A0A3Q0KQ04_SCHMA Loading...

Putative otopetrin

AlphaFold DB , UniProt , Accession A0A3Q0KQ04, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 998 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47Very low59.9Low175 Ų175129.8 Ų129.886%0.86261%0.612SS**  0-80.10-73.9-164.1-77.800113.6N3 E4 I5M1-N3 PolarHBondContact O-N 2.98Å; M1-E4 VanDerWaalsContact CA-OE2 3.25Å; M1-E4 WeakPolarHBondContact CA-OE2 3.47Å; M1-E4 PolarHBondContact N-OE2 3.23Å; M1-E4 WeakPolarHBondContact O-CA 3.43Å; M1-E4 WeakPolarHBondContact O-CB 3.25Å; M1-E4 PolarHBondContact O-N 3.25Å; M1-I5 WeakPolarHBondContact O-CG1 3.27Å; M1-I5 PolarHBondContact O-N 3.18Å
2Q41Very low60.6Low168 Ų168126.6 Ų126.679%0.78560%0.6SS**Hα-helixtrans-56.6-45.3-164.5-146.1176.114.300114.3E4 I5 T6Q2-E4 PolarHBondContact O-N 2.93Å; Q2-I5 PolarHBondContact O-N 3.4Å; Q2-T6 PolarHBondContact O-N 3Å; Q2-T6 PolarHBondContact O-OG1 2.85Å; Q2-T6 VanDerWaalsContact O-OG1 3.09Å
3N55.5Low60.5Low132 Ų132125.5 Ų125.571%0.70659%0.592SS**Hα-helixtrans-63.9-36.1173-90.2-5.9000113.8M1 T6 I7M1-N3 PolarHBondContact O-N 2.98Å; N3-T6 PolarHBondContact O-N 3.37Å; N3-I7 WeakPolarHBondContact O-CB 3.36Å; N3-I7 WeakPolarHBondContact O-CD1 3.36Å; N3-I7 WeakPolarHBondContact O-CG1 3.38Å; N3-I7 PolarHBondContact O-N 2.67Å
4E68.6Low60.4Low128 Ų128122 Ų12260%0.59859%0.585SS**Hα-helixtrans-69.6-39.4178.2-64.4162.2117.400111.2M1 Q2 T6 I7 E8M1-E4 VanDerWaalsContact CA-OE2 3.25Å; M1-E4 WeakPolarHBondContact CA-OE2 3.47Å; M1-E4 PolarHBondContact N-OE2 3.23Å; M1-E4 WeakPolarHBondContact O-CA 3.43Å; M1-E4 WeakPolarHBondContact O-CB 3.25Å; M1-E4 PolarHBondContact O-N 3.25Å; Q2-E4 PolarHBondContact O-N 2.93Å; E4-T6 VanDerWaalsContact C-N 3.35Å; E4-I7 PolarHBondContact O-N 3.31Å; E4-E8 PolarHBondContact O-N 3.29Å
5I63.9Low60.8Low97 Ų97123.2 Ų123.250%0.49759%0.587SS.*Hα-helixtrans-61.2-45.8173-65.7167000109.6M1 Q2 I7 E8 I9M1-I5 WeakPolarHBondContact O-CG1 3.27Å; M1-I5 PolarHBondContact O-N 3.18Å; Q2-I5 PolarHBondContact O-N 3.4Å; I5-I7 PolarHBondContact O-N 3.18Å; I5-E8 PolarHBondContact O-N 2.78Å; I5-I9 HydrophobicContact CG2-CD1 3.74Å; I5-I9 HydrophobicContact CG2-CG1 4.41Å; I5-I9 WeakPolarHBondContact O-CB 3.14Å; I5-I9 VanDerWaalsContact O-CG1 3.23Å; I5-I9 WeakPolarHBondContact O-CG1 3.44Å; I5-I9 PolarHBondContact O-N 3.15Å
6T58.5Low60.9Low79 Ų79121.4 Ų121.449%0.48557%0.572SS.*Hα-helixtrans-61.8-40.4174.8-58.30000112.3Q2 N3 E4 R10Q2-T6 PolarHBondContact O-N 3Å; Q2-T6 PolarHBondContact O-OG1 2.85Å; Q2-T6 VanDerWaalsContact O-OG1 3.09Å; N3-T6 PolarHBondContact O-N 3.37Å; E4-T6 VanDerWaalsContact C-N 3.35Å; T6-R10 VanDerWaalsContact O-CB 3.32Å; T6-R10 WeakPolarHBondContact O-CB 3.17Å; T6-R10 PolarHBondContact O-N 3.3Å
7I67.8Low60.5Low108 Ų108118.5 Ų118.555%0.55456%0.561SS**Hα-helixtrans-66.3-47.3177.7-73.4163.4000111.2N3 E4 I5 R10 R11N3-I7 WeakPolarHBondContact O-CB 3.36Å; N3-I7 WeakPolarHBondContact O-CD1 3.36Å; N3-I7 WeakPolarHBondContact O-CG1 3.38Å; N3-I7 PolarHBondContact O-N 2.67Å; E4-I7 PolarHBondContact O-N 3.31Å; I5-I7 PolarHBondContact O-N 3.18Å; I7-R10 CarbonylContact O-C 3.58Å; I7-R10 PolarHBondContact O-N 3.13Å; I7-R11 WeakPolarHBondContact O-CB 3.48Å; I7-R11 PolarHBondContact O-N 3.27Å
8E67.3Low60.5Low73 Ų73114.5 Ų114.534%0.34155%0.551SS.*Hα-helixtrans-68.4-38.1177.6-82.2-58.7143.800112.2E4 I5 R10 R11 I12E4-E8 PolarHBondContact O-N 3.29Å; I5-E8 PolarHBondContact O-N 2.78Å; E8-R10 VanDerWaalsContact C-N 3.29Å; E8-R10 PolarHBondContact O-N 3.47Å; E8-R11 CarbonylContact O-C 3.58Å; E8-R11 PolarHBondContact O-N 3.39Å; E8-R11 VanDerWaalsContact O-N 3.1Å; E8-R11 WeakPolarHBondContact OE1-CD 3.13Å; E8-R11 IonicContact OE1-CZ 2.71Å; E8-R11 IonicContact OE1-NE 3.59Å; E8-R11 IonicContact OE1-NH1 2.93Å; E8-R11 PolarHBondContact OE1-NH1 2.97Å; E8-R11 WeakPolarHBondContact OE2-CD 3.29Å; E8-R11 IonicContact OE2-NH1 3.84Å; E8-I12 HydrophobicContact CB-CD1 4.25Å; E8-I12 VanDerWaalsContact O-CB 3.25Å; E8-I12 WeakPolarHBondContact O-CB 3.15Å; E8-I12 WeakPolarHBondContact O-CD1 3.4Å; E8-I12 WeakPolarHBondContact O-CG1 3.4Å; E8-I12 PolarHBondContact O-N 3.43Å
9I57.5Low60.8Low103 Ų103117 Ų11753%0.52856%0.559SS.*Hα-helixtrans-57.1-45169.3-71.5169.4000110.1I5 R11 I12 F13I5-I9 HydrophobicContact CG2-CD1 3.74Å; I5-I9 HydrophobicContact CG2-CG1 4.41Å; I5-I9 WeakPolarHBondContact O-CB 3.14Å; I5-I9 VanDerWaalsContact O-CG1 3.23Å; I5-I9 WeakPolarHBondContact O-CG1 3.44Å; I5-I9 PolarHBondContact O-N 3.15Å; I9-R11 VanDerWaalsContact C-N 3.27Å; I9-R11 PolarHBondContact O-N 2.67Å; I9-I12 PolarHBondContact O-N 3.37Å; I9-F13 WeakPolarHBondContact O-CB 3.04Å; I9-F13 PolarHBondContact O-N 3.26Å
10R64.2Low60.4Low210 Ų210113.5 Ų113.579%0.79254%0.543SS*.Hα-helixtrans-68.4-23178.4-148.7174.9-160.7172.45.6113.5T6 I7 E8 P14T6-R10 VanDerWaalsContact O-CB 3.32Å; T6-R10 WeakPolarHBondContact O-CB 3.17Å; T6-R10 PolarHBondContact O-N 3.3Å; I7-R10 CarbonylContact O-C 3.58Å; I7-R10 PolarHBondContact O-N 3.13Å; E8-R10 VanDerWaalsContact C-N 3.29Å; E8-R10 PolarHBondContact O-N 3.47Å; R10-P14 WeakPolarHBondContact O-CD 2.95Å; R10-P14 WeakPolarHBondContact O-CG 3.29Å
11R67.7Low60.3Low155 Ų155113.4 Ų113.459%0.58555%0.545SS*.Hα-helixtrans-86.9-33.2176.8-166.7-170.9-170.6-162.11.3112.9I7 E8 I9I7-R11 WeakPolarHBondContact O-CB 3.48Å; I7-R11 PolarHBondContact O-N 3.27Å; E8-R11 CarbonylContact O-C 3.58Å; E8-R11 PolarHBondContact O-N 3.39Å; E8-R11 VanDerWaalsContact O-N 3.1Å; E8-R11 WeakPolarHBondContact OE1-CD 3.13Å; E8-R11 IonicContact OE1-CZ 2.71Å; E8-R11 IonicContact OE1-NE 3.59Å; E8-R11 IonicContact OE1-NH1 2.93Å; E8-R11 PolarHBondContact OE1-NH1 2.97Å; E8-R11 WeakPolarHBondContact OE2-CD 3.29Å; E8-R11 IonicContact OE2-NH1 3.84Å; I9-R11 VanDerWaalsContact C-N 3.27Å; I9-R11 PolarHBondContact O-N 2.67Å
12I68.4Low61.2Low91 Ų91109.9 Ų109.947%0.46753%0.529SS..Hα-helixtrans-85.1-44.2-179.6-67.4165.8000110.3E8 I9 K15 W16E8-I12 HydrophobicContact CB-CD1 4.25Å; E8-I12 VanDerWaalsContact O-CB 3.25Å; E8-I12 WeakPolarHBondContact O-CB 3.15Å; E8-I12 WeakPolarHBondContact O-CD1 3.4Å; E8-I12 WeakPolarHBondContact O-CG1 3.4Å; E8-I12 PolarHBondContact O-N 3.43Å; I9-I12 PolarHBondContact O-N 3.37Å; I12-K15 CarbonylContact O-C 3.48Å; I12-K15 WeakPolarHBondContact O-CA 3.32Å; I12-K15 WeakPolarHBondContact O-CB 3.44Å; I12-K15 PolarHBondContact O-N 2.78Å; I12-W16 HydrophobicContact CG2-CB 4.3Å; I12-W16 WeakPolarHBondContact O-CB 3.39Å; I12-W16 PolarHBondContact O-N 3.01Å
13F58.6Low61.9Low113 Ų113103.1 Ų103.150%0.49650%0.504SS..Hα-helixtrans-54.1-43.3-173.2-174.5-93.7000114.1I9 K15 W16 L17I9-F13 WeakPolarHBondContact O-CB 3.04Å; I9-F13 PolarHBondContact O-N 3.26Å; F13-K15 PolarHBondContact O-N 3.23Å; F13-W16 HydrophobicContact CD2-CE3 4.2Å; F13-W16 HydrophobicContact CD2-CZ3 4.49Å; F13-W16 HydrophobicContact CE2-CE3 4.23Å; F13-W16 HydrophobicContact CE2-CZ3 4.11Å; F13-W16 PolarHBondContact O-N 2.71Å; F13-L17 HydrophobicContact CE1-CD2 4.37Å; F13-L17 VanDerWaalsContact O-CB 3.25Å; F13-L17 WeakPolarHBondContact O-CB 3.41Å; F13-L17 PolarHBondContact O-N 2.96Å
14P59.4Low61.8Low76 Ų76103.7 Ų103.749%0.49450%0.501SS..Hα-helixtrans-65.5-36.7175.3-2133.9000112.9R10 A18R10-P14 WeakPolarHBondContact O-CD 2.95Å; R10-P14 WeakPolarHBondContact O-CG 3.29Å; P14-A18 VanDerWaalsContact O-CB 3.3Å; P14-A18 WeakPolarHBondContact O-CB 3.34Å; P14-A18 PolarHBondContact O-N 2.85Å
15K66.6Low61.1Low140 Ų140103.3 Ų103.361%0.60949%0.494SS*.Hα-helixtrans-72.9-34.3177.1-61.4-176.6180-175.10111.9I12 F13 K19I12-K15 CarbonylContact O-C 3.48Å; I12-K15 WeakPolarHBondContact O-CA 3.32Å; I12-K15 WeakPolarHBondContact O-CB 3.44Å; I12-K15 PolarHBondContact O-N 2.78Å; F13-K15 PolarHBondContact O-N 3.23Å; K15-K19 WeakPolarHBondContact O-CB 3.41Å; K15-K19 WeakPolarHBondContact O-CG 3.15Å; K15-K19 PolarHBondContact O-N 3.27Å
16W62.1Low60.6Low95 Ų95105.4 Ų105.436%0.3650%0.504SS..Hα-helixtrans-71.8-43.8175.5-179.584.4000110.7I12 F13 K19 L20 F95 I99I12-W16 HydrophobicContact CG2-CB 4.3Å; I12-W16 WeakPolarHBondContact O-CB 3.39Å; I12-W16 PolarHBondContact O-N 3.01Å; F13-W16 HydrophobicContact CD2-CE3 4.2Å; F13-W16 HydrophobicContact CD2-CZ3 4.49Å; F13-W16 HydrophobicContact CE2-CE3 4.23Å; F13-W16 HydrophobicContact CE2-CZ3 4.11Å; F13-W16 PolarHBondContact O-N 2.71Å; W16-K19 CarbonylContact O-C 3.55Å; W16-K19 PolarHBondContact O-N 2.9Å; W16-L20 HydrophobicContact CE3-CD1 4.31Å; W16-L20 HydrophobicContact CH2-CD1 3.65Å; W16-L20 HydrophobicContact CZ2-CD1 4.12Å; W16-L20 HydrophobicContact CZ3-CD1 3.74Å; W16-L20 WeakPolarHBondContact O-CB 3.48Å; W16-L20 PolarHBondContact O-N 3.01Å; W16-F95 HydrophobicContact CH2-CE2 4.1Å; W16-F95 AromaticContact CH2-CZ 3.9Å; W16-F95 HydrophobicContact CH2-CZ 3.9Å; W16-F95 AromaticContact CZ2-CE2 3.62Å; W16-F95 HydrophobicContact CZ2-CE2 3.62Å; W16-F95 AromaticContact CZ2-CZ 3.69Å; W16-F95 HydrophobicContact CZ2-CZ 3.69Å; W16-I99 HydrophobicContact CZ2-CD1 3.93Å
17L54.9Low60.4Low72 Ų72105.9 Ų105.938%0.37750%0.502SS..Hα-helixtrans-62.8-42.2172.9-17664.5000111.7F13 L20 L21F13-L17 HydrophobicContact CE1-CD2 4.37Å; F13-L17 VanDerWaalsContact O-CB 3.25Å; F13-L17 WeakPolarHBondContact O-CB 3.41Å; F13-L17 PolarHBondContact O-N 2.96Å; L17-L20 WeakPolarHBondContact O-CB 3.32Å; L17-L20 PolarHBondContact O-N 2.86Å; L17-L20 VanDerWaalsContact O-N 3.16Å; L17-L21 HydrophobicContact CG-CD1 4.48Å; L17-L21 WeakPolarHBondContact O-CG 3.26Å; L17-L21 PolarHBondContact O-N 2.98Å
18A60Low59.8Low46 Ų46104.2 Ų104.238%0.3849%0.493SS..Hα-helixtrans-60.8-43.917200000111.8P14 L20 L21 I22P14-A18 VanDerWaalsContact O-CB 3.3Å; P14-A18 WeakPolarHBondContact O-CB 3.34Å; P14-A18 PolarHBondContact O-N 2.85Å; A18-L20 VanDerWaalsContact C-N 3.31Å; A18-L20 PolarHBondContact O-N 3.36Å; A18-L21 PolarHBondContact O-N 2.85Å; A18-I22 WeakPolarHBondContact O-CB 3.41Å; A18-I22 WeakPolarHBondContact O-CD1 2.99Å; A18-I22 WeakPolarHBondContact O-CG1 3.33Å; A18-I22 PolarHBondContact O-N 2.96Å
19K66.2Low58.9Low162 Ų162103.7 Ų103.770%0.70450%0.496SS*.Hα-helixtrans-65.4-29.3172.8-79.3-176.5173.9-1680113.7K15 W16 G23K15-K19 WeakPolarHBondContact O-CB 3.41Å; K15-K19 WeakPolarHBondContact O-CG 3.15Å; K15-K19 PolarHBondContact O-N 3.27Å; W16-K19 CarbonylContact O-C 3.55Å; W16-K19 PolarHBondContact O-N 2.9Å; K19-G23 WeakPolarHBondContact O-CA 3.16Å; K19-G23 PolarHBondContact O-N 3.32Å
20L52.9Low58.5Low46 Ų46102.3 Ų102.324%0.24150%0.495CS..Hα-helixtrans-71.6-43.9176.2-170.3163.3000110.2W16 L17 A18 G23 F24 F95W16-L20 HydrophobicContact CE3-CD1 4.31Å; W16-L20 HydrophobicContact CH2-CD1 3.65Å; W16-L20 HydrophobicContact CZ2-CD1 4.12Å; W16-L20 HydrophobicContact CZ3-CD1 3.74Å; W16-L20 WeakPolarHBondContact O-CB 3.48Å; W16-L20 PolarHBondContact O-N 3.01Å; L17-L20 WeakPolarHBondContact O-CB 3.32Å; L17-L20 PolarHBondContact O-N 2.86Å; L17-L20 VanDerWaalsContact O-N 3.16Å; A18-L20 VanDerWaalsContact C-N 3.31Å; A18-L20 PolarHBondContact O-N 3.36Å; L20-G23 PolarHBondContact O-N 3.04Å; L20-F24 HydrophobicContact CD2-CD2 4.06Å; L20-F24 HydrophobicContact CD2-CE2 4.45Å; L20-F24 PolarHBondContact O-N 2.91Å; L20-F95 HydrophobicContact CD1-CE2 3.74Å; L20-F95 HydrophobicContact CD1-CZ 4.19Å; L20-F95 HydrophobicContact CG-CE2 4.2Å
21L57.4Low58Low112 Ų11295.3 Ų95.359%0.58647%0.473SS*.Hα-helixtrans-64.6-42.9173.3-67.7169.4000111.9L17 A18 G23 F24 Y25L17-L21 HydrophobicContact CG-CD1 4.48Å; L17-L21 WeakPolarHBondContact O-CG 3.26Å; L17-L21 PolarHBondContact O-N 2.98Å; A18-L21 PolarHBondContact O-N 2.85Å; L21-G23 VanDerWaalsContact C-N 3.32Å; L21-F24 PolarHBondContact O-N 2.62Å; L21-Y25 WeakPolarHBondContact O-CB 3.32Å; L21-Y25 PolarHBondContact O-N 2.76Å
22I67.1Low57.1Low102 Ų10291.2 Ų91.252%0.52346%0.46SS..Hα-helixtrans-65.8-35.5173-67.1163.4000111A18 Y25 M26A18-I22 WeakPolarHBondContact O-CB 3.41Å; A18-I22 WeakPolarHBondContact O-CD1 2.99Å; A18-I22 WeakPolarHBondContact O-CG1 3.33Å; A18-I22 PolarHBondContact O-N 2.96Å; I22-Y25 WeakPolarHBondContact O-CB 3.4Å; I22-Y25 PolarHBondContact O-N 3.47Å; I22-M26 HydrophobicContact CG2-CG 4.38Å; I22-M26 WeakPolarHBondContact O-CB 3.23Å; I22-M26 VanDerWaalsContact O-CG 3.25Å; I22-M26 WeakPolarHBondContact O-CG 3.28Å; I22-M26 PolarHBondContact O-N 3.39Å
23G55.6Low56.4Low25 Ų2593.9 Ų93.926%0.25847%0.47SS..Hα-helixtrans-62.9-47.417300000111.8K19 L20 L21 Y25 M26 I27K19-G23 WeakPolarHBondContact O-CA 3.16Å; K19-G23 PolarHBondContact O-N 3.32Å; L20-G23 PolarHBondContact O-N 3.04Å; L21-G23 VanDerWaalsContact C-N 3.32Å; G23-Y25 VanDerWaalsContact C-N 3.33Å; G23-Y25 PolarHBondContact O-N 3.22Å; G23-M26 PolarHBondContact O-N 2.86Å; G23-M26 VanDerWaalsContact O-N 3.15Å; G23-I27 WeakPolarHBondContact O-CB 3.31Å; G23-I27 WeakPolarHBondContact O-CD1 3.37Å; G23-I27 WeakPolarHBondContact O-CG1 3.33Å; G23-I27 PolarHBondContact O-N 3.44Å
24F53.6Low56.1Low145 Ų14598 Ų9864%0.63648%0.482SS*.Hα-helixtrans-57.9-43.8173.1-110.5-94.4000112.2L20 L21 M26 I27 M28L20-F24 HydrophobicContact CD2-CD2 4.06Å; L20-F24 HydrophobicContact CD2-CE2 4.45Å; L20-F24 PolarHBondContact O-N 2.91Å; L21-F24 PolarHBondContact O-N 2.62Å; F24-M26 PolarHBondContact O-N 3.41Å; F24-I27 PolarHBondContact O-N 2.87Å; F24-M28 PolarHBondContact O-N 3Å; F24-M28 VanDerWaalsContact O-N 3.08Å
25Y53.4Low55.9Low120 Ų12095.5 Ų95.547%0.47147%0.466SS..Hα-helixtrans-57.5-46.5173.5-175.8-66.6000111.5L21 I22 G23 M28 F32L21-Y25 WeakPolarHBondContact O-CB 3.32Å; L21-Y25 PolarHBondContact O-N 2.76Å; I22-Y25 WeakPolarHBondContact O-CB 3.4Å; I22-Y25 PolarHBondContact O-N 3.47Å; G23-Y25 VanDerWaalsContact C-N 3.33Å; G23-Y25 PolarHBondContact O-N 3.22Å; Y25-M28 CarbonylContact O-C 3.57Å; Y25-F32 HydrophobicContact CD2-CB 4.39Å; Y25-F32 AromaticContact CD2-CD1 3.62Å; Y25-F32 HydrophobicContact CD2-CD1 3.62Å; Y25-F32 AromaticContact CD2-CD2 3.59Å; Y25-F32 HydrophobicContact CD2-CD2 3.59Å; Y25-F32 AromaticContact CD2-CE1 3.75Å; Y25-F32 HydrophobicContact CD2-CE1 3.75Å; Y25-F32 AromaticContact CD2-CE2 3.7Å; Y25-F32 HydrophobicContact CD2-CE2 3.7Å; Y25-F32 AromaticContact CD2-CG 3.56Å; Y25-F32 HydrophobicContact CD2-CG 3.56Å; Y25-F32 AromaticContact CD2-CZ 3.78Å; Y25-F32 HydrophobicContact CD2-CZ 3.78Å; Y25-F32 HydrophobicContact CE2-CB 4.48Å; Y25-F32 AromaticContact CE2-CD1 3.21Å; Y25-F32 HydrophobicContact CE2-CD1 3.21Å; Y25-F32 HydrophobicContact CE2-CD2 4.11Å; Y25-F32 AromaticContact CE2-CE1 3.32Å; Y25-F32 HydrophobicContact CE2-CE1 3.32Å; Y25-F32 HydrophobicContact CE2-CE2 4.18Å; Y25-F32 AromaticContact CE2-CG 3.65Å; Y25-F32 HydrophobicContact CE2-CG 3.65Å; Y25-F32 AromaticContact CE2-CZ 3.82Å; Y25-F32 HydrophobicContact CE2-CZ 3.82Å; Y25-F32 HydrophobicContact CG-CD2 4.23Å; Y25-F32 HydrophobicContact CG-CG 4.19Å; Y25-F32 AromaticContact CZ-CD1 3.85Å
26M53.2Low55.4Low141 Ų14191.2 Ų91.270%0.69545%0.453SS*.Hα-helixtrans-75.7-25.3-178-68.1-131.971.200114.3I22 G23 F24I22-M26 HydrophobicContact CG2-CG 4.38Å; I22-M26 WeakPolarHBondContact O-CB 3.23Å; I22-M26 VanDerWaalsContact O-CG 3.25Å; I22-M26 WeakPolarHBondContact O-CG 3.28Å; I22-M26 PolarHBondContact O-N 3.39Å; G23-M26 PolarHBondContact O-N 2.86Å; G23-M26 VanDerWaalsContact O-N 3.15Å; F24-M26 PolarHBondContact O-N 3.41Å
27I54.6Low55.1Low88 Ų8890.7 Ų90.745%0.45146%0.462SS..Hα-helixtrans-83-28.9178.3-68.4164.7000111.3G23 F24 P29G23-I27 WeakPolarHBondContact O-CB 3.31Å; G23-I27 WeakPolarHBondContact O-CD1 3.37Å; G23-I27 WeakPolarHBondContact O-CG1 3.33Å; G23-I27 PolarHBondContact O-N 3.44Å; F24-I27 PolarHBondContact O-N 2.87Å; I27-P29 WeakPolarHBondContact O-CD 3.22Å
28M55.6Low54.9Low74 Ų7490.8 Ų90.837%0.36546%0.462SS..  trans-124.256.3179.1-70.7-69.5144.900113.4F24 Y25 S30 I31 F32F24-M28 PolarHBondContact O-N 3Å; F24-M28 VanDerWaalsContact O-N 3.08Å; Y25-M28 CarbonylContact O-C 3.57Å; M28-S30 PolarHBondContact O-N 2.96Å; M28-I31 HydrophobicContact CB-CB 4.21Å; M28-I31 HydrophobicContact CB-CD1 4.04Å; M28-I31 HydrophobicContact CB-CG1 4.16Å; M28-I31 HydrophobicContact CG-CD1 4.11Å; M28-I31 PolarHBondContact O-N 3.37Å; M28-I31 VanDerWaalsContact O-N 3.08Å; M28-I31 HydrophobicContact SD-CD1 3.98Å; M28-I31 HydrophobicContact SD-CG1 4.42Å; M28-F32 PolarHBondContact O-N 3.06Å
29P47.4Very low54.4Low61 Ų6192.2 Ų92.240%0.39646%0.463SS..Hα-helixtrans-62.8-32179.327.5-34.8000111.9I27 I31 F32 E33I27-P29 WeakPolarHBondContact O-CD 3.22Å; P29-I31 PolarHBondContact O-N 3.33Å; P29-F32 PolarHBondContact O-N 3.41Å; P29-F32 VanDerWaalsContact O-N 3.15Å; P29-E33 WeakPolarHBondContact O-CB 3.45Å; P29-E33 WeakPolarHBondContact O-CG 3.47Å; P29-E33 PolarHBondContact O-N 3.09Å
30S49.7Very low53.9Low74 Ų7490.2 Ų90.252%0.51746%0.46SS..Hα-helixtrans-64.2-24.6175.554.30000114.1M28 R34M28-S30 PolarHBondContact O-N 2.96Å; S30-R34 WeakPolarHBondContact O-CD 3.19Å; S30-R34 WeakPolarHBondContact O-CG 3.49Å
31I53.1Low53.9Low63 Ų6389.1 Ų89.132%0.32346%0.459SS..Hα-helixtrans-83.2-47.5170-57.6-177.9000108.8M28 P29 E33 R34 V35M28-I31 HydrophobicContact CB-CB 4.21Å; M28-I31 HydrophobicContact CB-CD1 4.04Å; M28-I31 HydrophobicContact CB-CG1 4.16Å; M28-I31 HydrophobicContact CG-CD1 4.11Å; M28-I31 PolarHBondContact O-N 3.37Å; M28-I31 VanDerWaalsContact O-N 3.08Å; M28-I31 HydrophobicContact SD-CD1 3.98Å; M28-I31 HydrophobicContact SD-CG1 4.42Å; P29-I31 PolarHBondContact O-N 3.33Å; I31-E33 PolarHBondContact O-N 3.24Å; I31-R34 PolarHBondContact O-N 3.09Å; I31-V35 HydrophobicContact CG2-CG2 4.04Å; I31-V35 WeakPolarHBondContact O-CB 3.42Å; I31-V35 VanDerWaalsContact O-CG2 3.29Å; I31-V35 WeakPolarHBondContact O-CG2 3.41Å; I31-V35 PolarHBondContact O-N 3.24Å
32F49.8Very low53.5Low69 Ų6985 Ų8530%0.30344%0.438SS..Hα-helixtrans-69.2-33.8-175-145.2-75.3000113.8Y25 M28 P29 R34 V35 S36Y25-F32 HydrophobicContact CD2-CB 4.39Å; Y25-F32 AromaticContact CD2-CD1 3.62Å; Y25-F32 HydrophobicContact CD2-CD1 3.62Å; Y25-F32 AromaticContact CD2-CD2 3.59Å; Y25-F32 HydrophobicContact CD2-CD2 3.59Å; Y25-F32 AromaticContact CD2-CE1 3.75Å; Y25-F32 HydrophobicContact CD2-CE1 3.75Å; Y25-F32 AromaticContact CD2-CE2 3.7Å; Y25-F32 HydrophobicContact CD2-CE2 3.7Å; Y25-F32 AromaticContact CD2-CG 3.56Å; Y25-F32 HydrophobicContact CD2-CG 3.56Å; Y25-F32 AromaticContact CD2-CZ 3.78Å; Y25-F32 HydrophobicContact CD2-CZ 3.78Å; Y25-F32 HydrophobicContact CE2-CB 4.48Å; Y25-F32 AromaticContact CE2-CD1 3.21Å; Y25-F32 HydrophobicContact CE2-CD1 3.21Å; Y25-F32 HydrophobicContact CE2-CD2 4.11Å; Y25-F32 AromaticContact CE2-CE1 3.32Å; Y25-F32 HydrophobicContact CE2-CE1 3.32Å; Y25-F32 HydrophobicContact CE2-CE2 4.18Å; Y25-F32 AromaticContact CE2-CG 3.65Å; Y25-F32 HydrophobicContact CE2-CG 3.65Å; Y25-F32 AromaticContact CE2-CZ 3.82Å; Y25-F32 HydrophobicContact CE2-CZ 3.82Å; Y25-F32 HydrophobicContact CG-CD2 4.23Å; Y25-F32 HydrophobicContact CG-CG 4.19Å; Y25-F32 AromaticContact CZ-CD1 3.85Å; M28-F32 PolarHBondContact O-N 3.06Å; P29-F32 PolarHBondContact O-N 3.41Å; P29-F32 VanDerWaalsContact O-N 3.15Å; F32-R34 VanDerWaalsContact C-N 3.29Å; F32-R34 PolarHBondContact O-N 3.41Å; F32-V35 PolarHBondContact O-N 3.2Å; F32-S36 WeakPolarHBondContact O-CA 3.5Å; F32-S36 WeakPolarHBondContact O-CB 3.23Å; F32-S36 PolarHBondContact O-N 3.39Å
33E53.6Low52.7Low148 Ų14889.4 Ų89.469%0.69245%0.454SS*.Hα-helixtrans-67.2-28.7173.5-74-175.1148.700112.8P29 I31 P37P29-E33 WeakPolarHBondContact O-CB 3.45Å; P29-E33 WeakPolarHBondContact O-CG 3.47Å; P29-E33 PolarHBondContact O-N 3.09Å; I31-E33 PolarHBondContact O-N 3.24Å; E33-P37 WeakPolarHBondContact O-CD 3.4Å; E33-P37 WeakPolarHBondContact O-CG 3.22Å
34R52.3Low52.7Low198 Ų19893.9 Ų93.975%0.74747%0.471SS*.Hα-helixtrans-81.1-36.7173.2-68.6-179.4175.9-165.9-2.3111.8S30 I31 F32 I38S30-R34 WeakPolarHBondContact O-CD 3.19Å; S30-R34 WeakPolarHBondContact O-CG 3.49Å; I31-R34 PolarHBondContact O-N 3.09Å; F32-R34 VanDerWaalsContact C-N 3.29Å; F32-R34 PolarHBondContact O-N 3.41Å; R34-I38 VanDerWaalsContact O-CD1 3.25Å; R34-I38 WeakPolarHBondContact O-CD1 3.39Å; R34-I38 WeakPolarHBondContact O-CG1 3.34Å
35V55.5Low52.9Low25 Ų2596.5 Ų96.515%0.15248%0.478CS..Hα-helixtrans-81.7-28.6-177.9170.40000112.6I31 F32 I38 L39 L55I31-V35 HydrophobicContact CG2-CG2 4.04Å; I31-V35 WeakPolarHBondContact O-CB 3.42Å; I31-V35 VanDerWaalsContact O-CG2 3.29Å; I31-V35 WeakPolarHBondContact O-CG2 3.41Å; I31-V35 PolarHBondContact O-N 3.24Å; F32-V35 PolarHBondContact O-N 3.2Å; V35-I38 CarbonylContact O-C 3.53Å; V35-I38 WeakPolarHBondContact O-CB 3.48Å; V35-I38 PolarHBondContact O-N 3.28Å; V35-L39 HydrophobicContact CG1-CD1 3.63Å; V35-L39 HydrophobicContact CG1-CG 3.75Å; V35-L39 WeakPolarHBondContact O-CB 3.49Å; V35-L39 WeakPolarHBondContact O-CG 3.48Å; V35-L39 PolarHBondContact O-N 2.72Å; V35-L55 HydrophobicContact CG1-CD2 3.95Å; V35-L55 HydrophobicContact CG2-CD2 3.75Å
36S54.3Low52.4Low49 Ų4993.2 Ų93.234%0.34348%0.481SS..Hα-helixtrans-65.3-48.2-177-1790000113.6F32 I38 L39 L40F32-S36 WeakPolarHBondContact O-CA 3.5Å; F32-S36 WeakPolarHBondContact O-CB 3.23Å; F32-S36 PolarHBondContact O-N 3.39Å; S36-I38 PolarHBondContact O-N 3Å; S36-L39 PolarHBondContact O-N 2.94Å; S36-L40 WeakPolarHBondContact O-CB 3.41Å; S36-L40 PolarHBondContact O-N 3.31Å
37P56.2Low52.6Low84 Ų8490.3 Ų90.355%0.54547%0.468SS..Hα-helixtrans-61.9-31.7172.4-21.433.6000112.5E33 G41E33-P37 WeakPolarHBondContact O-CD 3.4Å; E33-P37 WeakPolarHBondContact O-CG 3.22Å; P37-G41 WeakPolarHBondContact O-CA 3.4Å; P37-G41 PolarHBondContact O-N 2.95Å
38I51.6Low52.4Low74 Ų7493.1 Ų93.138%0.37948%0.477SS..Hα-helixtrans-72.6-41.2178.6-67.9177.8000111.2R34 V35 S36 T42 I51R34-I38 VanDerWaalsContact O-CD1 3.25Å; R34-I38 WeakPolarHBondContact O-CD1 3.39Å; R34-I38 WeakPolarHBondContact O-CG1 3.34Å; V35-I38 CarbonylContact O-C 3.53Å; V35-I38 WeakPolarHBondContact O-CB 3.48Å; V35-I38 PolarHBondContact O-N 3.28Å; S36-I38 PolarHBondContact O-N 3Å; I38-T42 WeakPolarHBondContact O-CB 3.25Å; I38-T42 PolarHBondContact O-N 3.19Å; I38-T42 PolarHBondContact O-OG1 3.24Å; I38-I51 HydrophobicContact CG2-CD1 3.38Å; I38-I51 HydrophobicContact CG2-CG1 3.61Å; I38-I51 HydrophobicContact CG2-CG2 4.35Å
39L49.8Very low52.3Low76 Ų7696.2 Ų96.240%0.39850%0.496SS..Hα-helixtrans-68.3-46.9174-74.7175.7000111.7V35 S36 G41 T42 F43V35-L39 HydrophobicContact CG1-CD1 3.63Å; V35-L39 HydrophobicContact CG1-CG 3.75Å; V35-L39 WeakPolarHBondContact O-CB 3.49Å; V35-L39 WeakPolarHBondContact O-CG 3.48Å; V35-L39 PolarHBondContact O-N 2.72Å; S36-L39 PolarHBondContact O-N 2.94Å; L39-G41 VanDerWaalsContact C-N 3.34Å; L39-T42 PolarHBondContact O-N 2.88Å; L39-F43 PolarHBondContact O-N 3.35Å
40L55.8Low52.4Low121 Ų12198.1 Ų98.163%0.63450%0.502SS*.Hα-helixtrans-62.8-44.5176.8-166.571.5000110.5S36 T42 F43 I44S36-L40 WeakPolarHBondContact O-CB 3.41Å; S36-L40 PolarHBondContact O-N 3.31Å; L40-T42 VanDerWaalsContact C-N 3.27Å; L40-T42 PolarHBondContact O-N 3.09Å; L40-F43 PolarHBondContact O-N 3.02Å; L40-I44 WeakPolarHBondContact O-CG1 3.33Å; L40-I44 PolarHBondContact O-N 3.04Å
41G52.8Low52.1Low22 Ų2295.6 Ų95.623%0.22748%0.483CS..Hα-helixtrans-62-27.4174.600000113.9P37 L39 I44 Y45P37-G41 WeakPolarHBondContact O-CA 3.4Å; P37-G41 PolarHBondContact O-N 2.95Å; L39-G41 VanDerWaalsContact C-N 3.34Å; G41-I44 PolarHBondContact O-N 2.79Å; G41-Y45 WeakPolarHBondContact O-CB 3.13Å; G41-Y45 VanDerWaalsContact O-CD2 3.31Å; G41-Y45 WeakPolarHBondContact O-CD2 3.43Å; G41-Y45 PolarHBondContact O-N 3.2Å
