low143 Ų143153.3 Ų153.388%0.87778%0.779SS**SBendtrans-60.8123.7150.81.20000107.5
248H36.6Very low36.7Very low159 Ų159150.1 Ų150.174%0.73678%0.777SS**SBendtrans79.4117.6178.8-87-80.8000119.2G246G246-H248 PolarHBondContact O-N 2.98Å
249N36.4Very low36.2Very low129 Ų129153.3 Ų153.369%0.6978%0.784SS**  trans68.190148.1-56.9-12.9000116.7
250N31.8Very low35.6Very low144 Ų144149.7 Ų149.777%0.7778%0.783SS**  trans178.961.8134.1-93.5-47000113.4K252N250-K252 PolarHBondContact O-N 3.39Å
251V34.5Very low35.3Very low148 Ų148154.5 Ų154.590%0.89780%0.795SS**G310 helixtrans-69.5-9.9172.6172.40000112.9
252K32.2Very low35.2Very low208 Ų208154.6 Ų154.690%0.90480%0.801SS**G310 helixtrans-86.8-4.7-173.3-81.1-173.2174.5-178.40116.7N250N250-K252 PolarHBondContact O-N 3.39Å
253K34.9Very low34.9Very low178 Ų178155.3 Ų155.377%0.77481%0.807SS**G310 helixtrans-99.4-2-170.2-143.3177.2-179.3-178.60116
254F32.9Very low34.4Very low188 Ų188153.9 Ų153.983%0.82581%0.806SS**THydrogen-bonded Turntrans-95.68.6-169.1-124.1-84.1000116.3
255L31Very low34.1Very low154 Ų154152.8 Ų152.881%0.80681%0.808SS**THydrogen-bonded Turntrans-111.58.4179.3-71.1174.8000114.4
256A31.3Very low33.9Very low88 Ų88153.2 Ų153.273%0.72781%0.809SS**  trans-132.448.9-176.300000112.8
257E31.6Very low33.8Very low246 Ų246162.3 Ų162.3100%1.1583%0.832SS**  trans-147.30159.3-69.3-169.4170.700111.3

Retrieved 257 of 257 residues in 955.8 ms (Link to these results)