42T48.7Very low52.1Low25 Ų2596.2 Ų96.215%0.15349%0.489CS..Hα-helixtrans-101.5-9.5178.251.30000116I38 L39 L40 I44 G46 I51I38-T42 WeakPolarHBondContact O-CB 3.25Å; I38-T42 PolarHBondContact O-N 3.19Å; I38-T42 PolarHBondContact O-OG1 3.24Å; L39-T42 PolarHBondContact O-N 2.88Å; L40-T42 VanDerWaalsContact C-N 3.27Å; L40-T42 PolarHBondContact O-N 3.09Å; T42-I44 PolarHBondContact O-N 2.91Å; T42-G46 PolarHBondContact O-N 3.1Å; T42-G46 VanDerWaalsContact O-N 3.12Å; T42-I51 HydrophobicContact CG2-CD1 3.21Å; T42-I51 VanDerWaalsContact OG1-CD1 3.25Å; T42-I51 WeakPolarHBondContact OG1-CD1 3.34Å
43F50.5Low52.2Low195 Ų19595.7 Ų95.786%0.85549%0.494SS*.Hα-helixtrans-63.2-22152.5-145-88.4000111.7L39 L40L39-F43 PolarHBondContact O-N 3.35Å; L40-F43 PolarHBondContact O-N 3.02Å
44I56.2Low52Low120 Ų12093 Ų9362%0.61548%0.484SS*.Hα-helixtrans-99.9-45.1178.8-60.8168.4000112.3L40 G41 T42L40-I44 WeakPolarHBondContact O-CG1 3.33Å; L40-I44 PolarHBondContact O-N 3.04Å; G41-I44 PolarHBondContact O-N 2.79Å; T42-I44 PolarHBondContact O-N 2.91Å
45Y57.3Low51.6Low199 Ų19986.1 Ų86.178%0.7846%0.462SS*.Hα-helixtrans-109.95.6-170.5-68.3-76.4000116G41 N47G41-Y45 WeakPolarHBondContact O-CB 3.13Å; G41-Y45 VanDerWaalsContact O-CD2 3.31Å; G41-Y45 WeakPolarHBondContact O-CD2 3.43Å; G41-Y45 PolarHBondContact O-N 3.2Å; Y45-N47 VanDerWaalsContact C-N 3.31Å; Y45-N47 PolarHBondContact O-N 3.3Å
46G43.5Very low51.3Low51 Ų5186.9 Ų86.953%0.52647%0.465SS..  trans66.19158.200000119.4T42 F48T42-G46 PolarHBondContact O-N 3.1Å; T42-G46 VanDerWaalsContact O-N 3.12Å; G46-F48 PolarHBondContact O-N 2.96Å
47N55.6Low51Low81 Ų8187.5 Ų87.543%0.43346%0.464SS..  trans-9075.7-175.4-169.1-2.4000113.1Y45 N50Y45-N47 VanDerWaalsContact C-N 3.31Å; Y45-N47 PolarHBondContact O-N 3.3Å; N47-N50 PolarHBondContact ND2-ND2 2.9Å
48F52.1Low50.6Low146 Ų14688 Ų8864%0.6446%0.459SS*.Hα-helixtrans-67.1-41.5-174.9-87.9-91.2000115G46 N50 I51 V52G46-F48 PolarHBondContact O-N 2.96Å; F48-N50 PolarHBondContact O-N 2.91Å; F48-I51 PolarHBondContact O-N 3.05Å; F48-I51 VanDerWaalsContact O-N 3.11Å; F48-V52 PolarHBondContact O-N 3.05Å
49D51.6Low50.3Low140 Ų14088.7 Ų88.775%0.74946%0.462SS*.Hα-helixtrans-61.1-44.3-167.4-74.3-42.1000113.4I51 S53D49-I51 VanDerWaalsContact C-N 3.26Å; D49-I51 PolarHBondContact O-N 2.99Å; D49-S53 PolarHBondContact O-N 3.37Å; D49-S53 VanDerWaalsContact O-N 3.16Å
50N50.3Low50.1Low101 Ų10189.1 Ų89.154%0.5447%0.465SS..Hα-helixtrans-63.5-32.8178.8-78.1-11.3000112.4N47 F48 L54N47-N50 PolarHBondContact ND2-ND2 2.9Å; F48-N50 PolarHBondContact O-N 2.91Å; N50-L54 WeakPolarHBondContact O-CB 3.49Å; N50-L54 PolarHBondContact O-N 2.9Å
51I44.6Very low49.9Very low21 Ų2184.6 Ų84.611%0.10844%0.439CS..Hα-helixtrans-83-35.9-176-70.8167.9000111.2I38 T42 F48 D49 S53 L54 L55I38-I51 HydrophobicContact CG2-CD1 3.38Å; I38-I51 HydrophobicContact CG2-CG1 3.61Å; I38-I51 HydrophobicContact CG2-CG2 4.35Å; T42-I51 HydrophobicContact CG2-CD1 3.21Å; T42-I51 VanDerWaalsContact OG1-CD1 3.25Å; T42-I51 WeakPolarHBondContact OG1-CD1 3.34Å; F48-I51 PolarHBondContact O-N 3.05Å; F48-I51 VanDerWaalsContact O-N 3.11Å; D49-I51 VanDerWaalsContact C-N 3.26Å; D49-I51 PolarHBondContact O-N 2.99Å; I51-S53 VanDerWaalsContact C-N 3.26Å; I51-S53 PolarHBondContact O-N 3.11Å; I51-L54 PolarHBondContact O-N 3.1Å; I51-L55 HydrophobicContact CG2-CD1 3.62Å; I51-L55 HydrophobicContact CG2-CG 4.09Å; I51-L55 VanDerWaalsContact O-CB 3.27Å; I51-L55 WeakPolarHBondContact O-CB 3.42Å; I51-L55 VanDerWaalsContact O-CG 3.27Å; I51-L55 WeakPolarHBondContact O-CG 3.47Å; I51-L55 PolarHBondContact O-N 3.11Å
52V52Low49.9Very low76 Ų7685.6 Ų85.646%0.46144%0.442SS..Hα-helixtrans-60.7-39.8169.4174.60000110.2F48 I56F48-V52 PolarHBondContact O-N 3.05Å; V52-I56 HydrophobicContact CG1-CD1 3.78Å; V52-I56 WeakPolarHBondContact O-CB 3.43Å; V52-I56 WeakPolarHBondContact O-CD1 3.44Å; V52-I56 WeakPolarHBondContact O-CG1 3.25Å; V52-I56 PolarHBondContact O-N 3.12Å; V52-I56 VanDerWaalsContact O-N 3.1Å
53S51Low50Low58 Ų5885 Ų8541%0.40644%0.439SS..Hα-helixtrans-63.2-56.9171.7-154.60000111.7D49 I51 L55 I56 D57D49-S53 PolarHBondContact O-N 3.37Å; D49-S53 VanDerWaalsContact O-N 3.16Å; I51-S53 VanDerWaalsContact C-N 3.26Å; I51-S53 PolarHBondContact O-N 3.11Å; S53-L55 VanDerWaalsContact C-N 3.31Å; S53-L55 PolarHBondContact O-N 2.75Å; S53-I56 PolarHBondContact O-N 3.18Å; S53-D57 WeakPolarHBondContact O-CB 3.37Å; S53-D57 PolarHBondContact O-N 3.21Å; S53-D57 PolarHBondContact OG-OD2 2.75Å
54L50.9Low50.1Low92 Ų9277.3 Ų77.348%0.48241%0.407SS..Hα-helixtrans-58.5-37-177.1-91.5160.8000114.1N50 I51 H58N50-L54 WeakPolarHBondContact O-CB 3.49Å; N50-L54 PolarHBondContact O-N 2.9Å; I51-L54 PolarHBondContact O-N 3.1Å; L54-H58 PolarHBondContact O-N 2.88Å; L54-H58 VanDerWaalsContact O-N 3.09Å
55L43.1Very low49.6Very low52 Ų5273.5 Ų73.527%0.27239%0.394SS..Hα-helixtrans-70.5-39.8174.8-71.6170.7000111.7V35 I51 S53 I59V35-L55 HydrophobicContact CG1-CD2 3.95Å; V35-L55 HydrophobicContact CG2-CD2 3.75Å; I51-L55 HydrophobicContact CG2-CD1 3.62Å; I51-L55 HydrophobicContact CG2-CG 4.09Å; I51-L55 VanDerWaalsContact O-CB 3.27Å; I51-L55 WeakPolarHBondContact O-CB 3.42Å; I51-L55 VanDerWaalsContact O-CG 3.27Å; I51-L55 WeakPolarHBondContact O-CG 3.47Å; I51-L55 PolarHBondContact O-N 3.11Å; S53-L55 VanDerWaalsContact C-N 3.31Å; S53-L55 PolarHBondContact O-N 2.75Å; L55-I59 HydrophobicContact CB-CD1 4.44Å; L55-I59 HydrophobicContact CD2-CD1 3.74Å; L55-I59 WeakPolarHBondContact O-CB 3.39Å; L55-I59 WeakPolarHBondContact O-CG1 3.35Å; L55-I59 PolarHBondContact O-N 3.27Å
56I50.2Low49.2Very low42 Ų4267.3 Ų67.322%0.21537%0.374CS..Iπ-helixtrans-65.3-49.1174.6-71.8169.7000110.2V52 S53 H58 L60V52-I56 HydrophobicContact CG1-CD1 3.78Å; V52-I56 WeakPolarHBondContact O-CB 3.43Å; V52-I56 WeakPolarHBondContact O-CD1 3.44Å; V52-I56 WeakPolarHBondContact O-CG1 3.25Å; V52-I56 PolarHBondContact O-N 3.12Å; V52-I56 VanDerWaalsContact O-N 3.1Å; S53-I56 PolarHBondContact O-N 3.18Å; I56-H58 VanDerWaalsContact C-N 3.35Å; I56-H58 PolarHBondContact O-N 3.06Å; I56-L60 HydrophobicContact CG2-CB 4.45Å; I56-L60 WeakPolarHBondContact O-CA 3.37Å; I56-L60 WeakPolarHBondContact O-CB 3.27Å; I56-L60 PolarHBondContact O-N 2.92Å
57D46.5Very low49.3Very low61 Ų6166.1 Ų66.133%0.32636%0.359SS..Iπ-helixtrans-62.2-37.4-176.7-71.5-49.7000112.4S53 R61S53-D57 WeakPolarHBondContact O-CB 3.37Å; S53-D57 PolarHBondContact O-N 3.21Å; S53-D57 PolarHBondContact OG-OD2 2.75Å; D57-R61 WeakPolarHBondContact O-CB 3.48Å
58H48.3Very low49Very low94 Ų9467.7 Ų67.744%0.43537%0.368SS..Iπ-helixtrans-93.1-28.6177.9-74.3-46000115.9L54 I56L54-H58 PolarHBondContact O-N 2.88Å; L54-H58 VanDerWaalsContact O-N 3.09Å; I56-H58 VanDerWaalsContact C-N 3.35Å; I56-H58 PolarHBondContact O-N 3.06Å
59I45.4Very low48.9Very low89 Ų8969.1 Ų69.146%0.45637%0.37SS..Iπ-helixtrans-93.4-38.6-177.8-56.5178.2000111.9L55L55-I59 HydrophobicContact CB-CD1 4.44Å; L55-I59 HydrophobicContact CD2-CD1 3.74Å; L55-I59 WeakPolarHBondContact O-CB 3.39Å; L55-I59 WeakPolarHBondContact O-CG1 3.35Å; L55-I59 PolarHBondContact O-N 3.27Å
60L46.6Very low48.8Very low85 Ų8568.9 Ų68.945%0.44537%0.369SS..Iπ-helixtrans-88.3-11.3-179.2-82.171.5000113.2I56 P62 Y740 N852I56-L60 HydrophobicContact CG2-CB 4.45Å; I56-L60 WeakPolarHBondContact O-CA 3.37Å; I56-L60 WeakPolarHBondContact O-CB 3.27Å; I56-L60 PolarHBondContact O-N 2.92Å; L60-P62 WeakPolarHBondContact O-CD 3.44Å; L60-Y740 HydrophobicContact CD2-CE2 4Å; L60-Y740 WeakPolarHBondContact CD2-OH 3.25Å; L60-N852 PolarHBondContact O-ND2 2.83Å
61R51Low49.1Very low27 Ų2764.8 Ų64.810%0.10235%0.347CS..  trans-122.560.4177.8-52.8173.8161.4-154.6-11.5112.7D57 S63 V64 A65 E744 E845D57-R61 WeakPolarHBondContact O-CB 3.48Å; R61-S63 PolarHBondContact O-N 2.9Å; R61-V64 HydrophobicContact CB-CB 3.94Å; R61-V64 HydrophobicContact CB-CG2 3.92Å; R61-V64 WeakPolarHBondContact O-CA 3.38Å; R61-V64 PolarHBondContact O-N 3.2Å; R61-A65 PolarHBondContact O-N 3.43Å; R61-E744 IonicContact CZ-OE1 3.13Å; R61-E744 IonicContact CZ-OE2 3.25Å; R61-E744 IonicContact NE-OE1 2.68Å; R61-E744 PolarHBondContact NE-OE1 3.44Å; R61-E744 IonicContact NE-OE2 2.7Å; R61-E744 VanDerWaalsContact NH2-CD 3.27Å; R61-E744 IonicContact NH2-OE1 2.7Å; R61-E744 IonicContact NH2-OE2 3.59Å; R61-E744 PolarHBondContact NH2-OE2 2.84Å; R61-E845 IonicContact CZ-OE1 3.6Å; R61-E845 VanDerWaalsContact CZ-OE1 3.3Å; R61-E845 IonicContact NH1-OE1 2.75Å; R61-E845 PolarHBondContact NH1-OE1 2.84Å; R61-E845 IonicContact NH2-OE1 2.88Å; R61-E845 PolarHBondContact NH2-OE1 3.09Å
62P53Low49.7Very low43 Ų4368.4 Ų68.428%0.27937%0.374SS..Hα-helixtrans-60-27.9177.926.6-35.4000112.9L60 V64 L66 L84L60-P62 WeakPolarHBondContact O-CD 3.44Å; P62-V64 VanDerWaalsContact C-N 3.28Å; P62-V64 PolarHBondContact O-N 3.38Å; P62-L66 WeakPolarHBondContact O-CB 3.48Å; P62-L66 PolarHBondContact O-N 3.26Å; P62-L84 HydrophobicContact CB-CD1 4.22Å
63S51.2Low50.5Low12 Ų1269.7 Ų69.78%0.08438%0.378CS..Hα-helixtrans-64.4-28.5171.6590000113.9R61 A67 A848 N852R61-S63 PolarHBondContact O-N 2.9Å; S63-A67 WeakPolarHBondContact O-CB 3.31Å; S63-A848 PolarHBondContact OG-O 2.85Å; S63-N852 WeakPolarHBondContact CB-OD1 3.38Å; S63-N852 PolarHBondContact OG-OD1 3.09Å
64V50.7Low51.4Low33 Ų3372.2 Ų72.220%0.238%0.379CS..Hα-helixtrans-90.1-43.6178.9-177.50000110.6R61 P62 L66 A67 D68 A848R61-V64 HydrophobicContact CB-CB 3.94Å; R61-V64 HydrophobicContact CB-CG2 3.92Å; R61-V64 WeakPolarHBondContact O-CA 3.38Å; R61-V64 PolarHBondContact O-N 3.2Å; P62-V64 VanDerWaalsContact C-N 3.28Å; P62-V64 PolarHBondContact O-N 3.38Å; V64-L66 PolarHBondContact O-N 3.2Å; V64-A67 CarbonylContact O-C 3.53Å; V64-A67 WeakPolarHBondContact O-CA 3.25Å; V64-A67 PolarHBondContact O-N 3.46Å; V64-D68 PolarHBondContact O-N 3.42Å; V64-A848 HydrophobicContact CG2-CB 3.73Å
65A46.4Very low52.6Low41 Ų4177 Ų7734%0.33939%0.39SS..Hα-helixtrans-59.8-22.117700000113.9R61R61-A65 PolarHBondContact O-N 3.43Å
66L48.5Very low53.9Low68 Ų6876.6 Ų76.636%0.35639%0.392SS..THydrogen-bonded Turntrans-98-1.7171.9-90.3146.5000114.3P62 V64 S80 L84P62-L66 WeakPolarHBondContact O-CB 3.48Å; P62-L66 PolarHBondContact O-N 3.26Å; V64-L66 PolarHBondContact O-N 3.2Å; L66-S80 PolarHBondContact O-OG 2.84Å; L66-S80 VanDerWaalsContact O-OG 3.12Å; L66-L84 HydrophobicContact CD1-CB 4.2Å; L66-L84 HydrophobicContact CD1-CD1 3.99Å; L66-L84 HydrophobicContact CD1-CG 4.49Å
67A47.2Very low55Low26 Ų2674.6 Ų74.622%0.21538%0.381CS..THydrogen-bonded Turntrans-116.9-8.3179.100000114.4S63 V64 Y69 I71S63-A67 WeakPolarHBondContact O-CB 3.31Å; V64-A67 CarbonylContact O-C 3.53Å; V64-A67 WeakPolarHBondContact O-CA 3.25Å; V64-A67 PolarHBondContact O-N 3.46Å; A67-Y69 CarbonylContact C-O 3.54Å; A67-Y69 PolarHBondContact O-N 3.05Å; A67-I71 HydrophobicContact CB-CD1 4.45Å
68D47.5Very low56.6Low115 Ų11572.6 Ų72.662%0.61537%0.374SS*.SBendtrans-69.2-11.6166.4-70.4-33.2000112.6V64V64-D68 PolarHBondContact O-N 3.42Å
69Y50.1Low57.9Low176 Ų17672.7 Ų72.769%0.6938%0.376SS*.SBendtrans-71.8131.1159.7-163.3-77.8000108.5A67 I71A67-Y69 CarbonylContact C-O 3.54Å; A67-Y69 PolarHBondContact O-N 3.05Å; Y69-I71 WeakPolarHBondContact O-CG1 3.33Å; Y69-I71 PolarHBondContact O-N 3.2Å
70D49.3Very low59.4Low134 Ų13469.2 Ų69.272%0.71736%0.359SS*.  trans-65.595.5-178-172.42000111.7S72D70-S72 PolarHBondContact O-N 3.01Å
71I57.1Low61.1Low16 Ų1665.6 Ų65.68%0.08234%0.341CS..  trans-86.167.3-178.4-67.7161.1000109.1A67 Y69 D73 L840A67-I71 HydrophobicContact CB-CD1 4.45Å; Y69-I71 WeakPolarHBondContact O-CG1 3.33Å; Y69-I71 PolarHBondContact O-N 3.2Å; I71-D73 PolarHBondContact O-N 3.36Å; I71-L840 HydrophobicContact CG2-CD2 4.14Å; I71-L840 WeakPolarHBondContact O-CD2 3.31Å
72S58.5Low62.7Low96 Ų9668.1 Ų68.167%0.67136%0.356SS*.  trans-57.6-37.7165530000112D70D70-S72 PolarHBondContact O-N 3.01Å
73D67.1Low64.1Low103 Ų10371.2 Ų71.255%0.55137%0.37SS*.SBendtrans-102.6127.7-167.1-109.125.8000113.7I71 R75 S76 S77I71-D73 PolarHBondContact O-N 3.36Å; D73-R75 PolarHBondContact O-N 3.48Å; D73-R75 VanDerWaalsContact O-N 3.08Å; D73-S76 WeakPolarHBondContact O-CA 3.41Å; D73-S76 WeakPolarHBondContact O-CB 3.4Å; D73-S76 PolarHBondContact O-N 3.1Å; D73-S77 PolarHBondContact O-N 3.18Å
74R70.7Confident65.6Low111 Ų11171.5 Ų71.542%0.41937%0.37SS..Hα-helixtrans-53.1-30.8173.8175.2-179.9159.6-151.7-20.2113.4A78 Q836R74-A78 PolarHBondContact O-N 3.46Å; R74-Q836 PolarHBondContact NH1-O 3.34Å
75R75.7Confident67.4Low193 Ų19370.1 Ų70.173%0.72836%0.362SS*.Hα-helixtrans-70.1-36175.5-175.5176.7177.5176.4-0.9111.7D73 M79D73-R75 PolarHBondContact O-N 3.48Å; D73-R75 VanDerWaalsContact O-N 3.08Å; R75-M79 HydrophobicContact CG-CG 4.44Å; R75-M79 WeakPolarHBondContact O-CB 3.27Å; R75-M79 WeakPolarHBondContact O-CG 3.48Å; R75-M79 PolarHBondContact O-N 3.32Å; R75-M79 VanDerWaalsContact O-N 3.1Å
76S71.7Confident69.4Low43 Ų4372.7 Ų72.730%0.30137%0.365SS..Hα-helixtrans-67.4-45.4177-167.90000111D73 A78 M79 S80D73-S76 WeakPolarHBondContact O-CA 3.41Å; D73-S76 WeakPolarHBondContact O-CB 3.4Å; D73-S76 PolarHBondContact O-N 3.1Å; S76-A78 PolarHBondContact O-N 2.96Å; S76-M79 PolarHBondContact O-N 2.8Å; S76-S80 WeakPolarHBondContact O-CB 3.41Å; S76-S80 PolarHBondContact O-N 3.4Å
77S73.1Confident71.1Confident0 Ų071.6 Ų71.60%037%0.366CS..Hα-helixtrans-51-55173.9-176.10000112D73 M79 S80 S81 E906 R909D73-S77 PolarHBondContact O-N 3.18Å; S77-M79 PolarHBondContact O-N 2.83Å; S77-S80 PolarHBondContact O-N 3.32Å; S77-S81 PolarHBondContact O-N 3.15Å; S77-S81 PolarHBondContact O-OG 2.88Å; S77-E906 VanDerWaalsContact CB-OE1 3.23Å; S77-E906 WeakPolarHBondContact CB-OE1 3.35Å; S77-E906 PolarHBondContact OG-OE1 3.01Å; S77-R909 PolarHBondContact OG-NH1 2.85Å
78A79.3Confident73Confident20 Ų2072.4 Ų72.417%0.16537%0.366CS..Hα-helixtrans-64.2-37.9-178.400000112.9R74 S76 L82 F902 E906R74-A78 PolarHBondContact O-N 3.46Å; S76-A78 PolarHBondContact O-N 2.96Å; A78-L82 WeakPolarHBondContact O-CB 3.49Å; A78-L82 VanDerWaalsContact O-CG 3.23Å; A78-L82 WeakPolarHBondContact O-CG 3.44Å; A78-L82 PolarHBondContact O-N 3.35Å; A78-F902 HydrophobicContact CB-CE2 4.26Å; A78-F902 HydrophobicContact CB-CZ 4.13Å; A78-E906 PolarHBondContact N-OE1 3.37Å
79M76.9Confident75Confident96 Ų9669.8 Ų69.847%0.47335%0.35SS..Hα-helixtrans-69.6-42177.5-70.1-70.8153.500111.8R75 S76 S77 L82 L83R75-M79 HydrophobicContact CG-CG 4.44Å; R75-M79 WeakPolarHBondContact O-CB 3.27Å; R75-M79 WeakPolarHBondContact O-CG 3.48Å; R75-M79 PolarHBondContact O-N 3.32Å; R75-M79 VanDerWaalsContact O-N 3.1Å; S76-M79 PolarHBondContact O-N 2.8Å; S77-M79 PolarHBondContact O-N 2.83Å; M79-L82 PolarHBondContact O-N 3.18Å; M79-L83 WeakPolarHBondContact O-CB 3.39Å; M79-L83 VanDerWaalsContact O-CG 3.26Å; M79-L83 WeakPolarHBondContact O-CG 3.48Å; M79-L83 PolarHBondContact O-N 3.25Å
80S75.7Confident76.8Confident16 Ų1663.9 Ų63.911%0.11233%0.328CS..Hα-helixtrans-58-48174.1176.70000111.3L66 S76 S77 L82 L83 L84L66-S80 PolarHBondContact O-OG 2.84Å; L66-S80 VanDerWaalsContact O-OG 3.12Å; S76-S80 WeakPolarHBondContact O-CB 3.41Å; S76-S80 PolarHBondContact O-N 3.4Å; S77-S80 PolarHBondContact O-N 3.32Å; S80-L82 PolarHBondContact O-N 2.99Å; S80-L83 PolarHBondContact O-N 2.88Å; S80-L84 PolarHBondContact O-N 3.38Å
81S82.1Confident78.4Confident8 Ų858.5 Ų58.56%0.05630%0.304CS..Hα-helixtrans-63.6-38175.9-56.60000113.5S77 L85S77-S81 PolarHBondContact O-N 3.15Å; S77-S81 PolarHBondContact O-OG 2.88Å; S81-L85 WeakPolarHBondContact O-CD1 3.35Å; S81-L85 VanDerWaalsContact O-CG 3.28Å; S81-L85 WeakPolarHBondContact O-CG 3.18Å; S81-L85 PolarHBondContact O-N 3.34Å
82L85.4Confident80Confident80 Ų8058.6 Ų58.642%0.41931%0.305SS..Hα-helixtrans-69.9-38.8176.5-73.9168.3000112.5A78 M79 S80 L85 F86 F902A78-L82 WeakPolarHBondContact O-CB 3.49Å; A78-L82 VanDerWaalsContact O-CG 3.23Å; A78-L82 WeakPolarHBondContact O-CG 3.44Å; A78-L82 PolarHBondContact O-N 3.35Å; M79-L82 PolarHBondContact O-N 3.18Å; S80-L82 PolarHBondContact O-N 2.99Å; L82-L85 PolarHBondContact O-N 3.3Å; L82-F86 WeakPolarHBondContact O-CB 3.45Å; L82-F86 PolarHBondContact O-N 3.4Å; L82-F902 HydrophobicContact CD1-CE2 4.28Å; L82-F902 HydrophobicContact CD1-CZ 4.47Å; L82-F902 HydrophobicContact CD2-CD2 3.9Å; L82-F902 HydrophobicContact CD2-CE2 3.99Å; L82-F902 HydrophobicContact CD2-CG 4.32Å; L82-F902 HydrophobicContact CD2-CZ 4.46Å; L82-F902 HydrophobicContact CG-CD2 4Å; L82-F902 HydrophobicContact CG-CE2 3.69Å; L82-F902 HydrophobicContact CG-CZ 4.3Å
83L81.4Confident81.4Confident109 Ų10954.3 Ų54.357%0.57128%0.275SS*.Hα-helixtrans-65-41.7176.2-73.8167.4000111.5M79 S80 F86 A87M79-L83 WeakPolarHBondContact O-CB 3.39Å; M79-L83 VanDerWaalsContact O-CG 3.26Å; M79-L83 WeakPolarHBondContact O-CG 3.48Å; M79-L83 PolarHBondContact O-N 3.25Å; S80-L83 PolarHBondContact O-N 2.88Å; L83-F86 PolarHBondContact O-N 2.87Å; L83-A87 WeakPolarHBondContact O-CB 3.36Å; L83-A87 PolarHBondContact O-N 3.36Å
84L84Confident82.1Confident18 Ų1850.5 Ų50.59%0.09426%0.26CS..Hα-helixtrans-59.1-47.2174-179.855.4000111.8P62 L66 S80 A87 L88 L855P62-L84 HydrophobicContact CB-CD1 4.22Å; L66-L84 HydrophobicContact CD1-CB 4.2Å; L66-L84 HydrophobicContact CD1-CD1 3.99Å; L66-L84 HydrophobicContact CD1-CG 4.49Å; S80-L84 PolarHBondContact O-N 3.38Å; L84-A87 PolarHBondContact O-N 2.84Å; L84-L88 HydrophobicContact CD1-CD1 4.42Å; L84-L88 HydrophobicContact CG-CD1 4.49Å; L84-L88 WeakPolarHBondContact O-CG 3.44Å; L84-L88 PolarHBondContact O-N 3.48Å; L84-L855 HydrophobicContact CD2-CD1 3.83Å; L84-L855 HydrophobicContact CD2-CD2 4.32Å
85L89Confident82.8Confident4 Ų448.4 Ų48.42%0.02125%0.254CS..Hα-helixtrans-67.7-36.5178.9-69.8167.7000112.5S81 L82 F89 L855 L858 M898 V901 F902S81-L85 WeakPolarHBondContact O-CD1 3.35Å; S81-L85 VanDerWaalsContact O-CG 3.28Å; S81-L85 WeakPolarHBondContact O-CG 3.18Å; S81-L85 PolarHBondContact O-N 3.34Å; L82-L85 PolarHBondContact O-N 3.3Å; L85-F89 WeakPolarHBondContact O-CB 3.3Å; L85-F89 PolarHBondContact O-N 2.86Å; L85-L855 HydrophobicContact CD2-CD2 4.37Å; L85-L858 HydrophobicContact CD2-CD2 3.35Å; L85-M898 HydrophobicContact CB-CE 4.26Å; L85-V901 HydrophobicContact CD2-CB 4.08Å; L85-V901 HydrophobicContact CD2-CG1 3.84Å; L85-F902 HydrophobicContact CD1-CB 3.6Å; L85-F902 HydrophobicContact CD1-CD2 4.33Å; L85-F902 HydrophobicContact CD1-CG 4.44Å
86F87.4Confident83.4Confident95 Ų9539.2 Ų39.242%0.41722%0.219SC..Hα-helixtrans-64.8-47.3173.8177.1-95.5000111.7L82 L83 L88 F89 E90 L125L82-F86 WeakPolarHBondContact O-CB 3.45Å; L82-F86 PolarHBondContact O-N 3.4Å; L83-F86 PolarHBondContact O-N 2.87Å; F86-L88 PolarHBondContact O-N 3.17Å; F86-F89 PolarHBondContact O-N 3.49Å; F86-F89 VanDerWaalsContact O-N 3.15Å; F86-E90 WeakPolarHBondContact CE1-OE2 3.39Å; F86-E90 WeakPolarHBondContact CZ-OE2 3.49Å; F86-E90 PolarHBondContact O-N 3.08Å; F86-L125 HydrophobicContact CZ-CD1 4.08Å
87A84Confident84.1Confident44 Ų4438.1 Ų38.136%0.36421%0.21SC..Hα-helixtrans-62.6-39.917900000112.4L83 L84 G91L83-A87 WeakPolarHBondContact O-CB 3.36Å; L83-A87 PolarHBondContact O-N 3.36Å; L84-A87 PolarHBondContact O-N 2.84Å; A87-G91 PolarHBondContact O-N 2.99Å
88L87.9Confident84.6Confident44 Ų4440 Ų4023%0.2322%0.222CC..Hα-helixtrans-62.9-45.5172-71.7173.7000111.5L84 F86 G91 M92 L855 V859L84-L88 HydrophobicContact CD1-CD1 4.42Å; L84-L88 HydrophobicContact CG-CD1 4.49Å; L84-L88 WeakPolarHBondContact O-CG 3.44Å; L84-L88 PolarHBondContact O-N 3.48Å; F86-L88 PolarHBondContact O-N 3.17Å; L88-G91 PolarHBondContact O-N 2.85Å; L88-M92 WeakPolarHBondContact O-CB 3.29Å; L88-M92 VanDerWaalsContact O-CG 3.27Å; L88-M92 WeakPolarHBondContact O-CG 3.49Å; L88-M92 PolarHBondContact O-N 3.42Å; L88-L855 HydrophobicContact CD1-CB 4.36Å; L88-L855 HydrophobicContact CD1-CD2 3.68Å; L88-V859 HydrophobicContact CD2-CG2 3.95Å
89F89.7Confident84.8Confident60 Ų6040 Ų4026%0.26322%0.219SC..Hα-helixtrans-62.8-45.6179.1-175.3-92.3000112.8L85 F86 M92 C93 L862 M894 M898L85-F89 WeakPolarHBondContact O-CB 3.3Å; L85-F89 PolarHBondContact O-N 2.86Å; F86-F89 PolarHBondContact O-N 3.49Å; F86-F89 VanDerWaalsContact O-N 3.15Å; F89-M92 PolarHBondContact O-N 2.92Å; F89-C93 VanDerWaalsContact CE1-SG 3.56Å; F89-C93 PolarHBondContact O-N 2.87Å; F89-C93 PolarHBondContact O-SG 2.94Å; F89-L862 HydrophobicContact CD2-CD1 4.26Å; F89-L862 HydrophobicContact CD2-CD2 4.06Å; F89-L862 HydrophobicContact CE2-CD2 4.37Å; F89-M894 HydrophobicContact CE2-CE 3.51Å; F89-M894 HydrophobicContact CZ-CE 3.81Å; F89-M898 HydrophobicContact CB-CE 3.74Å; F89-M898 HydrophobicContact CB-SD 4.27Å; F89-M898 HydrophobicContact CD2-CE 4.03Å; F89-M898 HydrophobicContact CD2-SD 3.45Å; F89-M898 WeakPolarHBondContact CD2-SD 3.46Å; F89-M898 HydrophobicContact CE2-SD 4.07Å; F89-M898 HydrophobicContact CG-CE 4.04Å; F89-M898 HydrophobicContact CG-SD 4.08Å
90E86.7Confident85.2Confident51 Ų5135.5 Ų35.524%0.23820%0.197CC..Hα-helixtrans-63.2-45.7177.1-170.1-175.5145.300111.1F86 M92 C93 G94 F118 Q122F86-E90 WeakPolarHBondContact CE1-OE2 3.39Å; F86-E90 WeakPolarHBondContact CZ-OE2 3.49Å; F86-E90 PolarHBondContact O-N 3.08Å; E90-M92 VanDerWaalsContact C-N 3.33Å; E90-M92 PolarHBondContact O-N 3.41Å; E90-C93 PolarHBondContact O-N 2.7Å; E90-G94 PolarHBondContact O-N 3.19Å; E90-F118 HydrophobicContact CG-CE2 4.44Å; E90-F118 HydrophobicContact CG-CZ 4.05Å; E90-Q122 WeakPolarHBondContact OE1-CG 3.24Å; E90-Q122 PolarHBondContact OE1-NE2 2.98Å
91G83.5Confident85.3Confident21 Ų2136.2 Ų36.222%0.21620%0.202CC..Hα-helixtrans-58.9-41.6175.600000112.9A87 L88 G94 F95A87-G91 PolarHBondContact O-N 2.99Å; L88-G91 PolarHBondContact O-N 2.85Å; G91-G94 PolarHBondContact O-N 3.06Å; G91-F95 WeakPolarHBondContact O-CB 3.15Å; G91-F95 PolarHBondContact O-N 2.67Å
92M90.4Very high85.1Confident18 Ų1839.7 Ų39.79%0.08923%0.231CC..Hα-helixtrans-68.3-39176-69-48.4-60.400112.9L88 F89 E90 F95 V96 V859 L862 F863 L866L88-M92 WeakPolarHBondContact O-CB 3.29Å; L88-M92 VanDerWaalsContact O-CG 3.27Å; L88-M92 WeakPolarHBondContact O-CG 3.49Å; L88-M92 PolarHBondContact O-N 3.42Å; F89-M92 PolarHBondContact O-N 2.92Å; E90-M92 VanDerWaalsContact C-N 3.33Å; E90-M92 PolarHBondContact O-N 3.41Å; M92-F95 HydrophobicContact CE-CD1 4.31Å; M92-F95 PolarHBondContact O-N 3.4Å; M92-V96 HydrophobicContact CE-CG2 4.12Å; M92-V96 WeakPolarHBondContact O-CB 3.35Å; M92-V96 WeakPolarHBondContact O-CG2 3.37Å; M92-V96 PolarHBondContact O-N 3.01Å; M92-V859 HydrophobicContact CE-CG1 4.37Å; M92-V859 HydrophobicContact SD-CG1 3.83Å; M92-L862 HydrophobicContact CB-CB 4.34Å; M92-L862 HydrophobicContact CG-CB 4.2Å; M92-F863 HydrophobicContact CE-CB 3.55Å; M92-F863 HydrophobicContact CE-CD2 3.93Å; M92-F863 HydrophobicContact CE-CG 4.24Å; M92-L866 HydrophobicContact CB-CD1 4Å
93C87.1Confident84.7Confident7 Ų740 Ų405%0.04723%0.229CC..Hα-helixtrans-63.2-46.3172.9-66.10000111.5F89 E90 F95 L97 F118F89-C93 VanDerWaalsContact CE1-SG 3.56Å; F89-C93 PolarHBondContact O-N 2.87Å; F89-C93 PolarHBondContact O-SG 2.94Å; E90-C93 PolarHBondContact O-N 2.7Å; C93-F95 PolarHBondContact O-N 2.6Å; C93-L97 HydrophobicContact CB-CD1 4.13Å; C93-L97 VanDerWaalsContact O-CB 3.29Å; C93-L97 WeakPolarHBondContact O-CB 3.39Å; C93-L97 VanDerWaalsContact O-CG 3.26Å; C93-L97 WeakPolarHBondContact O-CG 3.15Å; C93-L97 PolarHBondContact O-N 2.92Å; C93-F118 HydrophobicContact CB-CD2 3.82Å; C93-F118 HydrophobicContact CB-CE1 4.42Å; C93-F118 HydrophobicContact CB-CE2 3.29Å; C93-F118 HydrophobicContact CB-CZ 3.64Å
94G82.1Confident84Confident22 Ų2235.7 Ų35.723%0.22721%0.205CC..Hα-helixtrans-63.5-25176.800000114E90 G91 P98E90-G94 PolarHBondContact O-N 3.19Å; G91-G94 PolarHBondContact O-N 3.06Å; G94-P98 VanDerWaalsContact O-CD 3.29Å; G94-P98 WeakPolarHBondContact O-CD 3.39Å; G94-P98 WeakPolarHBondContact O-CG 3.42Å
95F86.1Confident82.9Confident67 Ų6740.1 Ų40.129%0.29423%0.233SC..Hα-helixtrans-86.6-47.2175.1-179.1-121.6000113.4W16 L20 G91 M92 C93 P98 I99 F863W16-F95 HydrophobicContact CH2-CE2 4.1Å; W16-F95 AromaticContact CH2-CZ 3.9Å; W16-F95 HydrophobicContact CH2-CZ 3.9Å; W16-F95 AromaticContact CZ2-CE2 3.62Å; W16-F95 HydrophobicContact CZ2-CE2 3.62Å; W16-F95 AromaticContact CZ2-CZ 3.69Å; W16-F95 HydrophobicContact CZ2-CZ 3.69Å; L20-F95 HydrophobicContact CD1-CE2 3.74Å; L20-F95 HydrophobicContact CD1-CZ 4.19Å; L20-F95 HydrophobicContact CG-CE2 4.2Å; G91-F95 WeakPolarHBondContact O-CB 3.15Å; G91-F95 PolarHBondContact O-N 2.67Å; M92-F95 HydrophobicContact CE-CD1 4.31Å; M92-F95 PolarHBondContact O-N 3.4Å; C93-F95 PolarHBondContact O-N 2.6Å; F95-P98 WeakPolarHBondContact O-CD 3.13Å; F95-I99 HydrophobicContact CD1-CD1 4.42Å; F95-I99 HydrophobicContact CD2-CD1 4.25Å; F95-I99 HydrophobicContact CE1-CD1 4.14Å; F95-I99 HydrophobicContact CE2-CD1 3.94Å; F95-I99 HydrophobicContact CG-CD1 4.48Å; F95-I99 HydrophobicContact CZ-CD1 3.89Å; F95-I99 VanDerWaalsContact O-CD1 3.26Å; F95-I99 WeakPolarHBondContact O-CD1 3.29Å; F95-I99 WeakPolarHBondContact O-CG1 3.36Å; F95-F863 HydrophobicContact CD1-CD2 4.42Å; F95-F863 HydrophobicContact CE1-CD2 4.17Å; F95-F863 AromaticContact CE1-CE2 3.92Å; F95-F863 HydrophobicContact CE1-CE2 3.92Å
96V88.3Confident81.3Confident0 Ų043.5 Ų43.50%026%0.256CS..Hα-helixtrans-81.9-40.9-171.1175.40000113M92 I99 C100 F863 L866 F867M92-V96 HydrophobicContact CE-CG2 4.12Å; M92-V96 WeakPolarHBondContact O-CB 3.35Å; M92-V96 WeakPolarHBondContact O-CG2 3.37Å; M92-V96 PolarHBondContact O-N 3.01Å; V96-I99 WeakPolarHBondContact O-CA 3.27Å; V96-I99 WeakPolarHBondContact O-CB 3.28Å; V96-I99 PolarHBondContact O-N 3.38Å; V96-C100 PolarHBondContact O-N 2.98Å; V96-F863 HydrophobicContact CG2-CD2 3.91Å; V96-F863 HydrophobicContact CG2-CE2 4.47Å; V96-L866 HydrophobicContact CB-CB 4.01Å; V96-L866 HydrophobicContact CB-CD1 4.09Å; V96-L866 HydrophobicContact CG1-CB 3.58Å; V96-L866 HydrophobicContact CG2-CB 4.38Å; V96-L866 HydrophobicContact CG2-CD1 4.21Å; V96-F867 HydrophobicContact CB-CE2 4.25Å; V96-F867 HydrophobicContact CG1-CD1 4.34Å; V96-F867 HydrophobicContact CG1-CD2 3.59Å; V96-F867 HydrophobicContact CG1-CE1 4.3Å; V96-F867 HydrophobicContact CG1-CE2 3.52Å; V96-F867 HydrophobicContact CG1-CG 4Å; V96-F867 HydrophobicContact CG1-CZ 3.89Å; V96-F867 HydrophobicContact CG2-CD2 4.31Å; V96-F867 HydrophobicContact CG2-CE2 3.91Å
97L86.3Confident79.8Confident21 Ų2142.2 Ų42.211%0.1126%0.259CS..Hα-helixtrans-59.6-40.6-177.5-63.2174.8000114C93 I99 C100 S101 Y115 F118 V870C93-L97 HydrophobicContact CB-CD1 4.13Å; C93-L97 VanDerWaalsContact O-CB 3.29Å; C93-L97 WeakPolarHBondContact O-CB 3.39Å; C93-L97 VanDerWaalsContact O-CG 3.26Å; C93-L97 WeakPolarHBondContact O-CG 3.15Å; C93-L97 PolarHBondContact O-N 2.92Å; L97-I99 VanDerWaalsContact C-N 3.29Å; L97-I99 PolarHBondContact O-N 3.41Å; L97-C100 PolarHBondContact O-N 3.01Å; L97-S101 PolarHBondContact O-N 3.12Å; L97-S101 VanDerWaalsContact O-N 3.08Å; L97-S101 PolarHBondContact O-OG 2.99Å; L97-Y115 HydrophobicContact CB-CD2 4.11Å; L97-F118 HydrophobicContact CD1-CB 3.61Å; L97-F118 HydrophobicContact CD1-CD1 4.19Å; L97-F118 HydrophobicContact CD1-CD2 3.99Å; L97-F118 HydrophobicContact CD1-CG 3.64Å; L97-V870 HydrophobicContact CD2-CG2 3.82Å
98P83.4Confident78.4Confident38 Ų3847.3 Ų47.325%0.24728%0.279CS..Hα-helixtrans-57.4-41169.6-15.821.7000112.7G94 F95 S101 A102 Y115G94-P98 VanDerWaalsContact O-CD 3.29Å; G94-P98 WeakPolarHBondContact O-CD 3.39Å; G94-P98 WeakPolarHBondContact O-CG 3.42Å; F95-P98 WeakPolarHBondContact O-CD 3.13Å; P98-S101 PolarHBondContact O-N 3.18Å; P98-S101 PolarHBondContact O-OG 2.89Å; P98-A102 PolarHBondContact O-N 3.49Å; P98-A102 VanDerWaalsContact O-N 3.12Å; P98-Y115 HydrophobicContact CB-CE2 4.24Å; P98-Y115 HydrophobicContact CG-CD2 4.13Å; P98-Y115 HydrophobicContact CG-CE2 3.57Å
99I84.8Confident76.8Confident22 Ų2250.8 Ų50.811%0.11331%0.307CS..Hα-helixtrans-69.4-43-177.1-56.6166.8000110.4W16 F95 V96 L97 S101 A102 F103 F867W16-I99 HydrophobicContact CZ2-CD1 3.93Å; F95-I99 HydrophobicContact CD1-CD1 4.42Å; F95-I99 HydrophobicContact CD2-CD1 4.25Å; F95-I99 HydrophobicContact CE1-CD1 4.14Å; F95-I99 HydrophobicContact CE2-CD1 3.94Å; F95-I99 HydrophobicContact CG-CD1 4.48Å; F95-I99 HydrophobicContact CZ-CD1 3.89Å; F95-I99 VanDerWaalsContact O-CD1 3.26Å; F95-I99 WeakPolarHBondContact O-CD1 3.29Å; F95-I99 WeakPolarHBondContact O-CG1 3.36Å; V96-I99 WeakPolarHBondContact O-CA 3.27Å; V96-I99 WeakPolarHBondContact O-CB 3.28Å; V96-I99 PolarHBondContact O-N 3.38Å; L97-I99 VanDerWaalsContact C-N 3.29Å; L97-I99 PolarHBondContact O-N 3.41Å; I99-S101 PolarHBondContact O-N 3.38Å; I99-A102 PolarHBondContact O-N 2.9Å; I99-A102 VanDerWaalsContact O-N 3.16Å; I99-F103 HydrophobicContact CG2-CD2 3.74Å; I99-F103 HydrophobicContact CG2-CE2 3.51Å; I99-F103 WeakPolarHBondContact O-CD2 3.41Å; I99-F103 PolarHBondContact O-N 3.26Å; I99-F867 HydrophobicContact CB-CE1 4.37Å; I99-F867 HydrophobicContact CB-CZ 3.96Å; I99-F867 HydrophobicContact CD1-CZ 4.41Å; I99-F867 HydrophobicContact CG2-CE1 3.93Å; I99-F867 HydrophobicContact CG2-CZ 3.66Å
100C83.9Confident75.1Confident1 Ų153.3 Ų53.31%0.00732%0.319CS..Hα-helixtrans-57.8-45.4173.2-66.70000112.2V96 L97 A102 F103 F867 V870 Y958V96-C100 PolarHBondContact O-N 2.98Å; L97-C100 PolarHBondContact O-N 3.01Å; C100-A102 VanDerWaalsContact C-N 3.26Å; C100-A102 PolarHBondContact O-N 3.42Å; C100-F103 PolarHBondContact O-N 2.76Å; C100-F867 VanDerWaalsContact SG-CD1 3.59Å; C100-V870 HydrophobicContact CB-CB 4.27Å; C100-V870 HydrophobicContact CB-CG1 4.05Å; C100-V870 HydrophobicContact CB-CG2 4.3Å; C100-Y958 PolarHBondContact SG-OH 3.28Å
101S77.9Confident73.6Confident31 Ų3154.2 Ų54.222%0.21732%0.323CS..Hα-helixtrans-63.7-28.1177.366.70000114.2L97 P98 I99 K111L97-S101 PolarHBondContact O-N 3.12Å; L97-S101 VanDerWaalsContact O-N 3.08Å; L97-S101 PolarHBondContact O-OG 2.99Å; P98-S101 PolarHBondContact O-N 3.18Å; P98-S101 PolarHBondContact O-OG 2.89Å; I99-S101 PolarHBondContact O-N 3.38Å; S101-K111 WeakPolarHBondContact CB-O 3.41Å
102A78.8Confident72.7Confident80 Ų8061 Ų6166%0.66134%0.342SS*.Hα-helixtrans-76-37.9179.500000113.2P98 I99 C100P98-A102 PolarHBondContact O-N 3.49Å; P98-A102 VanDerWaalsContact O-N 3.12Å; I99-A102 PolarHBondContact O-N 2.9Å; I99-A102 VanDerWaalsContact O-N 3.16Å; C100-A102 VanDerWaalsContact C-N 3.26Å; C100-A102 PolarHBondContact O-N 3.42Å
103F76.7Confident71.8Confident86 Ų8667 Ų6738%0.37736%0.364SS..Hα-helixtrans-76.5-24.7-176.2-83.4-66.8000114.6I99 C100 V105 Y958 A962I99-F103 HydrophobicContact CG2-CD2 3.74Å; I99-F103 HydrophobicContact CG2-CE2 3.51Å; I99-F103 WeakPolarHBondContact O-CD2 3.41Å; I99-F103 PolarHBondContact O-N 3.26Å; C100-F103 PolarHBondContact O-N 2.76Å; F103-V105 PolarHBondContact O-N 2.86Å; F103-V105 VanDerWaalsContact O-N 3.15Å; F103-Y958 HydrophobicContact CB-CD1 3.67Å; F103-Y958 HydrophobicContact CB-CE1 4.26Å; F103-Y958 HydrophobicContact CD2-CD1 4.01Å; F103-Y958 HydrophobicContact CD2-CE1 4.45Å; F103-Y958 AromaticContact CG-CD1 3.98Å; F103-Y958 HydrophobicContact CG-CD1 3.98Å; F103-A962 HydrophobicContact CD1-CB 4.09Å; F103-A962 HydrophobicContact CE1-CB 3.66Å; F103-A962 HydrophobicContact CZ-CB 4.02Å
104R67.3Low71Confident20 Ų2070.7 Ų70.78%0.07538%0.378CS..  trans-59.6118.3-170.5-175.5178.1165.4174.61.4112.7S106 K111 E874 Y957R104-S106 PolarHBondContact NE-O 3.13Å; R104-S106 PolarHBondContact O-N 2.7Å; R104-K111 WeakPolarHBondContact O-CE 3.4Å; R104-K111 PolarHBondContact O-NZ 3.37Å; R104-E874 IonicContact CZ-OE1 2.68Å; R104-E874 IonicContact CZ-OE2 3.95Å; R104-E874 IonicContact NE-OE1 3.69Å; R104-E874 IonicContact NE-OE2 2.65Å; R104-E874 PolarHBondContact NE-OE2 2.7Å; R104-E874 IonicContact NH1-OE1 3.16Å; R104-E874 PolarHBondContact NH1-OE1 3.37Å; R104-E874 IonicContact NH1-OE2 3.63Å; R104-E874 PolarHBondContact NH1-OE2 3.4Å; R104-E874 IonicContact NH2-OE2 3.3Å; R104-Y957 HydrophobicContact CB-CE1 4.16Å; R104-Y957 HydrophobicContact CB-CE2 4.19Å; R104-Y957 HydrophobicContact CG-CD2 4.45Å; R104-Y957 HydrophobicContact CG-CE2 3.81Å
105V59.9Low70.7Confident111 Ų11173.2 Ų73.267%0.67338%0.381SS*.  trans-74-25.6-168.9-177.80000114.6F103F103-V105 PolarHBondContact O-N 2.86Å; F103-V105 VanDerWaalsContact O-N 3.15Å
106S55.5Low70.5Confident74 Ų7473.5 Ų73.552%0.51738%0.383SS..SBendtrans-127140.9-16761.50000116.4R104R104-S106 PolarHBondContact NE-O 3.13Å; R104-S106 PolarHBondContact O-N 2.7Å
107S54.8Low70.2Confident68 Ų6877 Ų7748%0.47640%0.402SS..  trans60.5141.8179.778.40000116.2K111S107-K111 WeakPolarHBondContact O-CE 3.26Å; S107-K111 VanDerWaalsContact O-CG 3.3Å; S107-K111 WeakPolarHBondContact O-CG 3.36Å
108I55.1Low70Confident152 Ų15277.3 Ų77.378%0.77940%0.402SS*.SBendtrans-81.4-36.9-176.8-73171.3000112.1Q110 K111I108-Q110 PolarHBondContact O-N 3.19Å; I108-K111 PolarHBondContact O-N 3.05Å
109S54.4Low70.1Confident116 Ų11677 Ų7781%0.81140%0.399SS*.THydrogen-bonded Turntrans-71.9-26.7-162.1-40.40000115.8
110Q55.3Low70.1Confident113 Ų11380.8 Ų80.853%0.52842%0.418SS..THydrogen-bonded Turntrans-94.8-14.8-178.7-74.2-173.3-25.800114.2I108 R112 Y113I108-Q110 PolarHBondContact O-N 3.19Å; Q110-R112 PolarHBondContact O-N 3.45Å; Q110-Y113 PolarHBondContact O-N 2.8Å
111K54.2Low70.1Confident71 Ų7186.6 Ų86.631%0.30944%0.443SS..THydrogen-bonded Turntrans-57.7-20.2-171.9-64.3-168.1174.5-155.30115.1S101 R104 S107 I108S101-K111 WeakPolarHBondContact CB-O 3.41Å; R104-K111 WeakPolarHBondContact O-CE 3.4Å; R104-K111 PolarHBondContact O-NZ 3.37Å; S107-K111 WeakPolarHBondContact O-CE 3.26Å; S107-K111 VanDerWaalsContact O-CG 3.3Å; S107-K111 WeakPolarHBondContact O-CG 3.36Å; I108-K111 PolarHBondContact O-N 3.05Å
112R64.2Low70.4Confident164 Ų16487 Ų8762%0.61944%0.442SS*.THydrogen-bonded Turntrans-94.8-25-175.4-95.8166.1177.2-108.53.9114.7Q110 Y114 Y115 E116Q110-R112 PolarHBondContact O-N 3.45Å; R112-Y114 PolarHBondContact O-N 3.34Å; R112-Y115 PolarHBondContact O-N 2.95Å; R112-E116 HydrophobicContact CB-CG 3.96Å; R112-E116 WeakPolarHBondContact CB-OE2 3.27Å; R112-E116 WeakPolarHBondContact CD-OE1 3.4Å; R112-E116 HydrophobicContact CG-CG 4.16Å; R112-E116 IonicContact CZ-OE1 2.83Å; R112-E116 IonicContact NE-OE1 2.67Å; R112-E116 IonicContact NH1-OE1 3.63Å; R112-E116 PolarHBondContact NH1-OE1 3.27Å; R112-E116 WeakPolarHBondContact O-CB 3.38Å; R112-E116 WeakPolarHBondContact O-CG 3.47Å; R112-E116 PolarHBondContact O-N 2.83Å
113Y71.1Confident70.9Confident142 Ų14289.6 Ų89.656%0.55744%0.435SS*.Hα-helixtrans-55.4-57.8-158.1-176.8-101.7000114.6Q110 Y115 E116 N117Q110-Y113 PolarHBondContact O-N 2.8Å; Y113-Y115 PolarHBondContact O-N 3.45Å; Y113-E116 PolarHBondContact O-N 2.95Å; Y113-N117 WeakPolarHBondContact CD2-ND2 3.45Å; Y113-N117 VanDerWaalsContact CE2-ND2 3.28Å; Y113-N117 WeakPolarHBondContact CE2-ND2 3.11Å; Y113-N117 WeakPolarHBondContact O-CB 3.33Å; Y113-N117 PolarHBondContact O-N 3.32Å; Y113-N117 PolarHBondContact O-ND2 3.32Å
114Y70.8Confident71.3Confident85 Ų8588.7 Ų88.733%0.33344%0.439SS..Hα-helixtrans-66.4-36.8-177.1-64.6-68.9000113.1R112 F118 V870 L873 E874R112-Y114 PolarHBondContact O-N 3.34Å; Y114-F118 WeakPolarHBondContact O-CB 3.06Å; Y114-F118 PolarHBondContact O-N 3.28Å; Y114-V870 HydrophobicContact CD2-CG1 4.5Å; Y114-L873 HydrophobicContact CE1-CD1 4.09Å; Y114-E874 HydrophobicContact CE2-CG 4.02Å
115Y76Confident72Confident75 Ų7590.8 Ų90.829%0.29445%0.451SS..Hα-helixtrans-70.7-41.4179178.2-124.8000112L97 P98 R112 Y113 F118 L119L97-Y115 HydrophobicContact CB-CD2 4.11Å; P98-Y115 HydrophobicContact CB-CE2 4.24Å; P98-Y115 HydrophobicContact CG-CD2 4.13Å; P98-Y115 HydrophobicContact CG-CE2 3.57Å; R112-Y115 PolarHBondContact O-N 2.95Å; Y113-Y115 PolarHBondContact O-N 3.45Å; Y115-F118 PolarHBondContact O-N 3.39Å; Y115-L119 HydrophobicContact CD1-CD1 4.24Å; Y115-L119 HydrophobicContact CD2-CG 4.31Å; Y115-L119 HydrophobicContact CE1-CD1 3.72Å; Y115-L119 HydrophobicContact CE1-CG 4.49Å; Y115-L119 HydrophobicContact CE2-CD1 4Å; Y115-L119 HydrophobicContact CE2-CD2 4.12Å; Y115-L119 HydrophobicContact CE2-CG 3.9Å; Y115-L119 WeakPolarHBondContact O-CG 3.44Å; Y115-L119 PolarHBondContact O-N 2.95Å
116E82.9Confident73.2Confident73 Ų7388 Ų8834%0.34144%0.437SS..Hα-helixtrans-66.9-41.4174.6-73.1-175.8156.600112.2R112 Y113 F118 L119 I120R112-E116 HydrophobicContact CB-CG 3.96Å; R112-E116 WeakPolarHBondContact CB-OE2 3.27Å; R112-E116 WeakPolarHBondContact CD-OE1 3.4Å; R112-E116 HydrophobicContact CG-CG 4.16Å; R112-E116 IonicContact CZ-OE1 2.83Å; R112-E116 IonicContact NE-OE1 2.67Å; R112-E116 IonicContact NH1-OE1 3.63Å; R112-E116 PolarHBondContact NH1-OE1 3.27Å; R112-E116 WeakPolarHBondContact O-CB 3.38Å; R112-E116 WeakPolarHBondContact O-CG 3.47Å; R112-E116 PolarHBondContact O-N 2.83Å; Y113-E116 PolarHBondContact O-N 2.95Å; E116-F118 VanDerWaalsContact C-N 3.31Å; E116-F118 PolarHBondContact O-N 3.46Å; E116-L119 PolarHBondContact O-N 2.85Å; E116-I120 WeakPolarHBondContact O-CB 3.29Å; E116-I120 WeakPolarHBondContact O-CD1 3.3Å; E116-I120 WeakPolarHBondContact O-CG1 3.47Å; E116-I120 PolarHBondContact O-N 2.87Å
117N80.6Confident74.7Confident74 Ų7489.8 Ų89.840%0.39644%0.44SS..Hα-helixtrans-62.5-38.9174.3-80.5-87000111.8Y113 F121Y113-N117 WeakPolarHBondContact CD2-ND2 3.45Å; Y113-N117 VanDerWaalsContact CE2-ND2 3.28Å; Y113-N117 WeakPolarHBondContact CE2-ND2 3.11Å; Y113-N117 WeakPolarHBondContact O-CB 3.33Å; Y113-N117 PolarHBondContact O-N 3.32Å; Y113-N117 PolarHBondContact O-ND2 3.32Å; N117-F121 WeakPolarHBondContact O-CB 3.2Å; N117-F121 PolarHBondContact O-N 2.9Å
118F82.4Confident76.1Confident27 Ų2792.1 Ų92.112%0.11845%0.446CS..Hα-helixtrans-63.1-49.1173.3175-97.4000111.9E90 C93 L97 Y114 Y115 E116 I120 F121 Q122E90-F118 HydrophobicContact CG-CE2 4.44Å; E90-F118 HydrophobicContact CG-CZ 4.05Å; C93-F118 HydrophobicContact CB-CD2 3.82Å; C93-F118 HydrophobicContact CB-CE1 4.42Å; C93-F118 HydrophobicContact CB-CE2 3.29Å; C93-F118 HydrophobicContact CB-CZ 3.64Å; L97-F118 HydrophobicContact CD1-CB 3.61Å; L97-F118 HydrophobicContact CD1-CD1 4.19Å; L97-F118 HydrophobicContact CD1-CD2 3.99Å; L97-F118 HydrophobicContact CD1-CG 3.64Å; Y114-F118 WeakPolarHBondContact O-CB 3.06Å; Y114-F118 PolarHBondContact O-N 3.28Å; Y115-F118 PolarHBondContact O-N 3.39Å; E116-F118 VanDerWaalsContact C-N 3.31Å; E116-F118 PolarHBondContact O-N 3.46Å; F118-I120 PolarHBondContact O-N 3.12Å; F118-F121 PolarHBondContact O-N 3.11Å; F118-Q122 WeakPolarHBondContact O-CB 3.4Å; F118-Q122 PolarHBondContact O-N 3.16Å
119L84.5Confident77.3Confident32 Ų3287.2 Ų87.217%0.16843%0.428CS..Hα-helixtrans-60.6-43.1177.1-73.9179000112.4Y115 E116 F121 Q122 Y123Y115-L119 HydrophobicContact CD1-CD1 4.24Å; Y115-L119 HydrophobicContact CD2-CG 4.31Å; Y115-L119 HydrophobicContact CE1-CD1 3.72Å; Y115-L119 HydrophobicContact CE1-CG 4.49Å; Y115-L119 HydrophobicContact CE2-CD1 4Å; Y115-L119 HydrophobicContact CE2-CD2 4.12Å; Y115-L119 HydrophobicContact CE2-CG 3.9Å; Y115-L119 WeakPolarHBondContact O-CG 3.44Å; Y115-L119 PolarHBondContact O-N 2.95Å; E116-L119 PolarHBondContact O-N 2.85Å; L119-F121 VanDerWaalsContact C-N 3.34Å; L119-F121 PolarHBondContact O-N 3.34Å; L119-Q122 PolarHBondContact O-N 3.45Å; L119-Y123 HydrophobicContact CB-CE2 4.03Å; L119-Y123 WeakPolarHBondContact O-CB 3.22Å; L119-Y123 WeakPolarHBondContact O-CD2 3.23Å; L119-Y123 PolarHBondContact O-N 3.38Å
120I86.3Confident78.8Confident101 Ų10187.1 Ų87.152%0.51842%0.418SS..Hα-helixtrans-60.3-45.2176-71163000110.3E116 F118 C124E116-I120 WeakPolarHBondContact O-CB 3.29Å; E116-I120 WeakPolarHBondContact O-CD1 3.3Å; E116-I120 WeakPolarHBondContact O-CG1 3.47Å; E116-I120 PolarHBondContact O-N 2.87Å; F118-I120 PolarHBondContact O-N 3.12Å; I120-C124 VanDerWaalsContact O-CB 3.31Å; I120-C124 WeakPolarHBondContact O-CB 3.42Å; I120-C124 PolarHBondContact O-N 2.84Å; I120-C124 PolarHBondContact O-SG 3.12Å
121F82.9Confident80.1Confident123 Ų12384.2 Ų84.254%0.53941%0.414SS..Hα-helixtrans-63.9-44.6176.9-178.4-104000112N117 F118 L119 C124 L125N117-F121 WeakPolarHBondContact O-CB 3.2Å; N117-F121 PolarHBondContact O-N 2.9Å; F118-F121 PolarHBondContact O-N 3.11Å; L119-F121 VanDerWaalsContact C-N 3.34Å; L119-F121 PolarHBondContact O-N 3.34Å; F121-C124 PolarHBondContact O-N 2.99Å; F121-L125 HydrophobicContact CD1-CD1 4.03Å; F121-L125 HydrophobicContact CD1-CG 4.5Å; F121-L125 HydrophobicContact CE1-CD1 3.42Å; F121-L125 VanDerWaalsContact CE1-CD1 3.42Å; F121-L125 HydrophobicContact CE1-CG 4.14Å; F121-L125 HydrophobicContact CE2-CG 4.48Å; F121-L125 HydrophobicContact CZ-CD1 3.7Å; F121-L125 HydrophobicContact CZ-CD2 4.44Å; F121-L125 HydrophobicContact CZ-CG 4.13Å; F121-L125 PolarHBondContact O-N 3.01Å
122Q84.5Confident81.5Confident39 Ų3988.3 Ų88.318%0.18243%0.428CS..Hα-helixtrans-59.6-51.8177-171.1174.230.800111.2E90 F118 L119 C124 L125 S126E90-Q122 WeakPolarHBondContact OE1-CG 3.24Å; E90-Q122 PolarHBondContact OE1-NE2 2.98Å; F118-Q122 WeakPolarHBondContact O-CB 3.4Å; F118-Q122 PolarHBondContact O-N 3.16Å; L119-Q122 PolarHBondContact O-N 3.45Å; Q122-C124 VanDerWaalsContact C-N 3.34Å; Q122-C124 PolarHBondContact O-N 3.1Å; Q122-L125 PolarHBondContact O-N 3.44Å; Q122-L125 VanDerWaalsContact O-N 3.16Å; Q122-S126 PolarHBondContact O-N 3.31Å; Q122-S126 PolarHBondContact O-OG 3.16Å
123Y88.5Confident82.3Confident135 Ų13584.9 Ų84.953%0.52942%0.422SS..Hα-helixtrans-62.1-39.3177.7-59.8-30.4000112.4L119 S126 I127L119-Y123 HydrophobicContact CB-CE2 4.03Å; L119-Y123 WeakPolarHBondContact O-CB 3.22Å; L119-Y123 WeakPolarHBondContact O-CD2 3.23Å; L119-Y123 PolarHBondContact O-N 3.38Å; Y123-S126 PolarHBondContact O-N 3.24Å; Y123-I127 WeakPolarHBondContact O-CB 3.43Å; Y123-I127 WeakPolarHBondContact O-CD1 3.25Å; Y123-I127 VanDerWaalsContact O-CG1 3.24Å; Y123-I127 WeakPolarHBondContact O-CG1 3.25Å; Y123-I127 PolarHBondContact O-N 3.36Å
124C86.5Confident83.1Confident68 Ų6885.1 Ų85.146%0.45943%0.428SS..Hα-helixtrans-61.6-42.6173.5-77.50000112.2I120 F121 Q122 I127 L128I120-C124 VanDerWaalsContact O-CB 3.31Å; I120-C124 WeakPolarHBondContact O-CB 3.42Å; I120-C124 PolarHBondContact O-N 2.84Å; I120-C124 PolarHBondContact O-SG 3.12Å; F121-C124 PolarHBondContact O-N 2.99Å; Q122-C124 VanDerWaalsContact C-N 3.34Å; Q122-C124 PolarHBondContact O-N 3.1Å; C124-I127 PolarHBondContact O-N 3.09Å; C124-L128 WeakPolarHBondContact O-CB 3.38Å; C124-L128 VanDerWaalsContact O-CG 3.3Å; C124-L128 WeakPolarHBondContact O-CG 3.27Å; C124-L128 PolarHBondContact O-N 2.98Å
125L81.3Confident83.7Confident63 Ų6384.7 Ų84.733%0.3344%0.438SS..Hα-helixtrans-64.9-42.5173.4-73.6-176000112F86 F121 Q122 I127 L128 A129F86-L125 HydrophobicContact CZ-CD1 4.08Å; F121-L125 HydrophobicContact CD1-CD1 4.03Å; F121-L125 HydrophobicContact CD1-CG 4.5Å; F121-L125 HydrophobicContact CE1-CD1 3.42Å; F121-L125 VanDerWaalsContact CE1-CD1 3.42Å; F121-L125 HydrophobicContact CE1-CG 4.14Å; F121-L125 HydrophobicContact CE2-CG 4.48Å; F121-L125 HydrophobicContact CZ-CD1 3.7Å; F121-L125 HydrophobicContact CZ-CD2 4.44Å; F121-L125 HydrophobicContact CZ-CG 4.13Å; F121-L125 PolarHBondContact O-N 3.01Å; Q122-L125 PolarHBondContact O-N 3.44Å; Q122-L125 VanDerWaalsContact O-N 3.16Å; L125-I127 PolarHBondContact O-N 3.48Å; L125-L128 PolarHBondContact O-N 2.79Å; L125-A129 WeakPolarHBondContact O-CB 3.48Å; L125-A129 PolarHBondContact O-N 3.41Å
126S86Confident84Confident54 Ų5484 Ų8438%0.37844%0.439SS..Hα-helixtrans-60.5-43.3176.1-52.70000111.8Q122 Y123 A129 L130Q122-S126 PolarHBondContact O-N 3.31Å; Q122-S126 PolarHBondContact O-OG 3.16Å; Y123-S126 PolarHBondContact O-N 3.24Å; S126-A129 PolarHBondContact O-N 2.91Å; S126-L130 WeakPolarHBondContact O-CB 3.34Å; S126-L130 VanDerWaalsContact O-CG 3.27Å; S126-L130 WeakPolarHBondContact O-CG 3.15Å; S126-L130 PolarHBondContact O-N 2.91Å
127I87.4Confident84.1Confident111 Ų11186 Ų8657%0.56945%0.451SS*.Hα-helixtrans-64.4-42.7176.9-69.7163000110.9Y123 C124 L125 L130 A131Y123-I127 WeakPolarHBondContact O-CB 3.43Å; Y123-I127 WeakPolarHBondContact O-CD1 3.25Å; Y123-I127 VanDerWaalsContact O-CG1 3.24Å; Y123-I127 WeakPolarHBondContact O-CG1 3.25Å; Y123-I127 PolarHBondContact O-N 3.36Å; C124-I127 PolarHBondContact O-N 3.09Å; L125-I127 PolarHBondContact O-N 3.48Å; I127-L130 PolarHBondContact O-N 3.43Å; I127-A131 WeakPolarHBondContact O-CB 3.47Å; I127-A131 PolarHBondContact O-N 2.93Å
128L83.6Confident84.3Confident117 Ų11788.8 Ų88.861%0.61346%0.459SS*.Hα-helixtrans-64.4-39.3175.4-73169.1000112.3C124 L125 Y132C124-L128 WeakPolarHBondContact O-CB 3.38Å; C124-L128 VanDerWaalsContact O-CG 3.3Å; C124-L128 WeakPolarHBondContact O-CG 3.27Å; C124-L128 PolarHBondContact O-N 2.98Å; L125-L128 PolarHBondContact O-N 2.79Å; L128-Y132 WeakPolarHBondContact O-CB 3.27Å; L128-Y132 PolarHBondContact O-N 3.03Å
129A80.4Confident84.4Confident49 Ų4994.1 Ų94.141%0.40548%0.48SS..Hα-helixtrans-66.3-44.6175.900000111.8L125 S126 Y132 L133L125-A129 WeakPolarHBondContact O-CB 3.48Å; L125-A129 PolarHBondContact O-N 3.41Å; S126-A129 PolarHBondContact O-N 2.91Å; A129-Y132 PolarHBondContact O-N 3.41Å; A129-L133 WeakPolarHBondContact O-CB 3.5Å; A129-L133 VanDerWaalsContact O-CG 3.29Å; A129-L133 WeakPolarHBondContact O-CG 3.37Å; A129-L133 PolarHBondContact O-N 2.82Å
130L84.4Confident84.2Confident113 Ų11398.4 Ų98.459%0.59249%0.494SS*.Hα-helixtrans-62-44.3174.9-72.7168.4000111.7S126 I127 Y132 L133 Q134S126-L130 WeakPolarHBondContact O-CB 3.34Å; S126-L130 VanDerWaalsContact O-CG 3.27Å; S126-L130 WeakPolarHBondContact O-CG 3.15Å; S126-L130 PolarHBondContact O-N 2.91Å; I127-L130 PolarHBondContact O-N 3.43Å; L130-Y132 VanDerWaalsContact C-N 3.35Å; L130-Y132 PolarHBondContact O-N 2.88Å; L130-L133 PolarHBondContact O-N 3.19Å; L130-Q134 WeakPolarHBondContact O-CB 3.38Å; L130-Q134 PolarHBondContact O-N 2.8Å
131A84.1Confident84Confident53 Ų5397.7 Ų97.744%0.43849%0.491SS..Hα-helixtrans-63.5-38.7175.900000112.4I127 S135I127-A131 WeakPolarHBondContact O-CB 3.47Å; I127-A131 PolarHBondContact O-N 2.93Å; A131-S135 VanDerWaalsContact O-CB 3.26Å; A131-S135 WeakPolarHBondContact O-CB 3.34Å; A131-S135 PolarHBondContact O-N 2.76Å
132Y82.6Confident84.1Confident156 Ų15699.2 Ų99.261%0.61249%0.494SS*.Hα-helixtrans-65.5-46.1173.7176.7-102.2000112L128 A129 L130 S135 L136L128-Y132 WeakPolarHBondContact O-CB 3.27Å; L128-Y132 PolarHBondContact O-N 3.03Å; A129-Y132 PolarHBondContact O-N 3.41Å; L130-Y132 VanDerWaalsContact C-N 3.35Å; L130-Y132 PolarHBondContact O-N 2.88Å; Y132-S135 WeakPolarHBondContact O-CB 3.42Å; Y132-S135 PolarHBondContact O-N 2.84Å; Y132-L136 HydrophobicContact CE1-CD1 3.97Å; Y132-L136 WeakPolarHBondContact O-CB 3.41Å; Y132-L136 PolarHBondContact O-N 2.77Å
133L82Confident83.9Confident93 Ų93101.7 Ų101.749%0.48750%0.504SS..Hα-helixtrans-62.7-44.3177.4-73.2168.7000111.7A129 L130 S135 L136 I137A129-L133 WeakPolarHBondContact O-CB 3.5Å; A129-L133 VanDerWaalsContact O-CG 3.29Å; A129-L133 WeakPolarHBondContact O-CG 3.37Å; A129-L133 PolarHBondContact O-N 2.82Å; L130-L133 PolarHBondContact O-N 3.19Å; L133-S135 PolarHBondContact O-N 2.72Å; L133-L136 PolarHBondContact O-N 3.29Å; L133-I137 WeakPolarHBondContact O-CB 3.49Å; L133-I137 VanDerWaalsContact O-CG1 3.27Å; L133-I137 WeakPolarHBondContact O-CG1 3.36Å; L133-I137 PolarHBondContact O-N 3.21Å
134Q86.7Confident83.4Confident146 Ų14699.4 Ų99.468%0.68250%0.498SS*.Hα-helixtrans-62.6-41.1176.1-172.91782.300111.9L130 F138L130-Q134 WeakPolarHBondContact O-CB 3.38Å; L130-Q134 PolarHBondContact O-N 2.8Å; Q134-F138 WeakPolarHBondContact O-CB 3.48Å; Q134-F138 PolarHBondContact O-N 3.44Å
135S83.6Confident83.1Confident77 Ų7799.7 Ų99.754%0.53850%0.495SS..Hα-helixtrans-63.4-40.1173.6-174.80000112.2A131 Y132 L133 Y139A131-S135 VanDerWaalsContact O-CB 3.26Å; A131-S135 WeakPolarHBondContact O-CB 3.34Å; A131-S135 PolarHBondContact O-N 2.76Å; Y132-S135 WeakPolarHBondContact O-CB 3.42Å; Y132-S135 PolarHBondContact O-N 2.84Å; L133-S135 PolarHBondContact O-N 2.72Å; S135-Y139 WeakPolarHBondContact O-CB 3.44Å; S135-Y139 PolarHBondContact O-N 3.01Å
136L82.1Confident83.1Confident61 Ų61101.4 Ų101.432%0.31950%0.504SS..Hα-helixtrans-69.1-43.3177.9-172.4145.3000111.8Y132 L133 Y139 Y140Y132-L136 HydrophobicContact CE1-CD1 3.97Å; Y132-L136 WeakPolarHBondContact O-CB 3.41Å; Y132-L136 PolarHBondContact O-N 2.77Å; L133-L136 PolarHBondContact O-N 3.29Å; L136-Y139 PolarHBondContact O-N 3.26Å; L136-Y140 HydrophobicContact CD1-CE2 4.45Å; L136-Y140 HydrophobicContact CD2-CD2 3.66Å; L136-Y140 HydrophobicContact CD2-CE2 3.93Å; L136-Y140 HydrophobicContact CG-CD2 3.88Å; L136-Y140 HydrophobicContact CG-CE2 3.94Å; L136-Y140 WeakPolarHBondContact O-CD2 3.2Å; L136-Y140 PolarHBondContact O-N 2.91Å
137I84.6Confident82.6Confident115 Ų115104.7 Ų104.759%0.5951%0.508SS*.Hα-helixtrans-58.6-50.2173.2-69.7162.9000109.9L133 Y139 Y140 D141L133-I137 WeakPolarHBondContact O-CB 3.49Å; L133-I137 VanDerWaalsContact O-CG1 3.27Å; L133-I137 WeakPolarHBondContact O-CG1 3.36Å; L133-I137 PolarHBondContact O-N 3.21Å; I137-Y139 VanDerWaalsContact C-N 3.31Å; I137-Y139 PolarHBondContact O-N 3.28Å; I137-Y140 PolarHBondContact O-N 2.92Å; I137-D141 WeakPolarHBondContact O-CB 3.49Å; I137-D141 PolarHBondContact O-N 3.43Å
138F86.5Confident82Confident132 Ų132104.4 Ų104.458%0.57950%0.504SS*.Hα-helixtrans-61.2-36.6177.4179.7-103.8000113.1Q134 R142Q134-F138 WeakPolarHBondContact O-CB 3.48Å; Q134-F138 PolarHBondContact O-N 3.44Å; F138-R142 WeakPolarHBondContact O-CB 3.43Å; F138-R142 PolarHBondContact O-N 2.95Å; F138-R142 VanDerWaalsContact O-N 3.1Å
139Y83Confident81.9Confident139 Ų139105.6 Ų105.655%0.54550%0.504SS..Hα-helixtrans-66-44174.6174.6-93.5000112.3S135 L136 I137 K143S135-Y139 WeakPolarHBondContact O-CB 3.44Å; S135-Y139 PolarHBondContact O-N 3.01Å; L136-Y139 PolarHBondContact O-N 3.26Å; I137-Y139 VanDerWaalsContact C-N 3.31Å; I137-Y139 PolarHBondContact O-N 3.28Å; Y139-K143 HydrophobicContact CE1-CD 4.24Å; Y139-K143 WeakPolarHBondContact O-CB 3.48Å; Y139-K143 PolarHBondContact O-N 3.13Å; Y139-K143 VanDerWaalsContact O-N 3.09Å
140Y80.4Confident81.7Confident121 Ų121110 Ų11048%0.47552%0.517SS..Hα-helixtrans-75.1-42.6-179.1-83.9-75.9000112.9L136 I137 R142 K143 E144L136-Y140 HydrophobicContact CD1-CE2 4.45Å; L136-Y140 HydrophobicContact CD2-CD2 3.66Å; L136-Y140 HydrophobicContact CD2-CE2 3.93Å; L136-Y140 HydrophobicContact CG-CD2 3.88Å; L136-Y140 HydrophobicContact CG-CE2 3.94Å; L136-Y140 WeakPolarHBondContact O-CD2 3.2Å; L136-Y140 PolarHBondContact O-N 2.91Å; I137-Y140 PolarHBondContact O-N 2.92Å; Y140-R142 VanDerWaalsContact C-N 3.31Å; Y140-R142 PolarHBondContact O-N 3.27Å; Y140-K143 HydrophobicContact CD1-CD 4.33Å; Y140-K143 HydrophobicContact CE1-CD 4.39Å; Y140-K143 CarbonylContact O-C 3.53Å; Y140-K143 WeakPolarHBondContact O-CA 3.23Å; Y140-K143 WeakPolarHBondContact O-CB 3.39Å; Y140-K143 PolarHBondContact O-N 3.43Å; Y140-E144 WeakPolarHBondContact O-CB 3.47Å; Y140-E144 PolarHBondContact O-N 2.95Å
141D83.1Confident81.3Confident86 Ų86108.9 Ų108.946%0.4651%0.508SS..Hα-helixtrans-54.3-47.9170.3167.686.9000111I137 K143 E144 N145I137-D141 WeakPolarHBondContact O-CB 3.49Å; I137-D141 PolarHBondContact O-N 3.43Å; D141-K143 PolarHBondContact O-N 3.36Å; D141-E144 WeakPolarHBondContact O-CB 3.49Å; D141-E144 PolarHBondContact O-N 2.91Å; D141-N145 VanDerWaalsContact CG-ND2 3.28Å; D141-N145 WeakPolarHBondContact O-CB 3.34Å; D141-N145 PolarHBondContact O-N 3.32Å; D141-N145 PolarHBondContact O-ND2 2.83Å; D141-N145 VanDerWaalsContact O-ND2 3.14Å; D141-N145 PolarHBondContact OD1-ND2 3.47Å; D141-N145 PolarHBondContact OD2-ND2 3.45Å; D141-N145 VanDerWaalsContact OD2-ND2 3.08Å
142R84.6Confident81.1Confident156 Ų156111.2 Ų111.259%0.58951%0.512SS*.Hα-helixtrans-62.1-33.1177.6-176173179.3164.41.1112.2F138 Y140 L146F138-R142 WeakPolarHBondContact O-CB 3.43Å; F138-R142 PolarHBondContact O-N 2.95Å; F138-R142 VanDerWaalsContact O-N 3.1Å; Y140-R142 VanDerWaalsContact C-N 3.31Å; Y140-R142 PolarHBondContact O-N 3.27Å; R142-L146 HydrophobicContact CG-CD1 4.37Å; R142-L146 WeakPolarHBondContact O-CB 3.46Å; R142-L146 WeakPolarHBondContact O-CD1 3.23Å; R142-L146 WeakPolarHBondContact O-CG 3.4Å; R142-L146 PolarHBondContact O-N 2.99Å; R142-L146 VanDerWaalsContact O-N 3.12Å
143K80.1Confident81Confident91 Ų91108.7 Ų108.740%0.39651%0.509SS..Hα-helixtrans-75.2-35.9176.6-173.9179.8177.2-176.90112.2Y139 Y140 D141 L146 R147Y139-K143 HydrophobicContact CE1-CD 4.24Å; Y139-K143 WeakPolarHBondContact O-CB 3.48Å; Y139-K143 PolarHBondContact O-N 3.13Å; Y139-K143 VanDerWaalsContact O-N 3.09Å; Y140-K143 HydrophobicContact CD1-CD 4.33Å; Y140-K143 HydrophobicContact CE1-CD 4.39Å; Y140-K143 CarbonylContact O-C 3.53Å; Y140-K143 WeakPolarHBondContact O-CA 3.23Å; Y140-K143 WeakPolarHBondContact O-CB 3.39Å; Y140-K143 PolarHBondContact O-N 3.43Å; D141-K143 PolarHBondContact O-N 3.36Å; K143-L146 PolarHBondContact O-N 3.35Å; K143-R147 PolarHBondContact O-N 2.67Å
144E78.2Confident80.8Confident87 Ų87108.3 Ų108.341%0.40750%0.504SS..Hα-helixtrans-63.7-54.3172.7-159.397.1-90.700110.5Y140 D141 L146 R147 H148Y140-E144 WeakPolarHBondContact O-CB 3.47Å; Y140-E144 PolarHBondContact O-N 2.95Å; D141-E144 WeakPolarHBondContact O-CB 3.49Å; D141-E144 PolarHBondContact O-N 2.91Å; E144-L146 PolarHBondContact O-N 3.19Å; E144-R147 WeakPolarHBondContact O-CA 3.39Å; E144-R147 WeakPolarHBondContact O-CB 3.21Å; E144-R147 PolarHBondContact O-N 3.39Å; E144-R147 IonicContact OE1-CZ 3.53Å; E144-R147 IonicContact OE1-NE 3.78Å; E144-R147 IonicContact OE1-NH2 2.85Å; E144-R147 PolarHBondContact OE1-NH2 2.8Å; E144-H148 PolarHBondContact O-N 3.44Å
145N80.3Confident80.2Confident74 Ų74106.2 Ų106.240%0.39650%0.495SS..Hα-helixtrans-57.7-30.8174.9-85.3-66.2000112.9D141 K149D141-N145 VanDerWaalsContact CG-ND2 3.28Å; D141-N145 WeakPolarHBondContact O-CB 3.34Å; D141-N145 PolarHBondContact O-N 3.32Å; D141-N145 PolarHBondContact O-ND2 2.83Å; D141-N145 VanDerWaalsContact O-ND2 3.14Å; D141-N145 PolarHBondContact OD1-ND2 3.47Å; D141-N145 PolarHBondContact OD2-ND2 3.45Å; D141-N145 VanDerWaalsContact OD2-ND2 3.08Å; N145-K149 WeakPolarHBondContact O-CB 3.43Å; N145-K149 WeakPolarHBondContact O-CD 3.3Å; N145-K149 WeakPolarHBondContact O-CG 3.4Å; N145-K149 PolarHBondContact O-N 3.14Å
146L80.5Confident80.1Confident99 Ų99107.1 Ų107.152%0.51849%0.494SS..Hα-helixtrans-75.3-37.3171.8-78168.7000112.9R142 K143 E144 Q150R142-L146 HydrophobicContact CG-CD1 4.37Å; R142-L146 WeakPolarHBondContact O-CB 3.46Å; R142-L146 WeakPolarHBondContact O-CD1 3.23Å; R142-L146 WeakPolarHBondContact O-CG 3.4Å; R142-L146 PolarHBondContact O-N 2.99Å; R142-L146 VanDerWaalsContact O-N 3.12Å; K143-L146 PolarHBondContact O-N 3.35Å; E144-L146 PolarHBondContact O-N 3.19Å; L146-Q150 WeakPolarHBondContact O-CG 3.32Å; L146-Q150 PolarHBondContact O-N 3.36Å
147R75.8Confident80Confident122 Ų122109.5 Ų109.546%0.4650%0.503SS..Hα-helixtrans-64.7-52172.8-77.2-167.4-66.8-173.31.4111.5K143 E144 K149 Q150 E151K143-R147 PolarHBondContact O-N 2.67Å; E144-R147 WeakPolarHBondContact O-CA 3.39Å; E144-R147 WeakPolarHBondContact O-CB 3.21Å; E144-R147 PolarHBondContact O-N 3.39Å; E144-R147 IonicContact OE1-CZ 3.53Å; E144-R147 IonicContact OE1-NE 3.78Å; E144-R147 IonicContact OE1-NH2 2.85Å; E144-R147 PolarHBondContact OE1-NH2 2.8Å; R147-K149 VanDerWaalsContact C-N 3.27Å; R147-K149 PolarHBondContact O-N 2.95Å; R147-Q150 CarbonylContact O-C 3.52Å; R147-Q150 WeakPolarHBondContact O-CA 3.3Å; R147-Q150 WeakPolarHBondContact O-CB 3.33Å; R147-Q150 PolarHBondContact O-N 3.13Å; R147-E151 WeakPolarHBondContact O-CG 3.44Å; R147-E151 PolarHBondContact O-N 2.94Å
148H74.6Confident79.4Confident105 Ų105107.5 Ų107.549%0.48649%0.492SS..Hα-helixtrans-58.3-38176.2-81.7-24.6000112.6E144 Q150 E151 I152E144-H148 PolarHBondContact O-N 3.44Å; H148-Q150 VanDerWaalsContact C-N 3.35Å; H148-Q150 PolarHBondContact O-N 2.86Å; H148-E151 IonicContact CE1-OE2 3.52Å; H148-E151 IonicContact CG-OE2 3.58Å; H148-E151 IonicContact ND1-OE2 2.7Å; H148-E151 PolarHBondContact ND1-OE2 3.46Å; H148-E151 PolarHBondContact O-N 3.44Å; H148-I152 WeakPolarHBondContact O-CB 3.29Å; H148-I152 WeakPolarHBondContact O-CD1 3.19Å; H148-I152 WeakPolarHBondContact O-CG1 3.41Å; H148-I152 PolarHBondContact O-N 3.48Å
149K82.2Confident78.9Confident142 Ų142105.1 Ų105.162%0.61749%0.485SS*.Hα-helixtrans-66.3-33.6173-77.2174.6-178.3177.60113.2N145 R147 L153N145-K149 WeakPolarHBondContact O-CB 3.43Å; N145-K149 WeakPolarHBondContact O-CD 3.3Å; N145-K149 WeakPolarHBondContact O-CG 3.4Å; N145-K149 PolarHBondContact O-N 3.14Å; R147-K149 VanDerWaalsContact C-N 3.27Å; R147-K149 PolarHBondContact O-N 2.95Å; K149-L153 WeakPolarHBondContact O-CB 3.4Å; K149-L153 PolarHBondContact O-N 2.9Å
150Q77.3Confident78.6Confident142 Ų142102.8 Ų102.866%0.66448%0.479SS*.Hα-helixtrans-71.2-40.1171.9-74.7-179.6-29.400112.1L146 R147 H148 L153 F154L146-Q150 WeakPolarHBondContact O-CG 3.32Å; L146-Q150 PolarHBondContact O-N 3.36Å; R147-Q150 CarbonylContact O-C 3.52Å; R147-Q150 WeakPolarHBondContact O-CA 3.3Å; R147-Q150 WeakPolarHBondContact O-CB 3.33Å; R147-Q150 PolarHBondContact O-N 3.13Å; H148-Q150 VanDerWaalsContact C-N 3.35Å; H148-Q150 PolarHBondContact O-N 2.86Å; Q150-L153 PolarHBondContact O-N 3.4Å; Q150-F154 VanDerWaalsContact O-CB 3.23Å; Q150-F154 WeakPolarHBondContact O-CB 3.35Å; Q150-F154 PolarHBondContact O-N 2.86Å
151E75.9Confident78Confident89 Ų8999.5 Ų99.542%0.41648%0.478SS..Hα-helixtrans-66.5-46.8178.4-71.7158.1-176.400111.9R147 H148 L153 F154 M155R147-E151 WeakPolarHBondContact O-CG 3.44Å; R147-E151 PolarHBondContact O-N 2.94Å; H148-E151 IonicContact CE1-OE2 3.52Å; H148-E151 IonicContact CG-OE2 3.58Å; H148-E151 IonicContact ND1-OE2 2.7Å; H148-E151 PolarHBondContact ND1-OE2 3.46Å; H148-E151 PolarHBondContact O-N 3.44Å; E151-L153 VanDerWaalsContact C-N 3.34Å; E151-L153 PolarHBondContact O-N 3.44Å; E151-F154 PolarHBondContact O-N 2.79Å; E151-M155 WeakPolarHBondContact O-CB 3.41Å; E151-M155 VanDerWaalsContact O-CG 3.27Å; E151-M155 WeakPolarHBondContact O-CG 3.46Å; E151-M155 PolarHBondContact O-N 3.41Å
152I79.3Confident77.2Confident102 Ų102103.8 Ų103.852%0.52349%0.487SS..Hα-helixtrans-61-43.3175.3-68.5164.2000110.7H148 M155 N156H148-I152 WeakPolarHBondContact O-CB 3.29Å; H148-I152 WeakPolarHBondContact O-CD1 3.19Å; H148-I152 WeakPolarHBondContact O-CG1 3.41Å; H148-I152 PolarHBondContact O-N 3.48Å; I152-M155 PolarHBondContact O-N 3.2Å; I152-N156 WeakPolarHBondContact O-CB 3.33Å; I152-N156 PolarHBondContact O-N 2.66Å
153L80.5Confident76.3Confident103 Ų103104.1 Ų104.154%0.53949%0.489SS..Hα-helixtrans-69-35.2179.7-162.3151.6000111.6K149 Q150 E151 Q157K149-L153 WeakPolarHBondContact O-CB 3.4Å; K149-L153 PolarHBondContact O-N 2.9Å; Q150-L153 PolarHBondContact O-N 3.4Å; E151-L153 VanDerWaalsContact C-N 3.34Å; E151-L153 PolarHBondContact O-N 3.44Å; L153-Q157 WeakPolarHBondContact O-CG 3.29Å; L153-Q157 PolarHBondContact O-N 3.2Å; L153-Q157 VanDerWaalsContact O-N 3.11Å
154F78.2Confident75.5Confident86 Ų86107.1 Ų107.138%0.37750%0.497SS..Hα-helixtrans-67.7-45.1172.1-178.6-105.7000112.4Q150 E151 N156 Q157 M158Q150-F154 VanDerWaalsContact O-CB 3.23Å; Q150-F154 WeakPolarHBondContact O-CB 3.35Å; Q150-F154 PolarHBondContact O-N 2.86Å; E151-F154 PolarHBondContact O-N 2.79Å; F154-N156 VanDerWaalsContact C-N 3.35Å; F154-N156 PolarHBondContact O-N 2.81Å; F154-Q157 PolarHBondContact O-N 2.92Å; F154-M158 HydrophobicContact CD1-CE 4Å; F154-M158 HydrophobicContact CD1-CG 4.48Å; F154-M158 HydrophobicContact CD1-SD 4.32Å; F154-M158 HydrophobicContact CE1-CE 3.62Å; F154-M158 HydrophobicContact CE1-CG 4.14Å; F154-M158 HydrophobicContact CE1-SD 3.56Å; F154-M158 VanDerWaalsContact CE1-SD 3.56Å; F154-M158 HydrophobicContact CZ-CE 4.43Å; F154-M158 HydrophobicContact CZ-CG 4.18Å; F154-M158 HydrophobicContact CZ-SD 3.76Å; F154-M158 WeakPolarHBondContact O-CG 3.48Å; F154-M158 PolarHBondContact O-N 3.14Å
155M74.1Confident74.2Confident102 Ų102111.2 Ų111.250%0.50251%0.509SS..Hα-helixtrans-61.7-41175.7-73.3-66.5-177.300111.8E151 I152 M158 N159E151-M155 WeakPolarHBondContact O-CB 3.41Å; E151-M155 VanDerWaalsContact O-CG 3.27Å; E151-M155 WeakPolarHBondContact O-CG 3.46Å; E151-M155 PolarHBondContact O-N 3.41Å; I152-M155 PolarHBondContact O-N 3.2Å; M155-M158 HydrophobicContact CE-CE 4.23Å; M155-M158 PolarHBondContact O-N 3.08Å; M155-M158 HydrophobicContact SD-CE 3.44Å; M155-M158 WeakPolarHBondContact SD-CE 3.15Å; M155-N159 WeakPolarHBondContact O-CB 3.13Å; M155-N159 PolarHBondContact O-N 3.37Å; M155-N159 PolarHBondContact O-ND2 2.98Å
156N81.7Confident72.7Confident95 Ų95114.1 Ų114.151%0.50852%0.52SS..Hα-helixtrans-62.7-42.7174-76.4-15.9000112I152 F154 M158 N159 E160I152-N156 WeakPolarHBondContact O-CB 3.33Å; I152-N156 PolarHBondContact O-N 2.66Å; F154-N156 VanDerWaalsContact C-N 3.35Å; F154-N156 PolarHBondContact O-N 2.81Å; N156-M158 PolarHBondContact O-N 2.79Å; N156-N159 PolarHBondContact O-N 3.1Å; N156-E160 PolarHBondContact O-N 3.37Å
157Q79.3Confident71.2Confident112 Ų112115 Ų11552%0.52353%0.526SS..Hα-helixtrans-62.6-40.3173.7-75.5-177.7-10.800112.5L153 F154 E160 A161L153-Q157 WeakPolarHBondContact O-CG 3.29Å; L153-Q157 PolarHBondContact O-N 3.2Å; L153-Q157 VanDerWaalsContact O-N 3.11Å; F154-Q157 PolarHBondContact O-N 2.92Å; Q157-E160 PolarHBondContact O-N 3.39Å; Q157-A161 WeakPolarHBondContact O-CB 3.48Å; Q157-A161 PolarHBondContact O-N 3.41Å
158M71.4Confident69.9Low73 Ų73117.3 Ų117.336%0.3654%0.541SS..Hα-helixtrans-66.5-38.7174.7-69.4-157.2-58.800112.8F154 M155 N156 E160 A161 R162F154-M158 HydrophobicContact CD1-CE 4Å; F154-M158 HydrophobicContact CD1-CG 4.48Å; F154-M158 HydrophobicContact CD1-SD 4.32Å; F154-M158 HydrophobicContact CE1-CE 3.62Å; F154-M158 HydrophobicContact CE1-CG 4.14Å; F154-M158 HydrophobicContact CE1-SD 3.56Å; F154-M158 VanDerWaalsContact CE1-SD 3.56Å; F154-M158 HydrophobicContact CZ-CE 4.43Å; F154-M158 HydrophobicContact CZ-CG 4.18Å; F154-M158 HydrophobicContact CZ-SD 3.76Å; F154-M158 WeakPolarHBondContact O-CG 3.48Å; F154-M158 PolarHBondContact O-N 3.14Å; M155-M158 HydrophobicContact CE-CE 4.23Å; M155-M158 PolarHBondContact O-N 3.08Å; M155-M158 HydrophobicContact SD-CE 3.44Å; M155-M158 WeakPolarHBondContact SD-CE 3.15Å; N156-M158 PolarHBondContact O-N 2.79Å; M158-E160 VanDerWaalsContact C-N 3.35Å; M158-A161 PolarHBondContact O-N 3.36Å; M158-R162 WeakPolarHBondContact O-CB 2.99Å; M158-R162 PolarHBondContact O-N 2.9Å
159N75.9Confident68.3Low81 Ų81119.2 Ų119.243%0.43355%0.551SS.*Hα-helixtrans-71.8-27.7177.9-74.2-23.9000112.9M155 N156 R163M155-N159 WeakPolarHBondContact O-CB 3.13Å; M155-N159 PolarHBondContact O-N 3.37Å; M155-N159 PolarHBondContact O-ND2 2.98Å; N156-N159 PolarHBondContact O-N 3.1Å; N159-R163 WeakPolarHBondContact O-CG 3.44Å; N159-R163 PolarHBondContact O-N 3.07Å; N159-R163 PolarHBondContact O-NE 3.26Å
160E77.4Confident66.1Low90 Ų90117.2 Ų117.242%0.42156%0.555SS.*Hα-helixtrans-70.9-45.3166.3-87.9-164.5-140.300112.6N156 Q157 M158 R163 R164N156-E160 PolarHBondContact O-N 3.37Å; Q157-E160 PolarHBondContact O-N 3.39Å; M158-E160 VanDerWaalsContact C-N 3.35Å; E160-R163 PolarHBondContact O-N 3.18Å; E160-R164 PolarHBondContact O-N 3.1Å; E160-R164 IonicContact OE2-CZ 3Å; E160-R164 IonicContact OE2-NH1 3.21Å; E160-R164 PolarHBondContact OE2-NH1 3.11Å; E160-R164 IonicContact OE2-NH2 3.53Å; E160-R164 PolarHBondContact OE2-NH2 2.84Å
161A68.2Low64Low53 Ų53115.5 Ų115.544%0.43856%0.558SS.*Hα-helixtrans-62.6-43.2178.300000111.8Q157 M158 R163 R164 W165Q157-A161 WeakPolarHBondContact O-CB 3.48Å; Q157-A161 PolarHBondContact O-N 3.41Å; M158-A161 PolarHBondContact O-N 3.36Å; A161-R163 PolarHBondContact O-N 3.13Å; A161-R164 PolarHBondContact O-N 3.35Å; A161-W165 PolarHBondContact O-N 2.79Å
162R65.1Low61.9Low176 Ų176117 Ų11766%0.66458%0.576SS**Hα-helixtrans-60.7-42.6177.7-176.3176.2-69-160.2-0.7112.4M158 W165 Q166M158-R162 WeakPolarHBondContact O-CB 2.99Å; M158-R162 PolarHBondContact O-N 2.9Å; R162-W165 PolarHBondContact O-N 2.91Å; R162-Q166 PolarHBondContact O-N 3.47Å
163R66.8Low59.8Low163 Ų163120.9 Ų120.962%0.61559%0.592SS**Hα-helixtrans-61.2-52.4176.2-78.8-174.7-75.3179.40.2111.3N159 E160 A161 W165 Q166 D167N159-R163 WeakPolarHBondContact O-CG 3.44Å; N159-R163 PolarHBondContact O-N 3.07Å; N159-R163 PolarHBondContact O-NE 3.26Å; E160-R163 PolarHBondContact O-N 3.18Å; A161-R163 PolarHBondContact O-N 3.13Å; R163-W165 PolarHBondContact O-N 3.26Å; R163-W165 VanDerWaalsContact O-N 3.09Å; R163-Q166 PolarHBondContact O-N 3.38Å; R163-Q166 VanDerWaalsContact O-N 3.09Å; R163-D167 PolarHBondContact O-N 2.92Å
164R63.9Low57.8Low153 Ų153124.8 Ų124.858%0.57761%0.607SS**Hα-helixtrans-57.3-26.3176.2-68.9-176.1-179.998.62113.7E160 A161E160-R164 PolarHBondContact O-N 3.1Å; E160-R164 IonicContact OE2-CZ 3Å; E160-R164 IonicContact OE2-NH1 3.21Å; E160-R164 PolarHBondContact OE2-NH1 3.11Å; E160-R164 IonicContact OE2-NH2 3.53Å; E160-R164 PolarHBondContact OE2-NH2 2.84Å; A161-R164 PolarHBondContact O-N 3.35Å
165W49.8Very low55.8Low174 Ų174126.7 Ų126.766%0.65963%0.626SS**Hα-helixtrans-77.4-36.1177.6-121.575.7000113.4A161 R162 R163 D167 H168 Q169A161-W165 PolarHBondContact O-N 2.79Å; R162-W165 PolarHBondContact O-N 2.91Å; R163-W165 PolarHBondContact O-N 3.26Å; R163-W165 VanDerWaalsContact O-N 3.09Å; W165-D167 VanDerWaalsContact C-N 3.33Å; W165-H168 PolarHBondContact O-N 3.42Å; W165-Q169 HydrophobicContact CE3-CG 4.15Å; W165-Q169 HydrophobicContact CZ3-CG 4.23Å
166Q48.6Very low53.8Low134 Ų134128.6 Ų128.663%0.62664%0.638SS**Hα-helixtrans-67.4-36.4177.9-67.1-174.3-96.200111.5R162 R163 H168 Q169R162-Q166 PolarHBondContact O-N 3.47Å; R163-Q166 PolarHBondContact O-N 3.38Å; R163-Q166 VanDerWaalsContact O-N 3.09Å; Q166-H168 PolarHBondContact O-N 3.28Å; Q166-H168 VanDerWaalsContact O-N 3.09Å; Q166-Q169 PolarHBondContact O-N 3.5Å
167D49.1Very low51.6Low119 Ų119130.7 Ų130.764%0.63665%0.649SS**THydrogen-bonded Turntrans-67.9-2.5175-55.7-34000113.8R163 W165R163-D167 PolarHBondContact O-N 2.92Å; W165-D167 VanDerWaalsContact C-N 3.33Å
168H48.2Very low49.6Very low169 Ų169131.8 Ų131.878%0.78266%0.659SS**THydrogen-bonded Turntrans-119.97.7-178.1-81.8-5.8000114.6W165 Q166W165-H168 PolarHBondContact O-N 3.42Å; Q166-H168 PolarHBondContact O-N 3.28Å; Q166-H168 VanDerWaalsContact O-N 3.09Å
169Q40.8Very low47.8Very low146 Ų146135.2 Ų135.268%0.68268%0.678SS**SBendtrans-112.612.7176.8-63.6-159.4-81.500114.6W165 Q166W165-Q169 HydrophobicContact CE3-CG 4.15Å; W165-Q169 HydrophobicContact CZ3-CG 4.23Å; Q166-Q169 PolarHBondContact O-N 3.5Å
170S37Very low45.7Very low100 Ų100138 Ų13870%0.69969%0.69SS**SBendtrans-125.647.9-174.166.70000115
171S32.7Very low43.7Very low105 Ų105139 Ų13973%0.73470%0.698SS**  trans-167.8118.2155-177.80000111.6
172P32.3Very low42.2Very low121 Ų121142.6 Ų142.679%0.78671%0.71SS**  trans-146.265.8153.939.1-20.8000113.7
173E34.4Very low40.9Very low184 Ų184141.5 Ų141.586%0.8671%0.712SS**  trans-166.3111.9162.5-116.1161.2-15000111.6
174E39.3Very low39.5Very low184 Ų184139.6 Ų139.686%0.8671%0.714SS**  176115.4128.2-97.3-169.4167.800112.9
175T36.8Very low38.2Very low126 Ų126138.9 Ų138.977%0.77372%0.722SS**  trans61123134.8-36.90000121.7
176D31.6Very low37.5Very low143 Ų143137.2 Ų137.277%0.76572%0.724SS**  trans-56.5148.9163.4-63.5-76.1000113.5
177N35.3Very low37Very low138 Ų138137.2 Ų137.274%0.73873%0.728SS**  161.4158.9113.5-88.8-73.8000113
178N37.8Very low36.1Very low136 Ų136137.3 Ų137.373%0.72773%0.729SS**  trans75.7115.1171.5-50.7-57.6000115
179L32.4Very low35.3Very low144 Ų144135.3 Ų135.375%0.75472%0.724SS**  66.1134.675-86.391.4000113.9
180M31.7Very low35Very low139 Ų139135 Ų13569%0.68573%0.728SS**  cis-169.1168.7-17.5-141.4161.270.900109.4
181N35.9Very low34.6Very low113 Ų113138.1 Ų138.160%0.60474%0.736SS**  trans72.5126.9153.3-70.5-7.3000121.7
182N37.2Very low34.6Very low128 Ų128140.2 Ų140.268%0.68474%0.738SS**  trans75145.1133.1-58.55.1000119.6
183H38.3Very low34.6Very low153 Ų153140.8 Ų140.871%0.70873%0.734SS**  cis-151.4172.8-13.8-127.8-69.5000109.7
184D35.7Very low34.7Very low122 Ų122138.7 Ų138.765%0.65273%0.729SS**  trans-49.1152.3-177.7-39.1-55.6000116.4
185D38Very low34.4Very low138 Ų138139.7 Ų139.774%0.73873%0.726SS**  -166.713195.5-109.9-30.2000115
186I35.4Very low34.3Very low139 Ų139135.4 Ų135.471%0.71371%0.707SS**  trans19.1122.8137.7-58.3170.9000116.5
187D36.4Very low34.7Very low134 Ų134133.3 Ų133.372%0.71770%0.695SS**  -166.6167.763.6-148.2-3.1000117.3
188N31.8Very low35.1Very low121 Ų121132.1 Ų132.165%0.64769%0.689SS**  trans-15.3123.2167.5-76.4-70.7000120.5
189N30.8Very low35.1Very low128 Ų128132.1 Ų132.168%0.68469%0.685SS**  178.1150.793.8-102.9-67.5000117.2
190N33.5Very low35.4Very low140 Ų140132 Ų13275%0.74967%0.674SS**  trans57.7101.1150.8-66.4-37.7000121.8I192N190-I192 PolarHBondContact O-N 3.28Å
191N30.1Very low36Very low165 Ų165130.2 Ų130.288%0.88267%0.667SS**  trans-26.8111.4141.2-80.1-43.9000114.9
192I31.5Very low36.6Very low149 Ų149130.2 Ų130.276%0.76467%0.667SS**  trans-167.8128.4144.2-94141.8000106.3N190N190-I192 PolarHBondContact O-N 3.28Å
193N32.9Very low37.1Very low133 Ų133128.2 Ų128.271%0.71165%0.654SS**SBendtrans157.1-39150.6-83.8-21.7000112.2Y195 G196N193-Y195 PolarHBondContact O-N 3.2Å; N193-G196 PolarHBondContact O-N 3.08Å
194N36.4Very low37.6Very low140 Ų140124.6 Ų124.675%0.74964%0.639SS**THydrogen-bonded Turntrans-74.129.3-165.9-144.1-1.1000116
195Y32Very low38.5Very low205 Ų205124.3 Ų124.380%0.80463%0.634SS**THydrogen-bonded Turntrans-128.8-10.3171-124.8-95.1000112.4N193N193-Y195 PolarHBondContact O-N 3.2Å
196G36.1Very low39.3Very low35 Ų35124.3 Ų124.336%0.36163%0.627SS.*Hα-helixtrans-76.2-48.7-179.800000113N193 N198 Q199 W200N193-G196 PolarHBondContact O-N 3.08Å; G196-N198 PolarHBondContact O-N 2.76Å; G196-Q199 WeakPolarHBondContact O-CB 3.48Å; G196-Q199 PolarHBondContact O-N 3.13Å; G196-Q199 VanDerWaalsContact O-N 3.09Å; G196-W200 PolarHBondContact O-N 3.42Å
197D39Very low40.1Very low99 Ų99123.2 Ų123.253%0.52961%0.614SS.*Hα-helixtrans-70.5-37.3-168.9-54.7-46.8000112.6Q199 W200 N201D197-Q199 VanDerWaalsContact C-N 3.27Å; D197-Q199 PolarHBondContact O-N 3.42Å; D197-W200 PolarHBondContact O-N 3.39Å; D197-W200 VanDerWaalsContact O-N 3.16Å; D197-N201 PolarHBondContact O-N 3.42Å; D197-N201 PolarHBondContact O-ND2 3.41Å
198N44.2Very low41.2Very low114 Ų114121.9 Ų121.961%0.6160%0.604SS**Hα-helixtrans-62.6-33.5172-69.6-34000112.3G196 L202G196-N198 PolarHBondContact O-N 2.76Å; N198-L202 WeakPolarHBondContact O-CB 3.47Å; N198-L202 PolarHBondContact O-N 2.93Å
199Q38.7Very low42.3Very low135 Ų135120.1 Ų120.163%0.63159%0.594SS**Hα-helixtrans-76.8-32.9174.2-169.8175.5-68.800112.2G196 D197 Q203G196-Q199 WeakPolarHBondContact O-CB 3.48Å; G196-Q199 PolarHBondContact O-N 3.13Å; G196-Q199 VanDerWaalsContact O-N 3.09Å; D197-Q199 VanDerWaalsContact C-N 3.27Å; D197-Q199 PolarHBondContact O-N 3.42Å; Q199-Q203 WeakPolarHBondContact O-CB 3.39Å; Q199-Q203 VanDerWaalsContact O-CG 3.29Å; Q199-Q203 WeakPolarHBondContact O-CG 3.33Å; Q199-Q203 PolarHBondContact O-N 3.11Å
200W37.6Very low43.3Very low143 Ų143121.1 Ų121.154%0.54259%0.592SS.*Hα-helixtrans-65.4-47.1174.2-108.4111.2000112.1G196 D197 L202 Q203 L204G196-W200 PolarHBondContact O-N 3.42Å; D197-W200 PolarHBondContact O-N 3.39Å; D197-W200 VanDerWaalsContact O-N 3.16Å; W200-L202 VanDerWaalsContact C-N 3.34Å; W200-L202 PolarHBondContact O-N 3.21Å; W200-Q203 WeakPolarHBondContact O-CB 3.2Å; W200-Q203 PolarHBondContact O-N 3.5Å; W200-Q203 VanDerWaalsContact O-N 3.12Å; W200-L204 HydrophobicContact CE3-CD1 4.03Å; W200-L204 HydrophobicContact CE3-CG 4.01Å; W200-L204 HydrophobicContact CZ3-CD2 4.4Å; W200-L204 HydrophobicContact CZ3-CG 4.29Å; W200-L204 PolarHBondContact O-N 3.46Å
201N43.7Very low44.1Very low100 Ų100119.7 Ų119.754%0.53558%0.584SS.*Hα-helixtrans-60.9-42.8176.8-70.2-23.7000111.4D197 Q203 L204 Q205D197-N201 PolarHBondContact O-N 3.42Å; D197-N201 PolarHBondContact O-ND2 3.41Å; N201-Q203 VanDerWaalsContact C-N 3.29Å; N201-Q203 PolarHBondContact O-N 3.31Å; N201-L204 PolarHBondContact O-N 2.83Å; N201-Q205 PolarHBondContact O-N 2.88Å
202L48.9Very low45.1Very low114 Ų114119.6 Ų119.660%0.59757%0.571SS**Hα-helixtrans-68.1-26.5176.2-150.377.9000113.4N198 W200 K206N198-L202 WeakPolarHBondContact O-CB 3.47Å; N198-L202 PolarHBondContact O-N 2.93Å; W200-L202 VanDerWaalsContact C-N 3.34Å; W200-L202 PolarHBondContact O-N 3.21Å; L202-K206 WeakPolarHBondContact O-CB 3.41Å; L202-K206 PolarHBondContact O-N 3.19Å
203Q47.4Very low46Very low86 Ų86117.2 Ų117.240%0.40256%0.56SS.*Hα-helixtrans-77.8-37.1172.8-82.8-79.8-26.200112.7Q199 W200 N201 R207Q199-Q203 WeakPolarHBondContact O-CB 3.39Å; Q199-Q203 VanDerWaalsContact O-CG 3.29Å; Q199-Q203 WeakPolarHBondContact O-CG 3.33Å; Q199-Q203 PolarHBondContact O-N 3.11Å; W200-Q203 WeakPolarHBondContact O-CB 3.2Å; W200-Q203 PolarHBondContact O-N 3.5Å; W200-Q203 VanDerWaalsContact O-N 3.12Å; N201-Q203 VanDerWaalsContact C-N 3.29Å; N201-Q203 PolarHBondContact O-N 3.31Å; Q203-R207 VanDerWaalsContact O-CG 3.3Å; Q203-R207 WeakPolarHBondContact O-CG 3.3Å; Q203-R207 PolarHBondContact O-N 2.88Å
204L49.3Very low47Very low76 Ų76115.7 Ų115.740%0.39856%0.555SS.*Hα-helixtrans-64.5-50.7174.5-79.8161.6000110.4W200 N201 K206 R207 E208W200-L204 HydrophobicContact CE3-CD1 4.03Å; W200-L204 HydrophobicContact CE3-CG 4.01Å; W200-L204 HydrophobicContact CZ3-CD2 4.4Å; W200-L204 HydrophobicContact CZ3-CG 4.29Å; W200-L204 PolarHBondContact O-N 3.46Å; N201-L204 PolarHBondContact O-N 2.83Å; L204-K206 VanDerWaalsContact C-N 3.33Å; L204-K206 PolarHBondContact O-N 3Å; L204-R207 CarbonylContact O-C 3.56Å; L204-R207 WeakPolarHBondContact O-CA 3.4Å; L204-R207 WeakPolarHBondContact O-CB 3.47Å; L204-R207 PolarHBondContact O-N 3.25Å; L204-E208 PolarHBondContact O-N 2.78Å
205Q54.4Low47.8Very low117 Ų117112.5 Ų112.555%0.54754%0.54SS..Hα-helixtrans-60.8-41179.5-161.5163.97.700112N201 R207 E208 D209N201-Q205 PolarHBondContact O-N 2.88Å; Q205-R207 PolarHBondContact O-N 2.71Å; Q205-E208 PolarHBondContact O-N 3.3Å; Q205-D209 WeakPolarHBondContact O-CB 3.46Å; Q205-D209 PolarHBondContact O-N 2.81Å
206K54.8Low48.7Very low138 Ų138109.3 Ų109.360%0.653%0.531SS*.Hα-helixtrans-65.1-13.9171.4-95.1-178.7174.1172.20115.5L202 L204L202-K206 WeakPolarHBondContact O-CB 3.41Å; L202-K206 PolarHBondContact O-N 3.19Å; L204-K206 VanDerWaalsContact C-N 3.33Å; L204-K206 PolarHBondContact O-N 3Å
207R53.6Low49.3Very low116 Ų116112.7 Ų112.744%0.43854%0.54SS..Hα-helixtrans-94.7-37.7172.2-70.9173.8-160.2-166.37.3111.5Q203 L204 Q205 K210 L211Q203-R207 VanDerWaalsContact O-CG 3.3Å; Q203-R207 WeakPolarHBondContact O-CG 3.3Å; Q203-R207 PolarHBondContact O-N 2.88Å; L204-R207 CarbonylContact O-C 3.56Å; L204-R207 WeakPolarHBondContact O-CA 3.4Å; L204-R207 WeakPolarHBondContact O-CB 3.47Å; L204-R207 PolarHBondContact O-N 3.25Å; Q205-R207 PolarHBondContact O-N 2.71Å; R207-K210 CarbonylContact O-C 3.53Å; R207-K210 WeakPolarHBondContact O-CB 3.49Å; R207-K210 PolarHBondContact O-N 3.3Å; R207-K210 VanDerWaalsContact O-N 3.15Å; R207-L211 PolarHBondContact O-N 3.28Å
208E58.2Low49.7Very low106 Ų106113.8 Ų113.850%0.49554%0.541SS..Hα-helixtrans-61.1-43.7170.8-69-174.9173.800111.3L204 Q205 K210 L211 R212L204-E208 PolarHBondContact O-N 2.78Å; Q205-E208 PolarHBondContact O-N 3.3Å; E208-K210 PolarHBondContact O-N 3.22Å; E208-L211 PolarHBondContact O-N 2.88Å; E208-R212 WeakPolarHBondContact O-CB 3.45Å; E208-R212 WeakPolarHBondContact O-CG 3.31Å; E208-R212 PolarHBondContact O-N 3.45Å
209D56.4Low49.7Very low84 Ų84112.1 Ų112.145%0.44953%0.533SS..Hα-helixtrans-60.8-34.1173.5-70.9-26000112.1Q205 L213Q205-D209 WeakPolarHBondContact O-CB 3.46Å; Q205-D209 PolarHBondContact O-N 2.81Å; D209-L213 VanDerWaalsContact O-CB 3.25Å; D209-L213 WeakPolarHBondContact O-CB 3.35Å; D209-L213 PolarHBondContact O-N 3.33Å
210K51.7Low49.8Very low148 Ų148107.5 Ų107.564%0.64352%0.517SS*.Hα-helixtrans-73.9-38.7173.9-83.3-171.9172.1-167.70113R207 E208 L213 V214R207-K210 CarbonylContact O-C 3.53Å; R207-K210 WeakPolarHBondContact O-CB 3.49Å; R207-K210 PolarHBondContact O-N 3.3Å; R207-K210 VanDerWaalsContact O-N 3.15Å; E208-K210 PolarHBondContact O-N 3.22Å; K210-L213 PolarHBondContact O-N 2.8Å; K210-V214 WeakPolarHBondContact O-CG2 3.35Å; K210-V214 PolarHBondContact O-N 2.8Å
211L49.6Very low50Low110 Ų110108 Ų10858%0.57653%0.525SS*.Hα-helixtrans-65-46.7175.3-127.174.8000109.9R207 E208 L213 V214 T215R207-L211 PolarHBondContact O-N 3.28Å; E208-L211 PolarHBondContact O-N 2.88Å; L211-L213 VanDerWaalsContact C-N 3.3Å; L211-L213 PolarHBondContact O-N 2.86Å; L211-V214 PolarHBondContact O-N 3.47Å; L211-V214 VanDerWaalsContact O-N 3.1Å; L211-T215 PolarHBondContact O-N 2.99Å; L211-T215 PolarHBondContact O-OG1 3.24Å
212R51.6Low49.8Very low164 Ų164109 Ų10962%0.61953%0.527SS*.Hα-helixtrans-58.9-37.5172.2-74.5176.8175.2170.31.1112.4E208 T215 F216E208-R212 WeakPolarHBondContact O-CB 3.45Å; E208-R212 WeakPolarHBondContact O-CG 3.31Å; E208-R212 PolarHBondContact O-N 3.45Å; R212-T215 PolarHBondContact O-OG1 3.09Å; R212-F216 WeakPolarHBondContact O-CA 3.48Å; R212-F216 WeakPolarHBondContact O-CB 3.49Å; R212-F216 PolarHBondContact O-N 2.9Å
213L49.4Very low49.3Very low99 Ų99109.6 Ų109.652%0.51853%0.53SS..Hα-helixtrans-69.4-35.1174.8-173.365.2000112.1D209 K210 L211 I217D209-L213 VanDerWaalsContact O-CB 3.25Å; D209-L213 WeakPolarHBondContact O-CB 3.35Å; D209-L213 PolarHBondContact O-N 3.33Å; K210-L213 PolarHBondContact O-N 2.8Å; L211-L213 VanDerWaalsContact C-N 3.3Å; L211-L213 PolarHBondContact O-N 2.86Å; L213-I217 HydrophobicContact CD1-CD1 4.19Å; L213-I217 HydrophobicContact CD1-CG1 4.47Å; L213-I217 HydrophobicContact CG-CD1 3.96Å; L213-I217 VanDerWaalsContact O-CB 3.31Å; L213-I217 WeakPolarHBondContact O-CB 3.46Å; L213-I217 WeakPolarHBondContact O-CD1 3.46Å; L213-I217 WeakPolarHBondContact O-CG1 3.37Å; L213-I217 PolarHBondContact O-N 3.36Å
214V53.9Low48.7Very low101 Ų101110 Ų11061%0.61254%0.542SS*.Hα-helixtrans-71.9-44.3176.3170.50000111.5K210 L211 I217 H218K210-V214 WeakPolarHBondContact O-CG2 3.35Å; K210-V214 PolarHBondContact O-N 2.8Å; L211-V214 PolarHBondContact O-N 3.47Å; L211-V214 VanDerWaalsContact O-N 3.1Å; V214-I217 PolarHBondContact O-N 2.74Å; V214-H218 PolarHBondContact O-N 2.93Å
215T53Low48Very low72 Ų72112 Ų11244%0.44256%0.557SS.*Hα-helixtrans-65.1-45.6172.3580000110.5L211 R212 I217 H218 D219L211-T215 PolarHBondContact O-N 2.99Å; L211-T215 PolarHBondContact O-OG1 3.24Å; R212-T215 PolarHBondContact O-OG1 3.09Å; T215-I217 PolarHBondContact O-N 2.85Å; T215-H218 CarbonylContact O-C 3.59Å; T215-H218 WeakPolarHBondContact O-CA 3.07Å; T215-H218 WeakPolarHBondContact O-CB 3.46Å; T215-H218 PolarHBondContact O-N 3.33Å; T215-D219 WeakPolarHBondContact O-CB 3.46Å; T215-D219 PolarHBondContact O-N 3.36Å
216F50.7Low46.9Very low139 Ų139113.3 Ų113.361%0.6157%0.568SS**Hα-helixtrans-61.6-28.8176.4-172.1-93000113.2R212 A220R212-F216 WeakPolarHBondContact O-CA 3.48Å; R212-F216 WeakPolarHBondContact O-CB 3.49Å; R212-F216 PolarHBondContact O-N 2.9Å; F216-A220 HydrophobicContact CE1-CB 4.43Å; F216-A220 WeakPolarHBondContact O-CA 3.22Å; F216-A220 WeakPolarHBondContact O-CB 3.41Å; F216-A220 PolarHBondContact O-N 2.86Å
217I50.2Low45.9Very low105 Ų105112.8 Ų112.854%0.53858%0.577SS.*Hα-helixtrans-74.7-35.5171.6-74.7167.5000111.5L213 V214 T215 H221L213-I217 HydrophobicContact CD1-CD1 4.19Å; L213-I217 HydrophobicContact CD1-CG1 4.47Å; L213-I217 HydrophobicContact CG-CD1 3.96Å; L213-I217 VanDerWaalsContact O-CB 3.31Å; L213-I217 WeakPolarHBondContact O-CB 3.46Å; L213-I217 WeakPolarHBondContact O-CD1 3.46Å; L213-I217 WeakPolarHBondContact O-CG1 3.37Å; L213-I217 PolarHBondContact O-N 3.36Å; V214-I217 PolarHBondContact O-N 2.74Å; T215-I217 PolarHBondContact O-N 2.85Å; I217-H221 VanDerWaalsContact O-CB 3.28Å; I217-H221 WeakPolarHBondContact O-CB 3.29Å; I217-H221 PolarHBondContact O-N 2.79Å
218H46.2Very low44.8Very low123 Ų123118.5 Ų118.557%0.56960%0.6SS**Hα-helixtrans-65-56.7171.5-163.5-71000110.6V214 T215 A220 H221 E222V214-H218 PolarHBondContact O-N 2.93Å; T215-H218 CarbonylContact O-C 3.59Å; T215-H218 WeakPolarHBondContact O-CA 3.07Å; T215-H218 WeakPolarHBondContact O-CB 3.46Å; T215-H218 PolarHBondContact O-N 3.33Å; H218-A220 VanDerWaalsContact C-N 3.31Å; H218-A220 PolarHBondContact O-N 2.83Å; H218-H221 CarbonylContact O-C 3.57Å; H218-H221 WeakPolarHBondContact O-CA 2.99Å; H218-H221 WeakPolarHBondContact O-CB 3.44Å; H218-H221 PolarHBondContact O-N 3.12Å; H218-E222 IonicContact CE1-OE2 3.94Å; H218-E222 PolarHBondContact CE1-OE2 3.44Å; H218-E222 VanDerWaalsContact CE1-OE2 3.28Å; H218-E222 IonicContact ND1-OE2 3.51Å; H218-E222 PolarHBondContact ND1-OE2 2.89Å; H218-E222 PolarHBondContact O-N 3.34Å; H218-E222 VanDerWaalsContact O-N 3.09Å
219D44.2Very low43.5Very low79 Ų79118.5 Ų118.542%0.42261%0.611SS.*Hα-helixtrans-59.1-38.3179.6-52.7-21.7000111.3T215 E222 L223T215-D219 WeakPolarHBondContact O-CB 3.46Å; T215-D219 PolarHBondContact O-N 3.36Å; D219-E222 CarbonylContact O-C 3.55Å; D219-E222 PolarHBondContact O-N 2.96Å; D219-L223 WeakPolarHBondContact O-CB 3.45Å; D219-L223 WeakPolarHBondContact O-CD1 3.34Å; D219-L223 PolarHBondContact O-N 3.06Å
220A41.6Very low42.4Very low37 Ų37121.4 Ų121.431%0.30663%0.627SS.*Hα-helixtrans-77.5-19.6174.500000113.8F216 H218 E222 S224F216-A220 HydrophobicContact CE1-CB 4.43Å; F216-A220 WeakPolarHBondContact O-CA 3.22Å; F216-A220 WeakPolarHBondContact O-CB 3.41Å; F216-A220 PolarHBondContact O-N 2.86Å; H218-A220 VanDerWaalsContact C-N 3.31Å; H218-A220 PolarHBondContact O-N 2.83Å; A220-E222 VanDerWaalsContact C-N 3.26Å; A220-S224 WeakPolarHBondContact O-CB 3.38Å; A220-S224 PolarHBondContact O-N 3.38Å; A220-S224 PolarHBondContact O-OG 2.84Å
221H40.6Very low41.4Very low155 Ų155119.2 Ų119.272%0.71863%0.63SS**Hα-helixtrans-77-16.2167.5-160.5-65.7000111.7I217 H218I217-H221 VanDerWaalsContact O-CB 3.28Å; I217-H221 WeakPolarHBondContact O-CB 3.29Å; I217-H221 PolarHBondContact O-N 2.79Å; H218-H221 CarbonylContact O-C 3.57Å; H218-H221 WeakPolarHBondContact O-CA 2.99Å; H218-H221 WeakPolarHBondContact O-CB 3.44Å; H218-H221 PolarHBondContact O-N 3.12Å
222E40.9Very low40.5Very low120 Ų120119.8 Ų119.856%0.56164%0.638SS**Hα-helixtrans-93.6-32.4167.7-67.9-179.994.800112.6H218 D219 A220 T225H218-E222 IonicContact CE1-OE2 3.94Å; H218-E222 PolarHBondContact CE1-OE2 3.44Å; H218-E222 VanDerWaalsContact CE1-OE2 3.28Å; H218-E222 IonicContact ND1-OE2 3.51Å; H218-E222 PolarHBondContact ND1-OE2 2.89Å; H218-E222 PolarHBondContact O-N 3.34Å; H218-E222 VanDerWaalsContact O-N 3.09Å; D219-E222 CarbonylContact O-C 3.55Å; D219-E222 PolarHBondContact O-N 2.96Å; A220-E222 VanDerWaalsContact C-N 3.26Å; E222-T225 PolarHBondContact O-OG1 3.03Å
223L36.6Very low39.3Very low127 Ų127116.9 Ų116.967%0.66564%0.643SS**Hα-helixtrans-86.4-15.2179-97.170.1000115.2D219 T225 D226D219-L223 WeakPolarHBondContact O-CB 3.45Å; D219-L223 WeakPolarHBondContact O-CD1 3.34Å; D219-L223 PolarHBondContact O-N 3.06Å; L223-T225 PolarHBondContact O-N 3.17Å; L223-D226 PolarHBondContact O-N 2.86Å
224S36.1Very low38.4Very low94 Ų94119.2 Ų119.266%0.65766%0.661SS**THydrogen-bonded Turntrans-71.7-3.4176.148.10000113.8A220A220-S224 WeakPolarHBondContact O-CB 3.38Å; A220-S224 PolarHBondContact O-N 3.38Å; A220-S224 PolarHBondContact O-OG 2.84Å
225T35.1Very low37.1Very low117 Ų117122.1 Ų122.172%0.71867%0.668SS**THydrogen-bonded Turntrans-98.113.6172.1350000115.3E222 L223E222-T225 PolarHBondContact O-OG1 3.03Å; L223-T225 PolarHBondContact O-N 3.17Å
226D30.1Very low36.1Very low145 Ų145124.6 Ų124.678%0.77568%0.683SS**SBendtrans-14429.9-177-126.1-14.5000118.1L223L223-D226 PolarHBondContact O-N 2.86Å
227V33.2Very low35.2Very low128 Ų128123.5 Ų123.578%0.77668%0.683SS**  trans-13984.2169.3-168.70000113.6
228Y30.6Very low34.4Very low236 Ų236123.3 Ų123.393%0.92569%0.691SS**  trans-163.264.7147.1-129.8-80.4000112.7
229S32.5Very low34Very low105 Ų105122.4 Ų122.473%0.73470%0.695SS**  trans-99.1132.2174.345.30000112
230D31.8Very low33.6Very low145 Ų145123.3 Ų123.378%0.77570%0.699SS**  trans58.2135.8175.7-75.7-55.4000118.4
231S31.6Very low33.3Very low103 Ų103128.8 Ų128.872%0.7272%0.72SS**SBendcis-129.1163.834.355.30000115.6
232T30.7Very low33.2Very low121 Ų121129 Ų12974%0.74272%0.719SS**SBendtrans84.743.5169.667.70000119.2
233S26.5Very low32.9Very low104 Ų104131.8 Ų131.873%0.72773%0.726SS**  40.999.8124.465.90000120.3
234V29.7Very low33Very low147 Ų147131.9 Ų131.989%0.89173%0.726SS**  trans-141.1137.8145.6-177.70000109.6
235H27.8Very low33.1Very low162 Ų162132.8 Ų132.875%0.7572%0.72SS**  trans-68.9134.1-176-128.7-88.9000113.7D237H235-D237 IonicContact CE1-OD1 2.62Å; H235-D237 IonicContact ND1-OD1 3.34Å
236V32.1Very low33.4Very low124 Ų124131.9 Ų131.975%0.75271%0.711SS**  trans-146.9130.1153.2-1770000108.8
237D32.1Very low33.8Very low116 Ų116133 Ų13362%0.6271%0.705SS**  trans-73148.8-171.1-56.9-55.8000115.3H235H235-D237 IonicContact CE1-OD1 2.62Å; H235-D237 IonicContact ND1-OD1 3.34Å
238S32.2Very low34.2Very low101 Ų101131.6 Ų131.671%0.70670%0.696SS**  trans-95.3121.5177.9-176.90000112.6
239T37.4Very low34.5Very low105 Ų105128.2 Ų128.264%0.64468%0.682SS**  trans-140-21.3165.445.80000113.8
240D36Very low34.7Very low98 Ų98130 Ų13052%0.52468%0.682SS.*SBendtrans-87.1-10.6-166.2-64.78.5000113.4K751D240-K751 IonicContact OD2-NZ 2.94Å; D240-K751 PolarHBondContact OD2-NZ 2.82Å
241M35.8Very low35.2Very low151 Ų151128.9 Ų128.974%0.74468%0.675SS**THydrogen-bonded Turntrans-73.2-31.6-178.3-90.2-73.1-77.200114.7Y243M241-Y243 PolarHBondContact O-N 3.33Å
242K38.2Very low35.4Very low160 Ų160130.7 Ų130.770%0.69668%0.676SS**Hα-helixtrans-75.6-8.8-171.6-166.2163.8-177.7174.40114.3
243Y36Very low35.7Very low178 Ų178132.5 Ų132.570%0.69868%0.677SS**Hα-helixtrans-89.1-18.8-174.2-169.1-107.5000114.5M241M241-Y243 PolarHBondContact O-N 3.33Å
244L37.2Very low36.2Very low129 Ų129136.1 Ų136.168%0.67568%0.681SS**Hα-helixtrans-87.1-33.1178.6-83.7159.5000112.5R247 T248L244-R247 PolarHBondContact O-N 2.98Å; L244-T248 PolarHBondContact O-OG1 3.46Å
245E39.4Very low36.5Very low113 Ų113136.8 Ų136.853%0.52868%0.68SS.*Hα-helixtrans-74-39.9-176.5-148.9-170.9150.100113.1R247 R249E245-R247 PolarHBondContact O-N 3.33Å; E245-R249 IonicContact OE1-CZ 2.85Å; E245-R249 IonicContact OE1-NE 2.67Å; E245-R249 IonicContact OE1-NH2 3.58Å; E245-R249 PolarHBondContact OE1-NH2 3.46Å
246D40.5Very low36.7Very low99 Ų99136 Ų13653%0.52968%0.682SS.*Hα-helixtrans-62.7-26.5175-81.5-15.8000112.2
247R38.2Very low36.6Very low169 Ų169137.9 Ų137.964%0.63869%0.687SS**Hα-helixtrans-84-28.6-174-159.5171.6-175.2-174.5-0.2113.6L244 E245L244-R247 PolarHBondContact O-N 2.98Å; E245-R247 PolarHBondContact O-N 3.33Å
248T42.2Very low36.6Very low97 Ų97140.5 Ų140.560%0.59570%0.7SS**Hα-helixtrans-77.3-30.6176.8-48.80000112L244 L250L244-T248 PolarHBondContact O-OG1 3.46Å; T248-L250 VanDerWaalsContact C-N 3.28Å; T248-L250 PolarHBondContact O-N 3.08Å
249R36.1Very low36.4Very low166 Ų166141 Ų14163%0.62670%0.703SS**THydrogen-bonded Turntrans-73.4-16.3178.5-63.4-178.6-172.5-141.55.3114E245E245-R249 IonicContact OE1-CZ 2.85Å; E245-R249 IonicContact OE1-NE 2.67Å; E245-R249 IonicContact OE1-NH2 3.58Å; E245-R249 PolarHBondContact OE1-NH2 3.46Å
250L38.4Very low36.1Very low142 Ų142141 Ų14174%0.74371%0.707SS**THydrogen-bonded Turntrans-89.30-177.4-101.4164.7000115T248T248-L250 VanDerWaalsContact C-N 3.28Å; T248-L250 PolarHBondContact O-N 3.08Å
251I40.7Very low35.8Very low122 Ų122143.4 Ų143.463%0.62672%0.72SS**THydrogen-bonded Turntrans-106.6-32.6-178.3-65.4176.1000111.7Q253I251-Q253 VanDerWaalsContact C-N 3.29Å; I251-Q253 PolarHBondContact O-N 3.17Å
252N37.3Very low35.8Very low140 Ų140144 Ų14475%0.74972%0.721SS**SBendtrans-91.941.5-178.5-63.62.9000112.6
253Q37Very low35.6Very low160 Ų160145.3 Ų145.375%0.74873%0.73SS**SBendtrans-149.231-175.2-138.3174.823.400114I251I251-Q253 VanDerWaalsContact C-N 3.29Å; I251-Q253 PolarHBondContact O-N 3.17Å
254H35.8Very low35.4Very low179 Ų179146.3 Ų146.383%0.82974%0.741SS**SBendtrans-138.3-4.9-177-120.645000117.8
255D35.8Very low35.2Very low161 Ų161144 Ų14486%0.86175%0.748SS**SBendtrans-104.9-14.5175.4-70-61.4000113.8
256D32.8Very low34.9Very low146 Ų146146.1 Ų146.178%0.78176%0.763SS**SBendtrans-97.490.6174.4-71.1-51.3000111.2
257N30.7Very low34.7Very low164 Ų164146.3 Ų146.388%0.87777%0.77SS**  trans170.552.4149.7-91-46.7000114
258I31.5Very low34.3Very low171 Ų171144.1 Ų144.188%0.87778%0.78SS**  trans-132.172.8166.5-48.9-178.9000111.4
259S27.8Very low33.9Very low112 Ų112143.1 Ų143.178%0.78379%0.789SS**  trans-171.1129.2143.9530000111.7
260S30.4Very low33.8Very low103 Ų103143.3 Ų143.372%0.7280%0.797SS**  trans172.4149.7141.638.30000112.2
261N31.2Very low33.4Very low150 Ų150142.3 Ų142.380%0.80279%0.792SS**  trans84.4150.5166.7-47.7-38.1000118.2
262E34.6Very low33Very low163 Ų163141.8 Ų141.876%0.76279%0.791SS**  trans68.1118.2-165.1-61.5179.2-163.100114.8
263E34.5Very low32.8Very low187 Ų187142.7 Ų142.787%0.87479%0.788SS**  cis-155.5-173.8-16-140.1171.8-151.200111.1
264E32.4Very low32.5Very low199 Ų199142.4 Ų142.493%0.9379%0.791SS**  trans-70.9148.1-163.8-57.7-174122.700117
265G32.1Very low32.2Very low80 Ų80137.8 Ų137.883%0.82578%0.779SS**  trans-177.6103.3169.600000113.9
266N32.7Very low31.9Very low159 Ų159136.5 Ų136.585%0.8577%0.772SS**  trans-108.7180-165.1-138.3-2.5000112.9
267P36.9Very low31.8Very low103 Ų103135.6 Ų135.667%0.66977%0.767SS**  -127.9-173.5-106.143.9-28.8000115.1
268S30Very low31.7Very low123 Ų123137 Ų13786%0.8677%0.765SS**  149.8149.7129.859.60000116.3
269G32.7Very low31.7Very low75 Ų75134.6 Ų134.677%0.77376%0.763SS**  trans80.8147.1165.300000117.6
270E33.8Very low31.6Very low171 Ų171136.5 Ų136.580%0.79977%0.765SS**  cis-156.6137.5-18.7-129.6-155.3120.100112.4
271N30.7Very low31.7Very low120 Ų120140.8 Ų140.864%0.64277%0.774SS**  trans34.5135139.7-65.1-25.1000124.9
272D32.2Very low31.4Very low111 Ų111140.9 Ų140.959%0.59477%0.774SS**  94.4114.5123.5-85-21.4000125.6
273K32.5Very low31.2Very low159 Ų159140.9 Ų140.969%0.69177%0.774SS**  92.7142.7116.6-81.6166.9-170.5145.40124.7
274L32Very low30.8Very low154 Ų154139.2 Ų139.281%0.80677%0.766SS**  trans61.6154.6151.7-89.857.7000118.9
275S28.6Very low30.7Very low82 Ų82138.9 Ų138.957%0.57376%0.762SS**  170.5166.7-58.462.90000109.3
276N30.1Very low30.5Very low134 Ų134140.2 Ų140.272%0.71776%0.759SS**  trans84.2135.1150.4-73.1-16.9000122.9
277N31.3Very low30.5Very low128 Ų128138.3 Ų138.368%0.68476%0.757SS**  trans71124.8152.8-63.1-28.5000118.4
278K28.8Very low30Very low193 Ų193139.2 Ų139.284%0.83976%0.762SS**  cis103.9110.835.4-93.5-172173.4174.80111.3
279S30.2Very low30Very low120 Ų120140.8 Ų140.884%0.83976%0.759SS**  -161.3155.6129.361.30000110.1
280N25.1Very low29.6Very low153 Ų153144.4 Ų144.482%0.81876%0.761SS**  trans-101.7158.2-179.7-61.1-28.1000110.7
281Q32.9Very low29.4Very low193 Ų193142 Ų14290%0.90276%0.757SS**  trans-157.9150.9131.4-110.7164.426.100111.9
282N24.9Very low29.3Very low151 Ų151142.6 Ų142.681%0.80777%0.766SS**  trans-87168.5175.4-62.1-40.5000108.9
283E30.6Very low29.1Very low164 Ų164146.6 Ų146.677%0.76678%0.778SS**  -162.3158.553-74.3-167.4106.500115.4
284Q26.7Very low29.2Very low152 Ų152143.7 Ų143.771%0.7178%0.784SS**  trans13.3133147.8-42.2-179.713.900119.3
285K30.3Very low29.3Very low192 Ų192143.4 Ų143.484%0.83578%0.783SS**  -164.9160.971.5-111.8169.6-175.4163.10115.6
286S26.6Very low29.5Very low108 Ų108145.2 Ų145.276%0.75579%0.793SS**  trans-41.1158.1171.8-113.40000116.6
287S34.1Very low29.7Very low118 Ų118145.6 Ų145.683%0.82580%0.8SS**  -151.1139.957.144.30000116.8
288T26.6Very low29.8Very low123 Ų123145.1 Ų145.176%0.75580%0.802SS**  trans-89.5152.2165.537.50000111.4
289L29.2Very low29.9Very low156 Ų156141.7 Ų141.782%0.81780%0.799SS**  trans-128.792.1175.7-142.5175.5000109.8V291L289-V291 HydrophobicContact CD2-CG2 3.83Å
290N23.6Very low29.9Very low151 Ų151143.6 Ų143.681%0.80780%0.799SS**  trans-82.9127.7173.6-76.4-9.8000110
291V31.3Very low30.1Very low119 Ų119142.8 Ų142.872%0.72180%0.8SS**  trans-129.9112.7162.2-176.80000110L289L289-V291 HydrophobicContact CD2-CG2 3.83Å
292T27.9Very low30Very low133 Ų133143 Ų14382%0.81680%0.798SS**  trans-45.6131-179.5-41.30000115.3
293F27.9Very low30.1Very low196 Ų196144 Ų14486%0.8680%0.798SS**PPolyproline II helixtrans-81.6142.6156.1-87.3-95.1000110.1
294A35.2Very low30Very low98 Ų98142.1 Ų142.181%0.8179%0.793SS**PPolyproline II helixtrans-84.4146.9-177.700000112.8
295N32.9Very low30.3Very low148 Ų148142.4 Ų142.479%0.79180%0.799SS**PPolyproline II helixtrans-67.6148.7-177-66.2-18.6000113.3
296P32.9Very low30.2Very low120 Ų120139.9 Ų139.978%0.77980%0.795SS**PPolyproline II helixtrans-68.6150.5162.431.6-34.6000111
297V34.9Very low30.4Very low141 Ų141141.4 Ų141.486%0.85580%0.799SS**  trans-96112.8-178.1177.30000111
298T33Very low30.2Very low119 Ų119142.1 Ų142.173%0.7379%0.794SS**  trans-77.9135.9170.7-15.80000110.8L300T298-L300 PolarHBondContact O-N 3.26Å
299P30.5Very low30.4Very low120 Ų120143.9 Ų143.978%0.77980%0.799SS**  trans-74.5123.5176.929.1-34000111.6
300L30.7Very low30.5Very low160 Ų160144 Ų14484%0.83880%0.8SS**  trans-94.4102.4175.8-91.4168.1000111.9T298T298-L300 PolarHBondContact O-N 3.26Å
301T28.9Very low30.9Very low136 Ų136140.6 Ų140.683%0.83480%0.801SS**  trans-70.3127.915346.40000109.4
302K31Very low30.8Very low198 Ų198142.1 Ų142.186%0.86181%0.805SS**  trans-116.4136.7162.6-87.6-163.4170.5-166.30110
303Q27.8Very low31Very low172 Ų172142.6 Ų142.680%0.80480%0.801SS**  trans-141.2139.3177.1175.4174.23.900107.8
304N27.5Very low31.2Very low124 Ų124141.1 Ų141.166%0.66380%0.796SS**  trans64.5145.2-177.6-580.1000113.1
305D32.6Very low31Very low158 Ų158142.8 Ų142.885%0.84579%0.792SS**  -130.3175.951.7-78-45.5000116
306N28.7Very low30.9Very low139 Ų139142.4 Ų142.474%0.74379%0.788SS**  trans-82.4162-170.6-52.7-53000114.1
307V32.1Very low30.9Very low140 Ų140143.3 Ų143.385%0.84879%0.785SS**  -173.8143.5111.91480000109.1
308D28.3Very low30.7Very low134 Ų134142.7 Ų142.772%0.71778%0.777SS**  trans-75.1156.1-170.4-49.5-96.8000115.2
309N32.1Very low30.6Very low160 Ų160142.4 Ų142.486%0.85677%0.771SS**  -156.4157.6120.1-116.8-61.4000114.5
310N29.9Very low30.5Very low157 Ų157142.6 Ų142.684%0.8476%0.764SS**  trans-82.5151.2-173.3-70.7-76.9000113.1
311G32.3Very low30.5Very low80 Ų80144.2 Ų144.283%0.82577%0.765SS**  trans-171.139.9-179.100000115.5
312N29.3Very low30.5Very low152 Ų152141.6 Ų141.681%0.81375%0.752SS**  trans-69.4138.8-178.7-171.417.7000112.3
313I31.7Very low30.5Very low142 Ų142140 Ų14073%0.72875%0.747SS**  trans156.3145.6143.5-84.7159.7000115.2
314H33.1Very low30.7Very low165 Ų165137.7 Ų137.776%0.76474%0.74SS**  trans31.5116.9165.2-82.2-73.4000120.5
315N31.4Very low30.6Very low133 Ų133138.3 Ų138.371%0.71174%0.743SS**  cis78.8117.430.3-154.527.5000116.4
316I30.6Very low30.6Very low141 Ų141138 Ų13872%0.72374%0.74SS**  trans75.7144.2164.6-18.9177.9000120.3
317I31.9Very low30.5Very low138 Ų138139.3 Ų139.371%0.70874%0.742SS**  trans103.4101.7152.9-60.7-175.8000118.4
318N32Very low30.3Very low128 Ų128137.3 Ų137.368%0.68473%0.734SS**  trans61.5161.3140-60.935.4000119.7
319D30.6Very low30.1Very low114 Ų114139.7 Ų139.761%0.6174%0.741SS**  cis-159.9155.4-25-110.8-31.2000110.9
320I28.7Very low30Very low124 Ų124141.8 Ų141.864%0.63675%0.746SS**  trans44.5131.9137.7-60.2165.4000120.7
321K30.3Very low29.8Very low194 Ų194137.5 Ų137.584%0.84374%0.739SS**  trans71.9156.6161.2-77.3164.9-166.51730116.8
322S27.7Very low29.6Very low81 Ų81142.4 Ų142.457%0.56674%0.74SS**  cis-178.4165.1-20.6520000109.8
323H32.2Very low29.5Very low163 Ų163138.4 Ų138.476%0.75574%0.735SS**  trans66.3158.4168.3-63.5-64.6000114.5
324N31.1Very low29.2Very low124 Ų124142.3 Ų142.366%0.66374%0.74SS**  cis-147.8136.9-16.6-108.5-8.7000106.2
325N26.7Very low29.1Very low137 Ų137142.9 Ų142.973%0.73374%0.741SS**  75.1142.786.2-125.937000114.3
326I31.6Very low29.1Very low153 Ų153144.5 Ų144.579%0.78575%0.747SS**  trans77149171.4-55151000115.1
327E26.3Very low29.2Very low166 Ų166143.6 Ų143.678%0.77674%0.743SS**  cis-179.3173.3-37.5-156.7150.4-142.400106.5
328S27.7Very low29.4Very low98 Ų98144.4 Ų144.469%0.68575%0.747SS**  trans65.1117.5167.9-55.80000116.8
329E25.3Very low29.4Very low184 Ų184144.6 Ų144.686%0.8675%0.748SS**  82.6153.170.5-77-156.9135.900114.4
330E29.8Very low29.7Very low204 Ų204144.7 Ų144.795%0.95376%0.755SS**  trans63.2158.5-172.3-55.6-166.7151.500114.5
331G26.3Very low29.7Very low67 Ų67143.8 Ų143.869%0.69176%0.759SS**  cis162.3150.8-5.600000110.5
332E27.9Very low29.8Very low183 Ų183141.7 Ų141.786%0.85576%0.758SS**  trans57172.3-178.2-61.1-150.8112.400116.9
333G26.1Very low30.1Very low68 Ų68144.9 Ų144.970%0.70176%0.763SS**  trans-159.3158.3168.500000109.5
334R26.8Very low30Very low224 Ų224143.1 Ų143.185%0.84576%0.759SS**  trans-145.2154.2176.3-102.1175.2-146.7-155.86.5113.8
335K29.8Very low30Very low177 Ų177143.3 Ų143.377%0.7776%0.76SS**  trans-60.9151.8167.4-61.5174.3174.9179.90111I337K335-I337 HydrophobicContact CB-CG1 4.23Å; K335-I337 WeakPolarHBondContact O-CD1 3.48Å
336I32.6Very low30.3Very low166 Ų166142.8 Ų142.885%0.85176%0.758SS**  trans-130.4137.9143.9-59-178.7000106
337I31.3Very low30.4Very low123 Ų123142.5 Ų142.563%0.63175%0.753SS**  cis143.5148.2-18.8-83.5169.8000107.7K335K335-I337 HydrophobicContact CB-CG1 4.23Å; K335-I337 WeakPolarHBondContact O-CD1 3.48Å
338I35.5Very low30.7Very low154 Ų154139.8 Ų139.879%0.7974%0.743SS**  trans73.7146.8174.9-82.5160.9000115.4
339D33.4Very low30.9Very low133 Ų133143.3 Ų143.371%0.71175%0.746SS**  cis179-176.4-39.6-118.361.9000107.5
340P36.2Very low31.2Very low115 Ų115139.6 Ų139.675%0.74774%0.736SS**  cis-130.7-177.6-9.933.9-14.3000114.7
341S28Very low31.1Very low105 Ų105136.1 Ų136.173%0.73472%0.723SS**  trans-93.1149.4168.757.70000114.2
342N33Very low31.3Very low151 Ų151140 Ų14081%0.80773%0.728SS**  trans-144.4103.9158.4-123.1-2.9000107.7
343H33.5Very low31.4Very low148 Ų148135.8 Ų135.869%0.68572%0.719SS**  79.4124.789.1-107.1-59.5000115.4
344N30.8Very low31.4Very low126 Ų126139.4 Ų139.467%0.67472%0.723SS**  trans66.4137.3153.2-60.2-3.2000116.8
345N31.7Very low31.5Very low127 Ų127139.9 Ų139.968%0.67972%0.724SS**  cis-164.2169.413.1-115.1-0.1000111.3
346N33Very low31.2Very low127 Ų127141.8 Ų141.868%0.67973%0.727SS**  trans71.4138.1156.8-6512.5000119.4
347E32.9Very low30.9Very low147 Ų147140.3 Ų140.369%0.68772%0.721SS**  cis-163.7168.3-15.7-127.1-170.6129.900112.5
348I32.4Very low30.7Very low109 Ų109143.6 Ų143.656%0.55973%0.73SS**  trans64.198147.7-74.3171.2000117.8
349K32.4Very low30.5Very low172 Ų172145.2 Ų145.275%0.74874%0.737SS**  94144.586.7-82.9177.7-165.2160.10113.1
350T31.3Very low30.2Very low106 Ų106147.5 Ų147.565%0.6574%0.74SS**  cis-165.8146.7-13.716.50000111.5
351N28.9Very low29.9Very low130 Ų130149.6 Ų149.670%0.69574%0.744SS**  trans61.3142.4139.1-60.3-8.6000123.6
352N30.5Very low30Very low148 Ų148151.4 Ų151.479%0.79174%0.741SS**  trans71.5153.9146.8-65.4-17.4000120
353S29.5Very low29.8Very low95 Ų95152.8 Ų152.866%0.66475%0.748SS**  cis-165.8168.2-3163.10000110.6
354N25.8Very low29.7Very low145 Ų145150.2 Ų150.278%0.77575%0.746SS**  trans-10.3121.4161.7-60.3-44.4000118.6
355R28.2Very low29.9Very low233 Ų233147.3 Ų147.388%0.87975%0.747SS**  174.4132.1114.3-96.1162.6-179.8-169.70.8116.4
356R25.1Very low29.8Very low218 Ų218148.7 Ų148.782%0.82375%0.752SS**  25.5136.7129.9-73.6-175.5-177.8167.71.2122
357N26.4Very low29.7Very low135 Ų135149.8 Ų149.872%0.72276%0.758SS**  trans91.9119.4135.1-69.8-4.3000121.5
358K27.3Very low29.3Very low192 Ų192149.8 Ų149.884%0.83576%0.761SS**  trans42.9128.8135.8-70.6-178.3175177.20120
359M30.3Very low29.1Very low188 Ų188150.7 Ų150.793%0.92678%0.776SS**  -129.9148.5127.5-144.7169-170.100109.9
360K26.9Very low28.8Very low180 Ų180150.4 Ų150.478%0.78378%0.782SS**  trans-157131.6-176.2-166.7-174-173.6-171.80109.9
361L29.1Very low28.7Very low160 Ų160148.9 Ų148.984%0.83879%0.788SS**  trans-134.3115.4165.4-85.4136.4000105.4
362Q30.4Very low28.6Very low143 Ų143149.9 Ų149.967%0.66879%0.793SS**  71.8104.353.7-77.3-128.5-81.300115.2
363L29.9Very low28.4Very low179 Ų179149.2 Ų149.294%0.93779%0.79SS**  -139.8164.3117.4-144.768.9000108.7
364S30.1Very low28.4Very low94 Ų94152.8 Ų152.866%0.65780%0.795SS**  trans-164.3144.2-166.752.70000115.8
365G35Very low28.4Very low66 Ų66150.6 Ų150.668%0.6879%0.792SS**  trans-160.3127.1158.800000108.5
366I30.1Very low28.4Very low156 Ų156143.7 Ų143.780%0.878%0.779SS**  76.8120.359-65.3168.8000109.7
367N31.3Very low28.5Very low150 Ų150139.6 Ų139.680%0.80277%0.773SS**  cis-150.5179.88.6-135.40.1000114.7
368I24.8Very low28.8Very low147 Ų147140.3 Ų140.375%0.75477%0.772SS**  trans-108.9146.5176.1-62.9161.3000110.2
369C27.1Very low29.1Very low127 Ų127135.9 Ų135.986%0.85876%0.757SS**  trans-172.8161140.8-112.90000115.1
370N27Very low29.2Very low167 Ų167136 Ų13689%0.89375%0.747SS**  trans-85.9160.6176.9-64.3-28000112.6
371G29.8Very low29.1Very low74 Ų74134.3 Ų134.376%0.76375%0.747SS**  trans-168132.3166.200000112.2
372N26.1Very low29.4Very low151 Ų151135 Ų13581%0.80775%0.745SS**  trans-109.4162.4-175.2-82.7-10.5000112.8
373N26.2Very low29.3Very low134 Ų134133.7 Ų133.772%0.71775%0.748SS**  trans81.2146.2148.7-68.7-8.6000121.9
374H29.1Very low29.5Very low170 Ų170132 Ų13279%0.78774%0.738SS**  trans69.4126.1160.3-71.3-59000117.7
375S26.5Very low29.5Very low99 Ų99135.4 Ų135.469%0.69275%0.749SS**  87.213467.5-150.30000110.5
376S28Very low29.5Very low87 Ų87138.9 Ų138.961%0.60875%0.752SS**  cis-172.4155.42.922.90000112.2
377N27.9Very low29.7Very low132 Ų132138.7 Ų138.771%0.70675%0.747SS**  trans65.3160.5148.4-62.1-0000121.2
378H31.9Very low29.8Very low151 Ų151137.5 Ų137.570%0.69974%0.741SS**  trans73.9137164.8-61.1-61.7000117
379D33.8Very low30.2Very low98 Ų98136.3 Ų136.352%0.52474%0.736SS.*  cis-156.9157.4-1.4-121.6-26.8000115.2
380R31.3Very low30.7Very low190 Ų190138.4 Ų138.472%0.71773%0.733SS**  trans36.7121.4149.7-71.6165.7-113.8-172.45.9120.1
381N26.6Very low31.1Very low146 Ų146135.8 Ų135.878%0.78173%0.728SS**  65.610772.1-75.72.9000115.8
382H34.3Very low31.2Very low173 Ų173139.6 Ų139.680%0.80173%0.731SS**  trans-171.7123.6138.4-99.8-75.4000105.1
383T28Very low31.8Very low117 Ų117138.5 Ų138.572%0.71873%0.729SS**  cis53.6103.636.964.80000115.4
384I34.5Very low32.3Very low143 Ų143138.5 Ų138.573%0.73373%0.729SS**  -161.4125.1128-92144.4000107.4D386I384-D386 HydrophobicContact CG2-CB 4.21Å
385D29.6Very low32.7Very low165 Ų165137 Ų13788%0.88273%0.727SS**  trans-91.1135.4156-73.5-70.1000106.9
386D35.1Very low33.1Very low139 Ų139138.4 Ų138.474%0.74373%0.727SS**  trans-149.8104.6165.7-114-37.5000114I384I384-D386 HydrophobicContact CG2-CB 4.21Å
387H35.7Very low33.6Very low152 Ų152140.6 Ų140.670%0.70473%0.732SS**  trans12.2137.7142.1-84.4-65.4000123.4
388N32.4Very low34Very low125 Ų125140 Ų14067%0.66873%0.729SS**  trans65.3136.2136.5-50.7-15.9000117.8
389N34.1Very low34.2Very low122 Ų122139.1 Ų139.165%0.65273%0.729SS**  -177.9155.257.5-111.1-36.4000111.7
390H35.9Very low34.4Very low171 Ų171140.8 Ų140.879%0.79274%0.738SS**  trans53.5159.1149.8-62.6-45.5000120.3
391S35.7Very low34.6Very low113 Ų113138.3 Ų138.379%0.7974%0.739SS**  cis-146168.215.140.20000113.6
392N32.4Very low34.9Very low154 Ų154136 Ų13682%0.82473%0.734SS**  trans-79.2162.3178.8-54-32.6000113.8
393T38Very low34.9Very low127 Ų127134.8 Ų134.878%0.77973%0.734SS**  trans-155.2122.1136.1180000113.1
394N37.2Very low35Very low134 Ų134136.3 Ų136.372%0.71774%0.738SS**  trans59.6133.7150.4-54.2-14.3000119.7
395N37.1Very low34.8Very low139 Ų139134.2 Ų134.274%0.74374%0.736SS**  cis68133.547-63.6-5.6000112.6
396N35.9Very low35Very low129 Ų129133.6 Ų133.669%0.6973%0.732SS**  cis-162.3-166.6-7.1-132.46.7000109.4
397D38.3Very low34.7Very low132 Ų132134 Ų13471%0.70673%0.734SS**  trans74149.7155-61.9-40.2000119.4
398N36.8Very low34.6Very low119 Ų119133.2 Ų133.264%0.63674%0.74SS**  cis-163.4139.4-36.3-131.8-49.9000112
399N35.9Very low34.4Very low134 Ų134133.7 Ų133.772%0.71774%0.743SS**  trans45.3151.9146.8-80.5-27.1000126.4
400N37.2Very low34.5Very low133 Ų133137.9 Ų137.971%0.71176%0.755SS**  trans90.798.3147.2-66.9-25.1000123.8
401N35.9Very low34.1Very low138 Ų138136.6 Ų136.674%0.73876%0.755SS**  50.7112.2113.3-74.4-18.7000123.2
402S32.1Very low34.1Very low96 Ų96138.9 Ų138.967%0.67176%0.758SS**  80.3148.5118.3-56.80000123.3
403N34.9Very low33.8Very low148 Ų148138.4 Ų138.479%0.79176%0.755SS**  trans84.3101.4157.1-61.8-18.8000121
404N30.2Very low33.5Very low150 Ų150139.6 Ų139.680%0.80275%0.751SS**  48.1124.9125.9-78.6-1000122.9
405S31.3Very low33.1Very low99 Ų99139.8 Ų139.869%0.69275%0.751SS**  97.5138.4125.6760000121.6
406N33.3Very low32.8Very low151 Ų151141.4 Ų141.481%0.80776%0.756SS**  trans75.9126.6150.1-60.4-12.8000121.5
407N27.9Very low32.6Very low147 Ų147141.3 Ų141.379%0.78675%0.75SS**  trans-29.6146.2164-45-10.6000116.5
408T33.8Very low32.3Very low136 Ų136138.1 Ų138.183%0.83474%0.741SS**  -167160.1108.613.90000113.3
409D29.4Very low32.2Very low136 Ų136138.9 Ų138.973%0.72775%0.746SS**  trans-74.3157.5-166.7-34.5-81.3000115
410K34.2Very low31.8Very low209 Ų209138.5 Ų138.591%0.90974%0.743SS**  -166.2159.9125.2-106154.2-171.3171.90113.7
411N28.1Very low31.6Very low145 Ų145139 Ų13978%0.77575%0.751SS**  trans-102.2153-171.5-49.9-45.3000111.9
412D35.1Very low31.3Very low161 Ų161140.7 Ų140.786%0.86175%0.748SS**  trans-171.8148.3136.6-88.7-34.3000107.4
413L28Very low31.1Very low144 Ų144145 Ų14575%0.75476%0.755SS**  cis163.9143.2-33175.975.2000105.5
414Q31.7Very low30.6Very low151 Ų151143.1 Ų143.171%0.70675%0.749SS**  trans117.8108.5159.9-61.1-166.314.700116.6
415I28.2Very low30.3Very low139 Ų139144.6 Ų144.671%0.71375%0.749SS**  84.3133.798.3-68.7165.3000112.2
416M30.1Very low30.2Very low172 Ų172146.8 Ų146.885%0.84775%0.753SS**  cis-137.7-179.812-142.9-174.8-95.400108.5
417K32.2Very low29.8Very low128 Ų128146.9 Ų146.956%0.55775%0.753SS**  cis-139.31741.3-164.1-125.5177.5-169.70110.2D419K417-D419 IonicContact NZ-OD1 3.83Å; K417-D419 PolarHBondContact NZ-OD1 3.47Å; K417-D419 IonicContact NZ-OD2 2.69Å
418A32.5Very low29.8Very low64 Ų64146.2 Ų146.253%0.52975%0.754SS.*  trans-48.9172.7164.400000114.8
419D33.8Very low29.5Very low136 Ų136147.5 Ų147.573%0.72775%0.748SS**  cis-125.5155.833.2-56.1-46.2000117.2K417K417-D419 IonicContact NZ-OD1 3.83Å; K417-D419 PolarHBondContact NZ-OD1 3.47Å; K417-D419 IonicContact NZ-OD2 2.69Å
420D28.9Very low29.3Very low126 Ų126146.9 Ų146.967%0.67475%0.752SS**  trans-103.5138.4-176.7-71.6-67.5000113.5Y422D420-Y422 HydrophobicContact CB-CD2 4.21Å; D420-Y422 HydrophobicContact CB-CE2 4.14Å
421V33.1Very low28.9Very low143 Ų143142.8 Ų142.887%0.86775%0.748SS**  trans-139.984.6150.5-170.90000112.3
422Y27.9Very low28.8Very low174 Ų174143.2 Ų143.268%0.68275%0.75SS**  20.1118.2124.6-70.5-93.3000119.9D420D420-Y422 HydrophobicContact CB-CD2 4.21Å; D420-Y422 HydrophobicContact CB-CE2 4.14Å
423F28.1Very low28.3Very low187 Ų187140.1 Ų140.182%0.8274%0.741SS**  176.3150.386.4-113.2-68.7000113.5
424T24.4Very low28.4Very low107 Ų107143 Ų14366%0.65675%0.748SS**  trans-109.3172.8168.449.50000111.2
425F25.3Very low28.2Very low182 Ų182140.6 Ų140.680%0.79874%0.74SS**  trans66.6135.4179.3-66.4-92.6000114.6
426N28.6Very low28.2Very low145 Ų145141 Ų14178%0.77574%0.738SS**  cis-157.8167.841.1-111.7-48.1000114.1
427N25.4Very low28.2Very low153 Ų153140 Ų14082%0.81873%0.731SS**  trans-72.4137162-69-65.6000111.2
428V28Very low28Very low132 Ų132139.6 Ų139.680%0.874%0.739SS**  trans162134160.6144.20000107.1
429K27.1Very low27.8Very low163 Ų163141.4 Ų141.471%0.70975%0.748SS**  cis-152.7156.5-8.6-105.2169.7-173.9173.80108C431K429-C431 PolarHBondContact O-N 2.9Å
430P24.1Very low27.4Very low124 Ų124145.6 Ų145.681%0.80575%0.754SS**  trans-77.3110.3161.331.4-30.8000110.2N432P430-N432 PolarHBondContact O-N 3.46Å
431C26.9Very low27.5Very low122 Ų122146.4 Ų146.482%0.82476%0.756SS**  trans-90.166.4178.2-72.30000112.8K429K429-C431 PolarHBondContact O-N 2.9Å
432N25.3Very low27.2Very low154 Ų154146.7 Ų146.782%0.82475%0.746SS**  trans-75.2163.4149.1-92.9-24.5000109.5P430P430-N432 PolarHBondContact O-N 3.46Å
433S26Very low27.2Very low96 Ų96143.9 Ų143.967%0.67174%0.743SS**  trans71.280.6166.9-176.10000118.1
434F28.3Very low27.3Very low206 Ų206140.3 Ų140.390%0.90474%0.741SS**  trans-150.6131.5135.5-113.9-91.2000108.7
435N27.6Very low27.6Very low99 Ų99139.1 Ų139.153%0.52974%0.737SS.*  cis-159.9157.5-29.8-139.2-27.1000110.5
436H28.4Very low27.9Very low148 Ų148137.3 Ų137.369%0.68574%0.736SS**  trans64.9146.2163.7-89.7-94.8000122.2
437H30.3Very low27.9Very low151 Ų151136.2 Ų136.270%0.69973%0.734SS**  trans48.6108.1169.6-65.6-72.5000119.9
438V27.8Very low28.3Very low119 Ų119137 Ų13772%0.72174%0.737SS**  cis95.7136.943170.50000112.8
439S29.7Very low28.4Very low103 Ų103138.2 Ų138.272%0.7273%0.734SS**  trans65.1121.3179.530.70000115.7
440R24.8Very low28.6Very low223 Ų223137.8 Ų137.884%0.84274%0.739SS**  cis76.3138.140.2-164.9-143.4-88.1176.2-9.2111.2
441I30.3Very low28.9Very low143 Ų143135 Ų13573%0.73373%0.733SS**  trans76.8143.6176.8-63.9156.4000113
442K26.9Very low29.2Very low150 Ų150140.5 Ų140.565%0.65274%0.738SS**  cis178.2157.9-31.5-139.6175.5153.7-73.40106.6
443D27.3Very low29.3Very low114 Ų114140.8 Ų140.861%0.6174%0.739SS**  trans59.7147.1155.1-51.5-36.2000120.7
444S31.8Very low29.7Very low113 Ų113142.2 Ų142.279%0.7975%0.749SS**  trans65.7160.8154.6-78.60000119.1
445S28.7Very low29.7Very low81 Ų81138.6 Ų138.657%0.56674%0.744SS**  cis-171.6176.8-26.7-93.30000106.3
446D32.4Very low29.9Very low145 Ų145146 Ų14678%0.77577%0.765SS**  trans67.2109.2158.4-48.1-39.1000116.6
447V28.9Very low30Very low121 Ų121150.3 Ų150.373%0.73378%0.775SS**  66.8114.865.9179.10000113.1
448I33.5Very low30.3Very low171 Ų171147.8 Ų147.888%0.87777%0.772SS**  trans-151.5143.9142.4-103.3151.2000108.3
449Q29.8Very low30.7Very low157 Ų157149 Ų14973%0.73477%0.774SS**  trans-108.1-179.9-178.4-65.7-179.2-69.600111.7
450N31.1Very low31.1Very low154 Ų154149.6 Ų149.682%0.82477%0.769SS**  trans79.7134.4166.8-46.1-42.5000115.1
451G31.3Very low31.7Very low65 Ų65146.9 Ų146.967%0.6776%0.764SS**  cis120130.7-8.100000113.8
452Y32.5Very low32.1Very low237 Ų237146.5 Ų146.593%0.92976%0.763SS**  trans-146.9126.1171.4-99.9-76.6000111.9
453N27.7Very low32.5Very low161 Ų161148.3 Ų148.386%0.86177%0.771SS**  trans-101.3143.6165-83.7-46.1000109.3
454S34.2Very low32.5Very low126 Ų126147.8 Ų147.888%0.88178%0.775SS**  trans-159.1144146.1-162.40000112
455T28.3Very low32.6Very low130 Ų130150 Ų15080%0.79878%0.777SS**  trans-121.2141.1-174.455.10000111.9
456R32.3Very low32.6Very low255 Ų255150 Ų15096%0.96278%0.783SS**  trans-149.5143.5154.5-113.2170.4-174.1-1770.6113
457R29.5Very low32.7Very low238 Ų238151.5 Ų151.590%0.89879%0.788SS**  trans-106.8-168.4173.3-57.2176161.9-179.9-4108.6
458P38.1Very low32.7Very low98 Ų98155.1 Ų155.164%0.63680%0.795SS**  cis-138.8-173.7-7.632.5-9.2000116.3
459N34.8Very low32.6Very low143 Ų143151.5 Ų151.577%0.76579%0.79SS**  trans75.9151.5160-59.1-27.3000117.1
460N39.4Very low32.7Very low116 Ų116153.9 Ų153.962%0.6280%0.798SS**  cis-154.1151.520.2-133.7-16.5000112.6
461K37.1Very low32.7Very low167 Ų167153.6 Ų153.673%0.72680%0.796SS**  trans40.6136.4143.8-69.4165.3-168.2177.20120.7
462N38.8Very low32.8Very low134 Ų134156.9 Ų156.972%0.71780%0.803SS**  cis-148.915014.8-78.5-42.7000109
463K34.4Very low32.6Very low189 Ų189152.7 Ų152.782%0.82280%0.797SS**  55.1136.369.8-78-169.3173.3-177.90113.9
464C28.3Very low32.9Very low102 Ų102151.7 Ų151.769%0.68980%0.797SS**  cis-159.5174.57-105.40000108.1
465L32.5Very low32.5Very low159 Ų159150.7 Ų150.783%0.83279%0.79SS**  cis-157.1-166.40-130.7171.6000109.2
466A29.7Very low32.7Very low83 Ų83153.8 Ų153.869%0.68679%0.792SS**  trans-140.6152.2169.700000112.1
467I34.2Very low32.7Very low175 Ų175148.3 Ų148.390%0.89779%0.787SS**  trans-133.5151.8176.7-66.5-174.8000111.4
468K29.7Very low32.6Very low198 Ų198147.1 Ų147.186%0.86179%0.788SS**  trans-101.7149.3-163.6-80.2177.8172.7175.10115.6
469A30.1Very low32.3Very low94 Ų94152.3 Ų152.378%0.77780%0.801SS**  trans60.6136.1134.700000122.5
470K33.3Very low32Very low207 Ų207156 Ų15690%0.981%0.81SS**  -145.9127.1129-112.8171.9-176.9175.80110.1
471N30.3Very low31.5Very low148 Ų148162.3 Ų162.379%0.79183%0.825SS**  trans-85.2136.3172-89.8-15.8000109.9
472V34.7Very low31.1Very low134 Ų134162.6 Ų162.681%0.81283%0.831SS**  trans-138.7119.8153-179.60000107.9
473N27.5Very low30.7Very low150 Ų150161 Ų16180%0.80283%0.827SS**  trans-95.9126.9173.4-76.3-34.4000109.9
474T33.5Very low30.5Very low140 Ų140158.2 Ų158.286%0.85983%0.831SS**  trans-144131.5153.320.50000109.9
475S26.2Very low30.5Very low105 Ų105158.1 Ų158.173%0.73483%0.83SS**  trans-103.1168.6-175.158.30000112.1
476K32.9Very low30.5Very low195 Ų195155.8 Ų155.885%0.84883%0.826SS**  trans100133.9-171.9-58.6154.9-174.3175.80111.7
477T32.7Very low30.6Very low140 Ų140155 Ų15586%0.85983%0.826SS**  cis-148.9153.83.7-8.20000111.6
478K27.4Very low30.5Very low212 Ų212155.8 Ų155.892%0.92283%0.826SS**  trans-72.2130-179.5-68.6172.9178.2170.60112.3
479K31.6Very low30.6Very low208 Ų208157.8 Ų157.890%0.90483%0.828SS**  trans-147.9106.3150.5-132.1169.9-173.5174.10110.2
480K27Very low30.6Very low219 Ų219159.5 Ų159.595%0.95284%0.835SS**  trans-64.5138.9178.5-74.7-177.5174.2-1780110
481R29.1Very low30.7Very low250 Ų250153.2 Ų153.294%0.94383%0.829SS**  trans-120.9137157.6-138.5175.7-171.3177.32.4107.3
482M30.2Very low30.8Very low173 Ų173151.8 Ų151.885%0.85283%0.83SS**  trans-91.5130.8-155.7-151147.186.100113.2
483T30.2Very low30.9Very low101 Ų101151.2 Ų151.262%0.6283%0.83SS**  trans47.498.5152.455.30000118.6
484S30.2Very low31.2Very low129 Ų129150.9 Ų150.990%0.90283%0.833SS**  -89.7123.4128.9176.70000107.2
485C28.4Very low31.1Very low101 Ų101153.6 Ų153.668%0.68284%0.836SS**  trans-147.397.5-177.8-70.30000112.1
486C31.8Very low31.5Very low109 Ų109154.7 Ų154.774%0.73684%0.844SS**  trans-144.491.4152.5-101.80000107.8
487G31.2Very low31.5Very low68 Ų68147.8 Ų147.870%0.70183%0.828SS**  trans-99.2149.3161.500000109
488E32.2Very low31.7Very low191 Ų191146 Ų14689%0.89382%0.821SS**  trans-82.4141.5-171.6-61.5169127.900112.6
489R31.7Very low32.3Very low239 Ų239145.4 Ų145.490%0.90282%0.819SS**  trans-164.8139.2148.8-109.3167.4-167.4-1570.1109.5
490S31.8Very low33Very low130 Ų130143.6 Ų143.691%0.90981%0.808SS**  trans-90.1153-179.642.40000111.7
491G33.7Very low34Very low76 Ų76138.5 Ų138.578%0.78480%0.797SS**  trans-177134.5177.500000109.7
492S33.7Very low34.7Very low117 Ų117132.6 Ų132.682%0.81878%0.784SS**  trans-80.1148-172.343.50000113.1
493P36.1Very low35.8Very low123 Ų123126.9 Ų126.980%0.79976%0.763SS**  trans-87.9153.2177.535.3-34.7000113
494T34.4Very low37Very low143 Ų143128.2 Ų128.288%0.87777%0.765SS**  trans-123168.6165.544.10000110.9
495Q31.4Very low37.7Very low196 Ų196128.9 Ų128.992%0.91676%0.758SS**  trans-94.6178-150.7-61.3173.1-14.200116.1
496S33.6Very low38.5Very low128 Ų128129.8 Ų129.890%0.89575%0.751SS**  trans94.1129.7171-156.60000116
497G34.5Very low38.8Very low51 Ų51127.5 Ų127.553%0.52675%0.745SS.*  cis179165.4-5.200000114.7
498S35.5Very low39.4Very low102 Ų102129.5 Ų129.571%0.71374%0.74SS**  trans47.184.9162-1760000119.8
499F39.4Very low39.8Very low199 Ų199129 Ų12987%0.87374%0.735SS**  trans-164.961.5138.7-110.7-66.5000111.7
500Y47.8Very low40.1Very low171 Ų171123.3 Ų123.367%0.67173%0.729SS**  trans-106-13.6-164.4-66.9-74.4000120
501P47Very low40.4Very low111 Ų111127.8 Ų127.872%0.72173%0.726SS**Hα-helixtrans-67.1-41.2-175.9-25.134.9000116.1
502L44.4Very low40.7Very low127 Ų127130.4 Ų130.467%0.66573%0.726SS**Hα-helixtrans-72.2-36.9-167.8-115.579000114I504 L505 F506L502-I504 VanDerWaalsContact C-N 3.25Å; L502-I504 PolarHBondContact O-N 3.38Å; L502-L505 WeakPolarHBondContact O-CB 3.38Å; L502-L505 PolarHBondContact O-N 2.64Å; L502-L505 VanDerWaalsContact O-N 3.13Å; L502-F506 HydrophobicContact CD2-CE2 4.4Å; L502-F506 HydrophobicContact CG-CE2 4.47Å; L502-F506 WeakPolarHBondContact O-CD2 3.45Å
503A54.1Low40.6Very low52 Ų52130 Ų13043%0.4372%0.723SS.*Hα-helixtrans-62.7-32-172.800000113.2L505 F506A503-L505 VanDerWaalsContact C-N 3.31Å; A503-L505 PolarHBondContact O-N 3.45Å; A503-F506 PolarHBondContact O-N 2.89Å
504I55Low40.7Very low129 Ų129131.9 Ų131.966%0.66272%0.715SS**Hα-helixtrans-69.7-30.8179.9-61.7175.3000111.2L502 F506L502-I504 VanDerWaalsContact C-N 3.25Å; L502-I504 PolarHBondContact O-N 3.38Å; I504-F506 PolarHBondContact O-N 3.1Å
505L43.6Very low40.8Very low144 Ų144135 Ų13575%0.75471%0.71SS**Hα-helixtrans-69.8-21.4177.7-15676.8000112.8L502 A503L502-L505 WeakPolarHBondContact O-CB 3.38Å; L502-L505 PolarHBondContact O-N 2.64Å; L502-L505 VanDerWaalsContact O-N 3.13Å; A503-L505 VanDerWaalsContact C-N 3.31Å; A503-L505 PolarHBondContact O-N 3.45Å
506F46.2Very low41.5Very low120 Ų120131.7 Ų131.753%0.52670%0.695SS.*THydrogen-bonded Turntrans-10823.5-178.2-64.9-73000113.5L502 A503 I504 D508L502-F506 HydrophobicContact CD2-CE2 4.4Å; L502-F506 HydrophobicContact CG-CE2 4.47Å; L502-F506 WeakPolarHBondContact O-CD2 3.45Å; A503-F506 PolarHBondContact O-N 2.89Å; I504-F506 PolarHBondContact O-N 3.1Å; F506-D508 VanDerWaalsContact C-N 3.34Å; F506-D508 PolarHBondContact O-N 3.43Å
507G37.4Very low42.3Very low60 Ų60129.5 Ų129.562%0.61968%0.679SS**THydrogen-bonded Turntrans80.6-3.8165.300000117.1K509G507-K509 PolarHBondContact O-N 2.92Å
508D44.2Very low43.3Very low111 Ų111135.2 Ų135.259%0.59469%0.685SS**  trans-68.395.5177.8-95.2-26.1000111F506 P510F506-D508 VanDerWaalsContact C-N 3.34Å; F506-D508 PolarHBondContact O-N 3.43Å; D508-P510 VanDerWaalsContact O-CD 3.27Å; D508-P510 WeakPolarHBondContact O-CD 3.44Å
509K41.2Very low44.5Very low180 Ų180136.3 Ų136.378%0.78368%0.677SS**  trans-72113.5172.6-72.3175.5-179.9168.80110.1G507 R511G507-K509 PolarHBondContact O-N 2.92Å; K509-R511 PolarHBondContact O-N 3.22Å
510P36.9Very low45.3Very low119 Ų119127.7 Ų127.777%0.77364%0.642SS**  trans-77.993.3-178.731.4-34.1000111.1D508D508-P510 VanDerWaalsContact O-CD 3.27Å; D508-P510 WeakPolarHBondContact O-CD 3.44Å
511R38.7Very low45.8Very low225 Ų225127.9 Ų127.985%0.84964%0.641SS**  trans-129.488.9176.1-75-169.1173.5174.5-1.4114.1K509K509-R511 PolarHBondContact O-N 3.22Å
512V39.2Very low46.3Very low131 Ų131124.1 Ų124.179%0.79462%0.615SS**  trans51.4112.2131.4-176.30000119
513S31.5Very low46.8Very low107 Ų107119.9 Ų119.975%0.74860%0.595SS**  trans57.571.3149.774.50000120.9
514R38.7Very low47.1Very low164 Ų164119.8 Ų119.862%0.61959%0.585SS**  -136.2153123.8-93.5-179.3-168.7-175.96.6109.3E516R514-E516 PolarHBondContact O-N 3.35Å
515R36.8Very low47.7Very low209 Ų209114.2 Ų114.279%0.78956%0.56SS**  trans-76.878.2171.1-71.6-174.8-175.1160.53.7108.9C517R515-C517 PolarHBondContact O-N 3.49Å
516E46.6Very low49.2Very low126 Ų126107.7 Ų107.759%0.58953%0.526SS*.  trans-59.1130.6168.9-64.5-162.6138.700109.3R514 Y518R514-E516 PolarHBondContact O-N 3.35Å; E516-Y518 PolarHBondContact O-N 2.92Å
517C48.8Very low50.6Low82 Ų82102.7 Ų102.755%0.55451%0.505SS*.  trans-74.9118.2179.3-164.30000108.5R515 F519 N595R515-C517 PolarHBondContact O-N 3.49Å; C517-F519 CarbonylContact O-C 3.59Å; C517-F519 PolarHBondContact O-N 3.15Å; C517-F519 PolarHBondContact SG-O 3.38Å; C517-N595 PolarHBondContact O-ND2 2.72Å
518Y55.7Low52.8Low170 Ų170104.1 Ų104.167%0.66750%0.498SS*.SBendtrans-48-35.1-177.7-69.1-104.6000112.9E516 N595 V596E516-Y518 PolarHBondContact O-N 2.92Å; Y518-N595 PolarHBondContact O-N 2.88Å; Y518-V596 HydrophobicContact CD1-CG2 3.68Å; Y518-V596 HydrophobicContact CG-CG2 4.11Å
519F60.8Low54.6Low125 Ų125104.1 Ų104.155%0.54849%0.49SS..EExtended strand (participates in β ladder)trans-124.7118.3168.7-57.2-82.5000109.8C517 V592 V593 F594C517-F519 CarbonylContact O-C 3.59Å; C517-F519 PolarHBondContact O-N 3.15Å; C517-F519 PolarHBondContact SG-O 3.38Å; F519-V592 HydrophobicContact CB-CG1 4.47Å; F519-V592 HydrophobicContact CD1-CG1 3.61Å; F519-V592 HydrophobicContact CE1-CG1 4.34Å; F519-V592 HydrophobicContact CG-CG1 4.44Å; F519-V593 CarbonylContact C-O 3.6Å; F519-F594 AromaticContact CD1-CD1 3.93Å; F519-F594 HydrophobicContact CD1-CD1 3.93Å; F519-F594 HydrophobicContact CD1-CE1 4.3Å; F519-F594 AromaticContact CE1-CD1 3.63Å; F519-F594 HydrophobicContact CE1-CD1 3.63Å; F519-F594 AromaticContact CE1-CE1 3.8Å; F519-F594 HydrophobicContact CE1-CE1 3.8Å
520S57.4Low56.6Low18 Ų1895.6 Ų95.613%0.12645%0.453CS..EExtended strand (participates in β ladder)trans-81.6158.7160.7-74.60000109.8V593 N595S520-V593 PolarHBondContact N-O 3.19Å; S520-V593 PolarHBondContact O-N 3.32Å; S520-V593 VanDerWaalsContact O-O 3.13Å; S520-N595 PolarHBondContact OG-ND2 3.08Å
521R57.1Low59.1Low176 Ų17691 Ų9166%0.66442%0.421SS*.EExtended strand (participates in β ladder)trans-122.4125.6167.4-56.5-172.483.81095108.6R591R521-R591 VanDerWaalsContact CA-O 3.29Å; R521-R591 WeakPolarHBondContact CA-O 3.42Å
522D58.9Low61.5Low31 Ų3185 Ų8517%0.16641%0.405CS..  trans-66.9144.8172.8-74.6-25000111.3E524 R591 V593 K745D522-E524 VanDerWaalsContact C-N 3.33Å; D522-E524 CarbonylContact C-O 3.5Å; D522-E524 VanDerWaalsContact C-O 3.32Å; D522-E524 WeakPolarHBondContact CB-O 3.39Å; D522-R591 PolarHBondContact N-O 2.89Å; D522-V593 VanDerWaalsContact CG-CG2 3.46Å; D522-V593 WeakPolarHBondContact OD1-CG2 3.39Å; D522-V593 WeakPolarHBondContact OD2-CG2 3.18Å; D522-K745 WeakPolarHBondContact OD2-CD 3.25Å; D522-K745 IonicContact OD2-NZ 2.76Å; D522-K745 PolarHBondContact OD2-NZ 3.28Å
523T53.6Low63.8Low39 Ų3979.1 Ų79.124%0.23937%0.371CS..SBendtrans-63.5-44179.154.40000110.6R591 S753 E757T523-R591 PolarHBondContact O-NH1 3.36Å; T523-S753 WeakPolarHBondContact CG2-O 3.47Å; T523-E757 HydrophobicContact CG2-CB 3.59Å; T523-E757 HydrophobicContact CG2-CG 3.63Å
524E61.6Low66.7Low49 Ų4974.2 Ų74.223%0.22934%0.337CS..SBendtrans-111.8-166.4171.3-52.1-158.8122.600107.3D522 R760 E846 R994D522-E524 VanDerWaalsContact C-N 3.33Å; D522-E524 CarbonylContact C-O 3.5Å; D522-E524 VanDerWaalsContact C-O 3.32Å; D522-E524 WeakPolarHBondContact CB-O 3.39Å; E524-R760 IonicContact OE1-CZ 2.69Å; E524-R760 IonicContact OE1-NH1 3.77Å; E524-R760 PolarHBondContact OE1-NH1 3.49Å; E524-R760 IonicContact OE1-NH2 3.96Å; E524-E846 VanDerWaalsContact CB-OE2 3.31Å; E524-E846 WeakPolarHBondContact CB-OE2 3.27Å; E524-R994 IonicContact OE1-NH1 3.89Å
525G67.1Low69.4Low13 Ų1368.2 Ų68.213%0.13432%0.318CS..  trans156.3173.4-169.400000112N527 E846G525-N527 PolarHBondContact O-N 3.01Å; G525-E846 VanDerWaalsContact CA-OE1 3.27Å; G525-E846 WeakPolarHBondContact CA-OE1 3.29Å; G525-E846 WeakPolarHBondContact CA-OE2 3.48Å; G525-E846 PolarHBondContact N-OE1 3.36Å; G525-E846 PolarHBondContact N-OE2 2.84Å
526V74.2Confident72Confident6 Ų660.3 Ų60.34%0.03630%0.302CS..SBendtrans-40.1125.2-169.2-1700000112.6L530 R531 H590 I738V526-L530 HydrophobicContact CG1-CB 4.39Å; V526-L530 HydrophobicContact CG1-CD2 3.95Å; V526-L530 HydrophobicContact CG1-CG 4.43Å; V526-R531 HydrophobicContact CB-CG 4.26Å; V526-R531 HydrophobicContact CG1-CG 3.88Å; V526-R531 PolarHBondContact O-NE 3.41Å; V526-R531 PolarHBondContact O-NH2 2.97Å; V526-R531 VanDerWaalsContact O-NH2 3.08Å; V526-H590 HydrophobicContact CB-CB 3.94Å; V526-H590 HydrophobicContact CG2-CB 3.86Å; V526-I738 HydrophobicContact CG1-CD1 3.98Å; V526-I738 HydrophobicContact CG1-CG1 3.89Å; V526-I738 HydrophobicContact CG2-CG2 3.93Å
527N77Confident74.2Confident15 Ų1555.1 Ų55.18%0.0828%0.277CS..  trans-48138.6-176.2-173-25.6000111.4G525 Y529 L530 R531 V983G525-N527 PolarHBondContact O-N 3.01Å; N527-Y529 VanDerWaalsContact C-N 3.26Å; N527-Y529 PolarHBondContact O-N 3.27Å; N527-Y529 WeakPolarHBondContact OD1-CD2 3.43Å; N527-Y529 PolarHBondContact OD1-N 3.04Å; N527-L530 HydrophobicContact CB-CB 4.19Å; N527-L530 PolarHBondContact O-N 3.45Å; N527-R531 PolarHBondContact O-N 3.1Å; N527-R531 VanDerWaalsContact O-N 3.1Å; N527-V983 HydrophobicContact CB-CG1 4.21Å; N527-V983 VanDerWaalsContact ND2-CG1 3.29Å; N527-V983 WeakPolarHBondContact ND2-CG1 3.36Å; N527-V983 PolarHBondContact ND2-O 2.87Å
528L82.1Confident76.4Confident91 Ų9151.2 Ų51.248%0.47625%0.251SS..Hα-helixtrans-58.4-39.1178.6-179.961.3000111.8R531 L532L528-R531 PolarHBondContact O-N 3.46Å; L528-L532 HydrophobicContact CD1-CD1 3.71Å; L528-L532 HydrophobicContact CG-CD1 4.05Å; L528-L532 VanDerWaalsContact O-CD1 3.29Å; L528-L532 WeakPolarHBondContact O-CD1 3.34Å; L528-L532 PolarHBondContact O-N 2.94Å
529Y83.4Confident78.3Confident110 Ų11048.6 Ų48.643%0.43124%0.243SC..Hα-helixtrans-70.5-41.1-178.8-67.4-87.3000112N527 R531 L532 G533 S986N527-Y529 VanDerWaalsContact C-N 3.26Å; N527-Y529 PolarHBondContact O-N 3.27Å; N527-Y529 WeakPolarHBondContact OD1-CD2 3.43Å; N527-Y529 PolarHBondContact OD1-N 3.04Å; Y529-R531 VanDerWaalsContact C-N 3.28Å; Y529-R531 PolarHBondContact O-N 2.79Å; Y529-L532 PolarHBondContact O-N 3.27Å; Y529-L532 VanDerWaalsContact O-N 3.14Å; Y529-G533 PolarHBondContact O-N 2.98Å; Y529-S986 WeakPolarHBondContact CD2-OG 3.48Å
530L82.8Confident79.9Confident2 Ų243 Ų431%0.0122%0.221CC..Hα-helixtrans-60.8-38.2173.1-168.661.7000111.7V526 N527 G533 A534 I734 I738 F979 V983V526-L530 HydrophobicContact CG1-CB 4.39Å; V526-L530 HydrophobicContact CG1-CD2 3.95Å; V526-L530 HydrophobicContact CG1-CG 4.43Å; N527-L530 HydrophobicContact CB-CB 4.19Å; N527-L530 PolarHBondContact O-N 3.45Å; L530-G533 PolarHBondContact O-N 2.94Å; L530-A534 PolarHBondContact O-N 3.45Å; L530-I734 HydrophobicContact CD1-CB 4.45Å; L530-I734 HydrophobicContact CD1-CD1 4.48Å; L530-I734 HydrophobicContact CD1-CG1 4.03Å; L530-I734 HydrophobicContact CD1-CG2 3.72Å; L530-I734 HydrophobicContact CG-CG2 4Å; L530-I738 HydrophobicContact CD2-CD1 4.45Å; L530-I738 HydrophobicContact CD2-CG1 4.16Å; L530-I738 HydrophobicContact CG-CD1 4.34Å; L530-F979 HydrophobicContact CD1-CE1 4.05Å; L530-V983 HydrophobicContact CB-CG1 4.11Å
531R88.9Confident81.6Confident23 Ų2342.4 Ų42.49%0.08722%0.216CC..Hα-helixtrans-71.7-30.6173.9-74.5-176-71.61141114.1V526 N527 L528 Y529 V535 F587 H590V526-R531 HydrophobicContact CB-CG 4.26Å; V526-R531 HydrophobicContact CG1-CG 3.88Å; V526-R531 PolarHBondContact O-NE 3.41Å; V526-R531 PolarHBondContact O-NH2 2.97Å; V526-R531 VanDerWaalsContact O-NH2 3.08Å; N527-R531 PolarHBondContact O-N 3.1Å; N527-R531 VanDerWaalsContact O-N 3.1Å; L528-R531 PolarHBondContact O-N 3.46Å; Y529-R531 VanDerWaalsContact C-N 3.28Å; Y529-R531 PolarHBondContact O-N 2.79Å; R531-V535 WeakPolarHBondContact O-CG2 3.48Å; R531-V535 PolarHBondContact O-N 3.05Å; R531-F587 HydrophobicContact CB-CD2 4.25Å; R531-H590 VanDerWaalsContact CD-CG 3.44Å; R531-H590 VanDerWaalsContact CZ-CE1 3.45Å; R531-H590 PolarHBondContact NE-CD2 3.28Å; R531-H590 PolarHBondContact NH1-CE1 3.36Å; R531-H590 PolarHBondContact NH2-NE2 2.83Å
532L88.9Confident83.4Confident97 Ų9734.7 Ų34.751%0.50819%0.188SC..Hα-helixtrans-69.1-38.5169.8-99.273.1000111L528 Y529 V535 G536L528-L532 HydrophobicContact CD1-CD1 3.71Å; L528-L532 HydrophobicContact CG-CD1 4.05Å; L528-L532 VanDerWaalsContact O-CD1 3.29Å; L528-L532 WeakPolarHBondContact O-CD1 3.34Å; L528-L532 PolarHBondContact O-N 2.94Å; Y529-L532 PolarHBondContact O-N 3.27Å; Y529-L532 VanDerWaalsContact O-N 3.14Å; L532-V535 PolarHBondContact O-N 2.88Å; L532-G536 PolarHBondContact O-N 2.96Å
533G88.5Confident85Confident8 Ų837.5 Ų37.58%0.08220%0.202CC..Hα-helixtrans-57.7-54.6171.400000112Y529 L530 V535 G536 F537Y529-G533 PolarHBondContact O-N 2.98Å; L530-G533 PolarHBondContact O-N 2.94Å; G533-V535 PolarHBondContact O-N 3.36Å; G533-V535 VanDerWaalsContact O-N 3.16Å; G533-G536 PolarHBondContact O-N 2.68Å; G533-G536 VanDerWaalsContact O-N 3.08Å; G533-F537 WeakPolarHBondContact O-CB 3.25Å; G533-F537 WeakPolarHBondContact O-CD2 3.46Å; G533-F537 PolarHBondContact O-N 3.2Å
534A92.1Very high86.8Confident4 Ų436.1 Ų36.13%0.03319%0.192CC..Hα-helixtrans-52.2-38.3175.600000113.2L530 G538 Y731 I734L530-A534 PolarHBondContact O-N 3.45Å; A534-G538 WeakPolarHBondContact O-CA 3.35Å; A534-G538 PolarHBondContact O-N 2.84Å; A534-G538 VanDerWaalsContact O-N 3.09Å; A534-Y731 VanDerWaalsContact O-CD2 3.3Å; A534-Y731 WeakPolarHBondContact O-CD2 3.32Å; A534-Y731 VanDerWaalsContact O-CE2 3.3Å; A534-Y731 WeakPolarHBondContact O-CE2 3.32Å; A534-I734 HydrophobicContact CB-CG2 3.87Å
535V94.5Very high88.3Confident38 Ų3834 Ų3423%0.2318%0.183CC..Hα-helixtrans-71.9-48175.6170.80000111.8R531 L532 G533 G538 F539 T583 F587R531-V535 WeakPolarHBondContact O-CG2 3.48Å; R531-V535 PolarHBondContact O-N 3.05Å; L532-V535 PolarHBondContact O-N 2.88Å; G533-V535 PolarHBondContact O-N 3.36Å; G533-V535 VanDerWaalsContact O-N 3.16Å; V535-G538 PolarHBondContact O-N 3.46Å; V535-F539 HydrophobicContact CG1-CD2 3.83Å; V535-F539 HydrophobicContact CG1-CE2 3.56Å; V535-F539 WeakPolarHBondContact O-CD2 3.5Å; V535-F539 PolarHBondContact O-N 3.2Å; V535-T583 HydrophobicContact CB-CG2 4.38Å; V535-T583 HydrophobicContact CG2-CG2 3.89Å; V535-F587 HydrophobicContact CG2-CB 4.29Å; V535-F587 HydrophobicContact CG2-CD2 3.65Å; V535-F587 HydrophobicContact CG2-CE2 4.34Å; V535-F587 HydrophobicContact CG2-CG 4.22Å
536G92.7Very high89.4Confident43 Ų4334.9 Ų34.944%0.44319%0.192SC..Hα-helixtrans-64.3-50.5-178.100000113L532 G533 G538 F539 G540L532-G536 PolarHBondContact O-N 2.96Å; G533-G536 PolarHBondContact O-N 2.68Å; G533-G536 VanDerWaalsContact O-N 3.08Å; G536-G538 VanDerWaalsContact C-N 3.34Å; G536-F539 PolarHBondContact O-N 3.14Å; G536-G540 PolarHBondContact O-N 3.36Å; G536-G540 VanDerWaalsContact O-N 3.13Å
537F93.3Very high90Very high17 Ų1736.5 Ų36.58%0.07520%0.199CC..Hα-helixtrans-65.5-38.2175.7-61.8-56.1000111.6G533 F539 G540 V541 C727 E730 I734 W938 F979G533-F537 WeakPolarHBondContact O-CB 3.25Å; G533-F537 WeakPolarHBondContact O-CD2 3.46Å; G533-F537 PolarHBondContact O-N 3.2Å; F537-F539 VanDerWaalsContact C-N 3.31Å; F537-F539 PolarHBondContact O-N 3.3Å; F537-G540 CarbonylContact O-C 3.56Å; F537-G540 VanDerWaalsContact O-CA 3.3Å; F537-G540 WeakPolarHBondContact O-CA 3.45Å; F537-G540 PolarHBondContact O-N 3.47Å; F537-V541 WeakPolarHBondContact O-CG2 3.39Å; F537-V541 PolarHBondContact O-N 3.38Å; F537-C727 HydrophobicContact CD1-CB 4.35Å; F537-E730 HydrophobicContact CB-CB 4.49Å; F537-E730 HydrophobicContact CD1-CB 3.92Å; F537-E730 HydrophobicContact CD1-CG 4.49Å; F537-E730 HydrophobicContact CD2-CB 3.77Å; F537-E730 HydrophobicContact CE1-CB 3.98Å; F537-E730 HydrophobicContact CE1-CG 4.1Å; F537-E730 HydrophobicContact CE2-CB 3.83Å; F537-E730 HydrophobicContact CE2-CG 4.31Å; F537-E730 HydrophobicContact CG-CB 3.82Å; F537-E730 HydrophobicContact CZ-CB 3.93Å; F537-E730 HydrophobicContact CZ-CG 4Å; F537-I734 HydrophobicContact CD2-CD1 3.57Å; F537-I734 HydrophobicContact CE2-CD1 3.66Å; F537-W938 HydrophobicContact CE1-CH2 4.24Å; F537-W938 AromaticContact CE1-CZ2 3.74Å; F537-W938 HydrophobicContact CE1-CZ2 3.74Å; F537-W938 HydrophobicContact CZ-CH2 4.25Å; F537-W938 AromaticContact CZ-CZ2 3.59Å; F537-W938 HydrophobicContact CZ-CZ2 3.59Å; F537-F979 HydrophobicContact CE2-CD1 4.4Å; F537-F979 HydrophobicContact CE2-CD2 4.15Å; F537-F979 HydrophobicContact CE2-CE1 4.28Å; F537-F979 HydrophobicContact CE2-CE2 4.02Å; F537-F979 HydrophobicContact CE2-CG 4.36Å; F537-F979 HydrophobicContact CE2-CZ 4.11Å; F537-F979 HydrophobicContact CZ-CD2 4.2Å; F537-F979 HydrophobicContact CZ-CE2 4.39Å
538G94.8Very high90.4Very high0 Ų036.8 Ų36.80%020%0.2CC..Hα-helixtrans-58.4-39.217400000113.2A534 V535 G536 V541 M542A534-G538 WeakPolarHBondContact O-CA 3.35Å; A534-G538 PolarHBondContact O-N 2.84Å; A534-G538 VanDerWaalsContact O-N 3.09Å; V535-G538 PolarHBondContact O-N 3.46Å; G536-G538 VanDerWaalsContact C-N 3.34Å; G538-V541 PolarHBondContact O-N 2.92Å; G538-M542 WeakPolarHBondContact O-CE 3.43Å; G538-M542 WeakPolarHBondContact O-CG 3.38Å; G538-M542 PolarHBondContact O-N 3.38Å
539F95.2Very high90.7Very high116 Ų11633.9 Ų33.951%0.50918%0.184SC..Hα-helixtrans-64.4-39.6169.2-79.5-62.3000112.5V535 G536 F537 V541 M542 I543V535-F539 HydrophobicContact CG1-CD2 3.83Å; V535-F539 HydrophobicContact CG1-CE2 3.56Å; V535-F539 WeakPolarHBondContact O-CD2 3.5Å; V535-F539 PolarHBondContact O-N 3.2Å; G536-F539 PolarHBondContact O-N 3.14Å; F537-F539 VanDerWaalsContact C-N 3.31Å; F537-F539 PolarHBondContact O-N 3.3Å; F539-V541 VanDerWaalsContact C-N 3.35Å; F539-V541 PolarHBondContact O-N 3.04Å; F539-M542 HydrophobicContact CD1-CE 3.56Å; F539-M542 HydrophobicContact CE1-CE 3.91Å; F539-M542 HydrophobicContact CG-CE 4.15Å; F539-M542 PolarHBondContact O-N 3.42Å; F539-I543 VanDerWaalsContact O-CG1 3.29Å; F539-I543 WeakPolarHBondContact O-CG1 3.36Å; F539-I543 PolarHBondContact O-N 2.98Å
540G93Very high90.7Very high7 Ų730.1 Ų30.17%0.07218%0.175CC..Hα-helixtrans-57.6-43.3172.100000113.2G536 F537 I543 F544G536-G540 PolarHBondContact O-N 3.36Å; G536-G540 VanDerWaalsContact O-N 3.13Å; F537-G540 CarbonylContact O-C 3.56Å; F537-G540 VanDerWaalsContact O-CA 3.3Å; F537-G540 WeakPolarHBondContact O-CA 3.45Å; F537-G540 PolarHBondContact O-N 3.47Å; G540-I543 PolarHBondContact O-N 2.85Å; G540-F544 PolarHBondContact O-N 3.13Å
541V94.2Very high90.5Very high5 Ų532 Ų323%0.0319%0.185CC..Hα-helixtrans-65.4-42.9176-163.40000111.6F537 G538 F539 I543 F544 D545 V579 A728 Y731F537-V541 WeakPolarHBondContact O-CG2 3.39Å; F537-V541 PolarHBondContact O-N 3.38Å; G538-V541 PolarHBondContact O-N 2.92Å; F539-V541 VanDerWaalsContact C-N 3.35Å; F539-V541 PolarHBondContact O-N 3.04Å; V541-I543 VanDerWaalsContact C-N 3.28Å; V541-I543 PolarHBondContact O-N 3.29Å; V541-F544 WeakPolarHBondContact O-CA 3.33Å; V541-F544 WeakPolarHBondContact O-CB 3.38Å; V541-F544 PolarHBondContact O-N 2.99Å; V541-D545 PolarHBondContact O-N 3.08Å; V541-V579 HydrophobicContact CB-CG1 4.21Å; V541-V579 HydrophobicContact CG1-CG2 4.11Å; V541-A728 HydrophobicContact CG1-CB 4.25Å; V541-A728 HydrophobicContact CG2-CB 4.21Å; V541-Y731 HydrophobicContact CG2-CD1 3.93Å; V541-Y731 HydrophobicContact CG2-CG 3.81Å
542M95.1Very high89.9Confident14 Ų1431.8 Ų31.87%0.06919%0.186CC..Hα-helixtrans-64.1-31.3177.1-75.5-175.9-70.600112.8G538 F539 G546 F576 V579 F580G538-M542 WeakPolarHBondContact O-CE 3.43Å; G538-M542 WeakPolarHBondContact O-CG 3.38Å; G538-M542 PolarHBondContact O-N 3.38Å; F539-M542 HydrophobicContact CD1-CE 3.56Å; F539-M542 HydrophobicContact CE1-CE 3.91Å; F539-M542 HydrophobicContact CG-CE 4.15Å; F539-M542 PolarHBondContact O-N 3.42Å; M542-G546 PolarHBondContact O-N 3.09Å; M542-G546 VanDerWaalsContact O-N 3.14Å; M542-F576 HydrophobicContact CB-CD2 3.85Å; M542-F576 HydrophobicContact CB-CE2 3.58Å; M542-F576 HydrophobicContact CB-CZ 4.22Å; M542-F576 HydrophobicContact CG-CD2 3.97Å; M542-F576 HydrophobicContact CG-CE2 3.97Å; M542-F576 HydrophobicContact CG-CG 4.35Å; M542-F576 HydrophobicContact CG-CZ 4.33Å; M542-F576 WeakPolarHBondContact O-CD2 3.41Å; M542-F576 WeakPolarHBondContact O-CE2 3.43Å; M542-F576 HydrophobicContact SD-CE1 4.37Å; M542-F576 HydrophobicContact SD-CE2 4.48Å; M542-F576 HydrophobicContact SD-CZ 4.24Å; M542-V579 HydrophobicContact CG-CB 4.3Å; M542-V579 HydrophobicContact CG-CG1 3.82Å; M542-V579 HydrophobicContact SD-CG1 4.44Å; M542-F580 HydrophobicContact CE-CD2 4.39Å; M542-F580 HydrophobicContact SD-CB 3.71Å; M542-F580 HydrophobicContact SD-CD2 3.85Å; M542-F580 HydrophobicContact SD-CG 4.29Å
543I93Very high89.3Confident90 Ų9034.9 Ų34.946%0.46219%0.191SC..Hα-helixtrans-70.2-40.2170.9-66.2162.8000110.6F539 G540 V541 G546 F547 L724F539-I543 VanDerWaalsContact O-CG1 3.29Å; F539-I543 WeakPolarHBondContact O-CG1 3.36Å; F539-I543 PolarHBondContact O-N 2.98Å; G540-I543 PolarHBondContact O-N 2.85Å; V541-I543 VanDerWaalsContact C-N 3.28Å; V541-I543 PolarHBondContact O-N 3.29Å; I543-G546 WeakPolarHBondContact O-CA 3.23Å; I543-G546 PolarHBondContact O-N 3.3Å; I543-G546 VanDerWaalsContact O-N 3.13Å; I543-F547 HydrophobicContact CG2-CD2 4.23Å; I543-F547 HydrophobicContact CG2-CE2 3.61Å; I543-F547 HydrophobicContact CG2-CZ 4.02Å; I543-F547 PolarHBondContact O-N 2.62Å; I543-L724 HydrophobicContact CB-CD1 4.38Å; I543-L724 HydrophobicContact CG2-CD1 3.8Å
544F91Very high88.4Confident10 Ų1035.4 Ų35.44%0.04419%0.191CC..Hα-helixtrans-64.2-44.8177.9-173.3-126.5000112.8G540 V541 G546 F547 K548 A721 L724 F725 A728G540-F544 PolarHBondContact O-N 3.13Å; V541-F544 WeakPolarHBondContact O-CA 3.33Å; V541-F544 WeakPolarHBondContact O-CB 3.38Å; V541-F544 PolarHBondContact O-N 2.99Å; F544-G546 VanDerWaalsContact C-N 3.26Å; F544-G546 PolarHBondContact O-N 2.9Å; F544-F547 PolarHBondContact O-N 3.38Å; F544-K548 HydrophobicContact CE1-CD 4.46Å; F544-K548 VanDerWaalsContact CZ-CE 3.44Å; F544-K548 PolarHBondContact O-N 3.13Å; F544-K548 VanDerWaalsContact O-N 3.07Å; F544-A721 HydrophobicContact CD2-CB 4.37Å; F544-A721 HydrophobicContact CE2-CB 4.08Å; F544-A721 WeakPolarHBondContact CE2-O 3.41Å; F544-L724 HydrophobicContact CB-CB 4.01Å; F544-L724 HydrophobicContact CB-CD1 4.1Å; F544-L724 HydrophobicContact CD2-CB 3.76Å; F544-L724 HydrophobicContact CD2-CD1 4.37Å; F544-L724 HydrophobicContact CE2-CB 4.49Å; F544-L724 HydrophobicContact CG-CB 4.11Å; F544-F725 HydrophobicContact CE1-CD1 4.32Å; F544-F725 HydrophobicContact CE1-CE1 4.34Å; F544-F725 AromaticContact CZ-CD1 3.78Å; F544-F725 HydrophobicContact CZ-CD1 3.78Å; F544-F725 AromaticContact CZ-CE1 3.6Å; F544-F725 HydrophobicContact CZ-CE1 3.6Å; F544-F725 HydrophobicContact CZ-CE2 4.45Å; F544-F725 HydrophobicContact CZ-CG 4.3Å; F544-F725 AromaticContact CZ-CZ 3.96Å; F544-F725 HydrophobicContact CZ-CZ 3.96Å; F544-A728 HydrophobicContact CD1-CB 4.44Å
545D91.8Very high87.3Confident4 Ų436.8 Ų36.82%0.02120%0.197CC..Hα-helixtrans-60.4-37.9169.6-76.7-50.7000111.5V541 F547 K548 I549 H572 H575 F576V541-D545 PolarHBondContact O-N 3.08Å; D545-F547 VanDerWaalsContact C-N 3.29Å; D545-F547 PolarHBondContact O-N 2.86Å; D545-K548 PolarHBondContact O-N 3.16Å; D545-I549 WeakPolarHBondContact O-CB 3.33Å; D545-I549 WeakPolarHBondContact O-CD1 3.36Å; D545-I549 VanDerWaalsContact O-CG1 3.23Å; D545-I549 WeakPolarHBondContact O-CG1 3.48Å; D545-I549 PolarHBondContact O-N 2.98Å; D545-H572 IonicContact OD1-CE1 3.52Å; D545-H572 IonicContact OD1-CG 3.29Å; D545-H572 IonicContact OD1-ND1 3.3Å; D545-H572 PolarHBondContact OD1-ND1 2.98Å; D545-H575 VanDerWaalsContact CG-ND1 3.31Å; D545-H575 IonicContact OD1-CG 2.7Å; D545-H575 IonicContact OD1-ND1 3.71Å; D545-H575 PolarHBondContact OD1-ND1 2.69Å; D545-H575 VanDerWaalsContact OD1-ND1 3.15Å; D545-H575 IonicContact OD2-CE1 2.83Å; D545-H575 PolarHBondContact OD2-CE1 3.45Å; D545-H575 IonicContact OD2-CG 3.63Å; D545-H575 IonicContact OD2-ND1 3.83Å; D545-H575 PolarHBondContact OD2-ND1 2.88Å; D545-F576 HydrophobicContact CB-CB 4.23Å; D545-F576 HydrophobicContact CB-CD2 4.26Å
546G90.3Very high85.9Confident33 Ų3339.7 Ų39.734%0.3421%0.214SC..Hα-helixtrans-57.2-39174.400000113.3M542 I543 F544 A550M542-G546 PolarHBondContact O-N 3.09Å; M542-G546 VanDerWaalsContact O-N 3.14Å; I543-G546 WeakPolarHBondContact O-CA 3.23Å; I543-G546 PolarHBondContact O-N 3.3Å; I543-G546 VanDerWaalsContact O-N 3.13Å; F544-G546 VanDerWaalsContact C-N 3.26Å; F544-G546 PolarHBondContact O-N 2.9Å; G546-A550 PolarHBondContact O-N 3.14Å
547F87.7Confident84.5Confident39 Ų3939 Ų3917%0.17120%0.204CC..Hα-helixtrans-71.3-43.4172.9-65.8-44.7000112.4I543 F544 D545 I549 A550 E551 V717 L720 L724I543-F547 HydrophobicContact CG2-CD2 4.23Å; I543-F547 HydrophobicContact CG2-CE2 3.61Å; I543-F547 HydrophobicContact CG2-CZ 4.02Å; I543-F547 PolarHBondContact O-N 2.62Å; F544-F547 PolarHBondContact O-N 3.38Å; D545-F547 VanDerWaalsContact C-N 3.29Å; D545-F547 PolarHBondContact O-N 2.86Å; F547-I549 PolarHBondContact O-N 3.5Å; F547-A550 WeakPolarHBondContact O-CA 3.49Å; F547-A550 WeakPolarHBondContact O-CB 3.14Å; F547-A550 PolarHBondContact O-N 2.98Å; F547-E551 PolarHBondContact O-N 3.13Å; F547-E551 VanDerWaalsContact O-N 3.09Å; F547-V717 HydrophobicContact CB-CG1 4.3Å; F547-V717 HydrophobicContact CB-CG2 4.18Å; F547-V717 HydrophobicContact CD1-CG2 3.77Å; F547-V717 HydrophobicContact CG-CG2 4.2Å; F547-L720 HydrophobicContact CE2-CB 4.49Å; F547-L720 HydrophobicContact CE2-CD2 3.8Å; F547-L720 HydrophobicContact CE2-CG 3.98Å; F547-L720 HydrophobicContact CZ-CD2 3.63Å; F547-L720 HydrophobicContact CZ-CG 4.3Å; F547-L724 HydrophobicContact CD2-CD1 3.82Å; F547-L724 HydrophobicContact CE2-CD1 3.68Å
548K86Confident82.9Confident22 Ų2240.7 Ų40.710%0.09621%0.214CC..Hα-helixtrans-64.2-26.7176.8-67.4-169.6173.7-172.20113.9F544 D545 A550 W568 H572 D622F544-K548 HydrophobicContact CE1-CD 4.46Å; F544-K548 VanDerWaalsContact CZ-CE 3.44Å; F544-K548 PolarHBondContact O-N 3.13Å; F544-K548 VanDerWaalsContact O-N 3.07Å; D545-K548 PolarHBondContact O-N 3.16Å; K548-A550 VanDerWaalsContact C-N 3.35Å; K548-W568 PolarHBondContact O-NE1 3.35Å; K548-H572 WeakPolarHBondContact CD-CE1 3.3Å; K548-D622 IonicContact NZ-OD2 3.69Å; K548-D622 PolarHBondContact NZ-OD2 3.36Å
549I87.6Confident81.1Confident30 Ų3044.7 Ų44.715%0.15424%0.242CC..Hα-helixtrans-71.5-30170.6-69.8160.2000111.5D545 F547 W553 I569 H572 L573D545-I549 WeakPolarHBondContact O-CB 3.33Å; D545-I549 WeakPolarHBondContact O-CD1 3.36Å; D545-I549 VanDerWaalsContact O-CG1 3.23Å; D545-I549 WeakPolarHBondContact O-CG1 3.48Å; D545-I549 PolarHBondContact O-N 2.98Å; F547-I549 PolarHBondContact O-N 3.5Å; I549-W553 HydrophobicContact CG2-CZ3 4.28Å; I549-W553 VanDerWaalsContact O-CE3 3.27Å; I549-W553 WeakPolarHBondContact O-CZ3 3.5Å; I549-I569 HydrophobicContact CG2-CG2 4.49Å; I549-H572 HydrophobicContact CD1-CB 4.12Å; I549-H572 HydrophobicContact CG1-CB 3.61Å; I549-L573 HydrophobicContact CD1-CD2 3.74Å; I549-L573 HydrophobicContact CD1-CG 4.04Å
550A83.2Confident79.5Confident30 Ų3043.3 Ų43.325%0.24824%0.243CC..Hα-helixtrans-82.2-28.5-179.900000113.8G546 F547 K548 W553 E554G546-A550 PolarHBondContact O-N 3.14Å; F547-A550 WeakPolarHBondContact O-CA 3.49Å; F547-A550 WeakPolarHBondContact O-CB 3.14Å; F547-A550 PolarHBondContact O-N 2.98Å; K548-A550 VanDerWaalsContact C-N 3.35Å; A550-W553 WeakPolarHBondContact O-CB 3.21Å; A550-W553 PolarHBondContact O-N 3Å; A550-E554 PolarHBondContact O-N 3.26Å
551E78.8Confident77.9Confident43 Ų4348.9 Ų48.920%0.20128%0.275CS..Hα-helixtrans-46.8-47.6-178.2-76.3163.4-179.900114.2F547 W553 E554 E555 V717F547-E551 PolarHBondContact O-N 3.13Å; F547-E551 VanDerWaalsContact O-N 3.09Å; E551-W553 VanDerWaalsContact C-N 3.3Å; E551-W553 PolarHBondContact O-N 3.42Å; E551-E554 VanDerWaalsContact O-CB 3.32Å; E551-E554 WeakPolarHBondContact O-CB 3.29Å; E551-E554 PolarHBondContact O-N 3.03Å; E551-E555 PolarHBondContact O-N 2.99Å; E551-E555 VanDerWaalsContact O-N 3.1Å; E551-V717 HydrophobicContact CG-CG1 4Å
552P77.5Confident76.3Confident17 Ų1750.9 Ų50.911%0.1129%0.29CS..Hα-helixtrans-65.1-27.6178.4-22.935.2000114.6V556 I569P552-V556 VanDerWaalsContact O-CG2 3.32Å; P552-V556 WeakPolarHBondContact O-CG2 3.47Å; P552-V556 PolarHBondContact O-N 2.97Å; P552-I569 HydrophobicContact CB-CD1 4.4Å; P552-I569 HydrophobicContact CG-CD1 4.31Å; P552-I569 HydrophobicContact CG-CG1 4.21Å
553W75.4Confident75.1Confident163 Ų16355.9 Ų55.962%0.61733%0.325SS*.Hα-helixtrans-74-30173.5-86.6-81.9000111.9I549 A550 E551 A557 I569I549-W553 HydrophobicContact CG2-CZ3 4.28Å; I549-W553 VanDerWaalsContact O-CE3 3.27Å; I549-W553 WeakPolarHBondContact O-CZ3 3.5Å; A550-W553 WeakPolarHBondContact O-CB 3.21Å; A550-W553 PolarHBondContact O-N 3Å; E551-W553 VanDerWaalsContact C-N 3.3Å; E551-W553 PolarHBondContact O-N 3.42Å; W553-A557 WeakPolarHBondContact O-CB 3.45Å; W553-A557 PolarHBondContact O-N 3.01Å; W553-A557 VanDerWaalsContact O-N 3.15Å; W553-I569 HydrophobicContact CE3-CD1 4.37Å; W553-I569 HydrophobicContact CH2-CD1 4.04Å; W553-I569 HydrophobicContact CZ3-CD1 3.71Å; W553-I569 HydrophobicContact CZ3-CG1 4.41Å
554E69.5Low74.2Confident19 Ų1954.2 Ų54.29%0.08932%0.315CS..Hα-helixtrans-66.8-46.4172.6-159.7-143.3135.500111.4A550 E551 V556 A557 N558 V710 G714 K718A550-E554 PolarHBondContact O-N 3.26Å; E551-E554 VanDerWaalsContact O-CB 3.32Å; E551-E554 WeakPolarHBondContact O-CB 3.29Å; E551-E554 PolarHBondContact O-N 3.03Å; E554-V556 PolarHBondContact O-N 2.7Å; E554-A557 PolarHBondContact O-N 2.97Å; E554-N558 WeakPolarHBondContact O-CB 3.37Å; E554-N558 PolarHBondContact O-N 2.88Å; E554-N558 PolarHBondContact O-ND2 3.01Å; E554-N558 PolarHBondContact OE1-ND2 3.19Å; E554-V710 HydrophobicContact CG-CG1 4.39Å; E554-G714 WeakPolarHBondContact OE2-CA 3.39Å; E554-K718 IonicContact OE1-NZ 2.81Å; E554-K718 PolarHBondContact OE1-NZ 3.24Å; E554-K718 IonicContact OE2-NZ 3.68Å; E554-K718 PolarHBondContact OE2-NZ 3.11Å
555E69.1Low73.6Confident32 Ų3256.3 Ų56.315%0.1534%0.339CS..Hα-helixtrans-57.2-49.2177.7-67.7-179.3137.200112E551 A557 N558 S559 V560 S562 H564E551-E555 PolarHBondContact O-N 2.99Å; E551-E555 VanDerWaalsContact O-N 3.1Å; E555-A557 VanDerWaalsContact C-N 3.33Å; E555-A557 PolarHBondContact O-N 3.38Å; E555-N558 CarbonylContact O-C 3.56Å; E555-N558 PolarHBondContact O-N 2.8Å; E555-S559 PolarHBondContact O-N 2.9Å; E555-V560 HydrophobicContact CB-CB 4.44Å; E555-V560 PolarHBondContact O-N 2.94Å; E555-S562 WeakPolarHBondContact CB-OG 3Å; E555-S562 VanDerWaalsContact OE2-CA 3.26Å; E555-S562 WeakPolarHBondContact OE2-CA 3.18Å; E555-S562 WeakPolarHBondContact OE2-CB 3.05Å; E555-S562 PolarHBondContact OE2-OG 3.19Å; E555-H564 IonicContact OE1-CE1 3.9Å; E555-H564 PolarHBondContact OE1-CE1 3.48Å; E555-H564 IonicContact OE1-ND1 2.84Å; E555-H564 PolarHBondContact OE1-ND1 3.17Å; E555-H564 VanDerWaalsContact OE1-ND1 3.11Å; E555-H564 IonicContact OE2-CE1 3.77Å; E555-H564 IonicContact OE2-CG 2.67Å; E555-H564 IonicContact OE2-ND1 3.81Å; E555-H564 PolarHBondContact OE2-ND1 3.27Å
556V65.6Low73.1Confident99 Ų9965.4 Ų65.460%0.638%0.381SS*.Hα-helixtrans-62-38.8178.7169.60000111.8P552 E554 S559P552-V556 VanDerWaalsContact O-CG2 3.32Å; P552-V556 WeakPolarHBondContact O-CG2 3.47Å; P552-V556 PolarHBondContact O-N 2.97Å; E554-V556 PolarHBondContact O-N 2.7Å; V556-S559 PolarHBondContact O-N 3Å
557A62Low72.9Confident28 Ų2870.3 Ų70.323%0.23140%0.399CS..Hα-helixtrans-68.4-38.5176.200000112.5W553 E554 E555 S559 R684 V710W553-A557 WeakPolarHBondContact O-CB 3.45Å; W553-A557 PolarHBondContact O-N 3.01Å; W553-A557 VanDerWaalsContact O-N 3.15Å; E554-A557 PolarHBondContact O-N 2.97Å; E555-A557 VanDerWaalsContact C-N 3.33Å; E555-A557 PolarHBondContact O-N 3.38Å; A557-S559 VanDerWaalsContact C-N 3.27Å; A557-S559 PolarHBondContact O-N 2.64Å; A557-R684 PolarHBondContact O-NH2 2.84Å; A557-V710 HydrophobicContact CB-CB 4.2Å; A557-V710 HydrophobicContact CB-CG1 3.43Å; A557-V710 VanDerWaalsContact CB-CG1 3.43Å; A557-V710 HydrophobicContact CB-CG2 4.49Å
558N60.2Low72.9Confident54 Ų5471.8 Ų71.829%0.28940%0.403SS..THydrogen-bonded Turntrans-81.20.6178.8-72-28.6000113.9E554 E555 V560E554-N558 WeakPolarHBondContact O-CB 3.37Å; E554-N558 PolarHBondContact O-N 2.88Å; E554-N558 PolarHBondContact O-ND2 3.01Å; E554-N558 PolarHBondContact OE1-ND2 3.19Å; E555-N558 CarbonylContact O-C 3.56Å; E555-N558 PolarHBondContact O-N 2.8Å; N558-V560 HydrophobicContact CB-CG2 4.02Å; N558-V560 PolarHBondContact O-N 2.79Å
559S57.7Low73.1Confident84 Ų8473.1 Ų73.159%0.58741%0.411SS*.THydrogen-bonded Turntrans57.626-174.9630000114.9E555 V556 A557E555-S559 PolarHBondContact O-N 2.9Å; V556-S559 PolarHBondContact O-N 3Å; A557-S559 VanDerWaalsContact C-N 3.27Å; A557-S559 PolarHBondContact O-N 2.64Å
560V62.2Low73.3Confident86 Ų8675 Ų7552%0.52143%0.426SS..  trans-79.7144172.2-179.20000108.7E555 N558 S562E555-V560 HydrophobicContact CB-CB 4.44Å; E555-V560 PolarHBondContact O-N 2.94Å; N558-V560 HydrophobicContact CB-CG2 4.02Å; N558-V560 PolarHBondContact O-N 2.79Å; V560-S562 PolarHBondContact O-N 2.92Å; V560-S562 VanDerWaalsContact O-N 3.16Å
561V58.7Low73.7Confident124 Ų12478.6 Ų78.675%0.75244%0.44SS*.  trans-69.1110.9172.9178.50000108.3C563V561-C563 PolarHBondContact O-N 2.94Å; V561-C563 VanDerWaalsContact O-N 3.11Å
562S60.1Low74.3Confident47 Ų4777.3 Ų77.333%0.32943%0.434SS..  trans-60.1114.1175.8-73.60000111.5E555 V560 H564E555-S562 WeakPolarHBondContact CB-OG 3Å; E555-S562 VanDerWaalsContact OE2-CA 3.26Å; E555-S562 WeakPolarHBondContact OE2-CA 3.18Å; E555-S562 WeakPolarHBondContact OE2-CB 3.05Å; E555-S562 PolarHBondContact OE2-OG 3.19Å; V560-S562 PolarHBondContact O-N 2.92Å; V560-S562 VanDerWaalsContact O-N 3.16Å; S562-H564 PolarHBondContact O-N 2.86Å
563C70.2Confident75.1Confident119 Ų11980.6 Ų80.680%0.80445%0.45SS*.  trans-78.1-5.4173.1-690000112.6V561V561-C563 PolarHBondContact O-N 2.94Å; V561-C563 VanDerWaalsContact O-N 3.11Å
564H74.5Confident76Confident56 Ų5678.7 Ų78.726%0.25945%0.451SS..  trans-79.5122.2-176-61.8101.2000112.6E555 S562 W568E555-H564 IonicContact OE1-CE1 3.9Å; E555-H564 PolarHBondContact OE1-CE1 3.48Å; E555-H564 IonicContact OE1-ND1 2.84Å; E555-H564 PolarHBondContact OE1-ND1 3.17Å; E555-H564 VanDerWaalsContact OE1-ND1 3.11Å; E555-H564 IonicContact OE2-CE1 3.77Å; E555-H564 IonicContact OE2-CG 2.67Å; E555-H564 IonicContact OE2-ND1 3.81Å; E555-H564 PolarHBondContact OE2-ND1 3.27Å; S562-H564 PolarHBondContact O-N 2.86Å; H564-W568 HydrophobicContact CB-CB 4.2Å; H564-W568 HydrophobicContact CB-CD2 4.47Å; H564-W568 HydrophobicContact CB-CG 4.19Å; H564-W568 AromaticContact CD2-CD2 3.5Å; H564-W568 AromaticContact CD2-CE2 3.57Å; H564-W568 AromaticContact CD2-CE3 3.66Å; H564-W568 AromaticContact CD2-CH2 3.89Å; H564-W568 AromaticContact CD2-CZ2 3.77Å; H564-W568 AromaticContact CD2-CZ3 3.85Å; H564-W568 AromaticContact NE2-CH2 3.96Å; H564-W568 AromaticContact NE2-CZ2 3.8Å
565G78.5Confident77.2Confident54 Ų5479.2 Ų79.256%0.55745%0.454SS*.  trans-67.9154.917400000112.8L567 W568G565-L567 PolarHBondContact O-N 3.24Å; G565-W568 WeakPolarHBondContact O-CB 3.47Å; G565-W568 PolarHBondContact O-N 3.03Å
566H81.6Confident78.5Confident194 Ų19481.3 Ų81.390%0.89846%0.462SS*.THydrogen-bonded Turntrans-54.9-17-174.1-55.6-53.2000116
567L86.1Confident80Confident136 Ų13680.8 Ų80.871%0.71246%0.459SS*.THydrogen-bonded Turntrans-86.7-5.9177.8-64177.2000114.4G565 P570 L571G565-L567 PolarHBondContact O-N 3.24Å; L567-P570 WeakPolarHBondContact O-CD 3.45Å; L567-L571 VanDerWaalsContact O-CB 3.23Å; L567-L571 WeakPolarHBondContact O-CB 3.39Å; L567-L571 PolarHBondContact O-N 2.94Å
568W87.3Confident81.6Confident70 Ų7083 Ų8327%0.26546%0.462SS..Hα-helixtrans-57.5-55.3-176.3-175-95.2000113.5K548 H564 G565 L571 H572K548-W568 PolarHBondContact O-NE1 3.35Å; H564-W568 HydrophobicContact CB-CB 4.2Å; H564-W568 HydrophobicContact CB-CD2 4.47Å; H564-W568 HydrophobicContact CB-CG 4.19Å; H564-W568 AromaticContact CD2-CD2 3.5Å; H564-W568 AromaticContact CD2-CE2 3.57Å; H564-W568 AromaticContact CD2-CE3 3.66Å; H564-W568 AromaticContact CD2-CH2 3.89Å; H564-W568 AromaticContact CD2-CZ2 3.77Å; H564-W568 AromaticContact CD2-CZ3 3.85Å; H564-W568 AromaticContact NE2-CH2 3.96Å; H564-W568 AromaticContact NE2-CZ2 3.8Å; G565-W568 WeakPolarHBondContact O-CB 3.47Å; G565-W568 PolarHBondContact O-N 3.03Å; W568-L571 WeakPolarHBondContact O-CB 3.41Å; W568-L571 PolarHBondContact O-N 2.88Å; W568-H572 AromaticContact CE2-CD2 3.88Å; W568-H572 AromaticContact CE2-NE2 3.95Å; W568-H572 AromaticContact CZ2-NE2 3.93Å; W568-H572 AromaticContact NE1-CD2 3.93Å; W568-H572 PolarHBondContact O-CD2 2.74Å; W568-H572 PolarHBondContact O-N 3.22Å; W568-H572 VanDerWaalsContact O-N 3.1Å
569I89.1Confident83.3Confident50 Ų5080.5 Ų80.526%0.25645%0.449SS..Hα-helixtrans-64.2-47-179.9-63.3165.4000111.2I549 P552 W553 L571 H572 L573I549-I569 HydrophobicContact CG2-CG2 4.49Å; P552-I569 HydrophobicContact CB-CD1 4.4Å; P552-I569 HydrophobicContact CG-CD1 4.31Å; P552-I569 HydrophobicContact CG-CG1 4.21Å; W553-I569 HydrophobicContact CE3-CD1 4.37Å; W553-I569 HydrophobicContact CH2-CD1 4.04Å; W553-I569 HydrophobicContact CZ3-CD1 3.71Å; W553-I569 HydrophobicContact CZ3-CG1 4.41Å; I569-L571 VanDerWaalsContact C-N 3.31Å; I569-L571 PolarHBondContact O-N 3.43Å; I569-H572 PolarHBondContact O-N 2.67Å; I569-L573 HydrophobicContact CG2-CD1 3.75Å; I569-L573 HydrophobicContact CG2-CG 4.32Å; I569-L573 WeakPolarHBondContact O-CB 3.3Å; I569-L573 WeakPolarHBondContact O-CG 3.2Å; I569-L573 PolarHBondContact O-N 3.21Å
570P92.1Very high85.2Confident71 Ų7182 Ų8246%0.46145%0.445SS..Hα-helixtrans-54.7-39.6170.8-29.335.2000114.8L567 L574L567-P570 WeakPolarHBondContact O-CD 3.45Å; P570-L574 VanDerWaalsContact O-CB 3.29Å; P570-L574 WeakPolarHBondContact O-CB 3.39Å; P570-L574 PolarHBondContact O-N 3.31Å
571L91.4Very high86.8Confident104 Ų10486.5 Ų86.555%0.54545%0.452SS..Hα-helixtrans-65.6-47.6-179.3-178.766.1000111.6L567 W568 I569 L574 H575L567-L571 VanDerWaalsContact O-CB 3.23Å; L567-L571 WeakPolarHBondContact O-CB 3.39Å; L567-L571 PolarHBondContact O-N 2.94Å; W568-L571 WeakPolarHBondContact O-CB 3.41Å; W568-L571 PolarHBondContact O-N 2.88Å; I569-L571 VanDerWaalsContact C-N 3.31Å; I569-L571 PolarHBondContact O-N 3.43Å; L571-L574 PolarHBondContact O-N 3.12Å; L571-H575 WeakPolarHBondContact O-CB 3.4Å; L571-H575 PolarHBondContact O-N 3.47Å
572H92.5Very high88.6Confident16 Ų1681 Ų817%0.07442%0.418CS..Hα-helixtrans-71.7-34.2178.7-77.7-69.5000113.1D545 K548 I549 W568 I569 H575 F576D545-H572 IonicContact OD1-CE1 3.52Å; D545-H572 IonicContact OD1-CG 3.29Å; D545-H572 IonicContact OD1-ND1 3.3Å; D545-H572 PolarHBondContact OD1-ND1 2.98Å; K548-H572 WeakPolarHBondContact CD-CE1 3.3Å; I549-H572 HydrophobicContact CD1-CB 4.12Å; I549-H572 HydrophobicContact CG1-CB 3.61Å; W568-H572 AromaticContact CE2-CD2 3.88Å; W568-H572 AromaticContact CE2-NE2 3.95Å; W568-H572 AromaticContact CZ2-NE2 3.93Å; W568-H572 AromaticContact NE1-CD2 3.93Å; W568-H572 PolarHBondContact O-CD2 2.74Å; W568-H572 PolarHBondContact O-N 3.22Å; W568-H572 VanDerWaalsContact O-N 3.1Å; I569-H572 PolarHBondContact O-N 2.67Å; H572-H575 PolarHBondContact O-N 3.46Å; H572-F576 WeakPolarHBondContact O-CB 3.36Å; H572-F576 PolarHBondContact O-N 3.49Å
573L93.7Very high90.2Very high87 Ų8779.3 Ų79.346%0.45541%0.406SS..Hα-helixtrans-63.4-40.4170.5-73.5170.7000112.1I549 I569 V577I549-L573 HydrophobicContact CD1-CD2 3.74Å; I549-L573 HydrophobicContact CD1-CG 4.04Å; I569-L573 HydrophobicContact CG2-CD1 3.75Å; I569-L573 HydrophobicContact CG2-CG 4.32Å; I569-L573 WeakPolarHBondContact O-CB 3.3Å; I569-L573 WeakPolarHBondContact O-CG 3.2Å; I569-L573 PolarHBondContact O-N 3.21Å; L573-V577 WeakPolarHBondContact O-CG2 3.32Å; L573-V577 PolarHBondContact O-N 3.41Å; L573-V577 VanDerWaalsContact O-N 3.13Å
574L94.9Very high91.4Very high122 Ų12279.2 Ų79.264%0.63939%0.39SS*.Hα-helixtrans-66.4-42175.5-177.862.8000111.6P570 L571 V577 Y578P570-L574 VanDerWaalsContact O-CB 3.29Å; P570-L574 WeakPolarHBondContact O-CB 3.39Å; P570-L574 PolarHBondContact O-N 3.31Å; L571-L574 PolarHBondContact O-N 3.12Å; L574-V577 PolarHBondContact O-N 2.88Å; L574-Y578 WeakPolarHBondContact O-CB 3.21Å; L574-Y578 PolarHBondContact O-N 3.24Å
575H94.9Very high92.3Very high31 Ų3179 Ų7914%0.14439%0.388CS..Hα-helixtrans-64.9-43.5177.1-175-104.9000112.1D545 L571 H572 V577 Y578 V579 Q615D545-H575 VanDerWaalsContact CG-ND1 3.31Å; D545-H575 IonicContact OD1-CG 2.7Å; D545-H575 IonicContact OD1-ND1 3.71Å; D545-H575 PolarHBondContact OD1-ND1 2.69Å; D545-H575 VanDerWaalsContact OD1-ND1 3.15Å; D545-H575 IonicContact OD2-CE1 2.83Å; D545-H575 PolarHBondContact OD2-CE1 3.45Å; D545-H575 IonicContact OD2-CG 3.63Å; D545-H575 IonicContact OD2-ND1 3.83Å; D545-H575 PolarHBondContact OD2-ND1 2.88Å; L571-H575 WeakPolarHBondContact O-CB 3.4Å; L571-H575 PolarHBondContact O-N 3.47Å; H572-H575 PolarHBondContact O-N 3.46Å; H575-V577 PolarHBondContact O-N 3.22Å; H575-Y578 WeakPolarHBondContact O-CB 3.44Å; H575-Y578 PolarHBondContact O-N 3.25Å; H575-V579 WeakPolarHBondContact O-CG2 3.27Å; H575-V579 PolarHBondContact O-N 3.08Å; H575-Q615 PolarHBondContact CE1-NE2 2.88Å; H575-Q615 VanDerWaalsContact CE1-NE2 3.32Å; H575-Q615 PolarHBondContact NE2-NE2 3.24Å
576F96Very high92.9Very high76 Ų7676.4 Ų76.433%0.33336%0.362SS..Hα-helixtrans-55.4-47.8173.1-178.4-77.1000111.8M542 D545 H572 V579 F580M542-F576 HydrophobicContact CB-CD2 3.85Å; M542-F576 HydrophobicContact CB-CE2 3.58Å; M542-F576 HydrophobicContact CB-CZ 4.22Å; M542-F576 HydrophobicContact CG-CD2 3.97Å; M542-F576 HydrophobicContact CG-CE2 3.97Å; M542-F576 HydrophobicContact CG-CG 4.35Å; M542-F576 HydrophobicContact CG-CZ 4.33Å; M542-F576 WeakPolarHBondContact O-CD2 3.41Å; M542-F576 WeakPolarHBondContact O-CE2 3.43Å; M542-F576 HydrophobicContact SD-CE1 4.37Å; M542-F576 HydrophobicContact SD-CE2 4.48Å; M542-F576 HydrophobicContact SD-CZ 4.24Å; D545-F576 HydrophobicContact CB-CB 4.23Å; D545-F576 HydrophobicContact CB-CD2 4.26Å; H572-F576 WeakPolarHBondContact O-CB 3.36Å; H572-F576 PolarHBondContact O-N 3.49Å; F576-V579 PolarHBondContact O-N 3.07Å; F576-F580 WeakPolarHBondContact O-CB 3.17Å; F576-F580 PolarHBondContact O-N 3.11Å
577V96.3Very high93.2Very high88 Ų8871.8 Ų71.853%0.53334%0.339SS..Hα-helixtrans-66.1-38.8178.5171.40000111.6L573 L574 H575 F580 W581L573-V577 WeakPolarHBondContact O-CG2 3.32Å; L573-V577 PolarHBondContact O-N 3.41Å; L573-V577 VanDerWaalsContact O-N 3.13Å; L574-V577 PolarHBondContact O-N 2.88Å; H575-V577 PolarHBondContact O-N 3.22Å; V577-F580 PolarHBondContact O-N 3.35Å; V577-W581 WeakPolarHBondContact O-CB 3.45Å; V577-W581 PolarHBondContact O-N 2.97Å
578Y96.3Very high93.3Very high75 Ų7570 Ų7029%0.29433%0.326SS..Hα-helixtrans-60.4-51.7173.8168.6-99.4000111.6L574 H575 F580 W581 Q582 L608 N612L574-Y578 WeakPolarHBondContact O-CB 3.21Å; L574-Y578 PolarHBondContact O-N 3.24Å; H575-Y578 WeakPolarHBondContact O-CB 3.44Å; H575-Y578 PolarHBondContact O-N 3.25Å; Y578-F580 PolarHBondContact O-N 3.17Å; Y578-W581 PolarHBondContact O-N 2.85Å; Y578-Q582 WeakPolarHBondContact O-CB 3.42Å; Y578-Q582 PolarHBondContact O-N 3.21Å; Y578-Q582 PolarHBondContact OH-OE1 3.39Å; Y578-L608 HydrophobicContact CE2-CD2 4.36Å; Y578-N612 PolarHBondContact OH-ND2 2.86Å
579V96Very high93.3Very high1 Ų169.4 Ų69.41%0.00633%0.326CS..Hα-helixtrans-59.6-44.3177.1170.70000111.2V541 M542 H575 F576 T583 Y731V541-V579 HydrophobicContact CB-CG1 4.21Å; V541-V579 HydrophobicContact CG1-CG2 4.11Å; M542-V579 HydrophobicContact CG-CB 4.3Å; M542-V579 HydrophobicContact CG-CG1 3.82Å; M542-V579 HydrophobicContact SD-CG1 4.44Å; H575-V579 WeakPolarHBondContact O-CG2 3.27Å; H575-V579 PolarHBondContact O-N 3.08Å; F576-V579 PolarHBondContact O-N 3.07Å; V579-T583 VanDerWaalsContact O-CB 3.26Å; V579-T583 WeakPolarHBondContact O-CB 3.45Å; V579-T583 PolarHBondContact O-N 2.94Å; V579-T583 PolarHBondContact O-OG1 2.71Å; V579-Y731 HydrophobicContact CB-CE1 4.45Å; V579-Y731 HydrophobicContact CG1-CE1 3.92Å; V579-Y731 HydrophobicContact CG1-CE2 4.5Å; V579-Y731 HydrophobicContact CG2-CE1 4.11Å; V579-Y731 PolarHBondContact O-OH 3.27Å
580F96.4Very high93Very high114 Ų11468.3 Ų68.350%0.532%0.32SS..Hα-helixtrans-59.1-50.5177.2-178.3-95.3000111.9M542 F576 V577 Y578 T583 Y584M542-F580 HydrophobicContact CE-CD2 4.39Å; M542-F580 HydrophobicContact SD-CB 3.71Å; M542-F580 HydrophobicContact SD-CD2 3.85Å; M542-F580 HydrophobicContact SD-CG 4.29Å; F576-F580 WeakPolarHBondContact O-CB 3.17Å; F576-F580 PolarHBondContact O-N 3.11Å; V577-F580 PolarHBondContact O-N 3.35Å; Y578-F580 PolarHBondContact O-N 3.17Å; F580-T583 PolarHBondContact O-N 3.25Å; F580-Y584 WeakPolarHBondContact O-CB 3.3Å; F580-Y584 PolarHBondContact O-N 3.47Å
581W95.9Very high92.3Very high181 Ų18169.2 Ų69.269%0.68631%0.314SS*.Hα-helixtrans-68.1-40.9-178.2-169.2-88.9000112.4V577 Y578 Y584 F585V577-W581 WeakPolarHBondContact O-CB 3.45Å; V577-W581 PolarHBondContact O-N 2.97Å; Y578-W581 PolarHBondContact O-N 2.85Å; W581-Y584 PolarHBondContact O-N 3.43Å; W581-F585 WeakPolarHBondContact O-CB 3.34Å; W581-F585 PolarHBondContact O-N 3.26Å
582Q96Very high91.6Very high8 Ų865.1 Ų65.14%0.03729%0.293CS..Hα-helixtrans-59.7-49174.2178.7170.6-9100111Y578 Y584 F585 L586 N612 Y731 F739Y578-Q582 WeakPolarHBondContact O-CB 3.42Å; Y578-Q582 PolarHBondContact O-N 3.21Å; Y578-Q582 PolarHBondContact OH-OE1 3.39Å; Q582-Y584 VanDerWaalsContact C-N 3.34Å; Q582-Y584 PolarHBondContact O-N 2.75Å; Q582-F585 PolarHBondContact O-N 3.19Å; Q582-L586 HydrophobicContact CG-CD1 3.84Å; Q582-L586 HydrophobicContact CG-CG 4.31Å; Q582-L586 WeakPolarHBondContact O-CB 3.22Å; Q582-L586 VanDerWaalsContact O-CG 3.27Å; Q582-L586 WeakPolarHBondContact O-CG 3.21Å; Q582-L586 PolarHBondContact O-N 3.12Å; Q582-N612 PolarHBondContact NE2-OD1 3.35Å; Q582-N612 PolarHBondContact OE1-ND2 2.92Å; Q582-N612 PolarHBondContact OE1-OD1 3.35Å; Q582-Y731 WeakPolarHBondContact CG-OH 3.11Å; Q582-Y731 PolarHBondContact NE2-OH 3.13Å; Q582-F739 HydrophobicContact CG-CE2 3.76Å; Q582-F739 HydrophobicContact CG-CZ 3.95Å
583T95Very high90.8Very high12 Ų1264.5 Ų64.57%0.07429%0.291CS..Hα-helixtrans-60.3-43178.2-55.30000111.7V535 V579 F580 F587 Y731V535-T583 HydrophobicContact CB-CG2 4.38Å; V535-T583 HydrophobicContact CG2-CG2 3.89Å; V579-T583 VanDerWaalsContact O-CB 3.26Å; V579-T583 WeakPolarHBondContact O-CB 3.45Å; V579-T583 PolarHBondContact O-N 2.94Å; V579-T583 PolarHBondContact O-OG1 2.71Å; F580-T583 PolarHBondContact O-N 3.25Å; T583-F587 WeakPolarHBondContact O-CB 3.49Å; T583-F587 PolarHBondContact O-N 3.1Å; T583-Y731 PolarHBondContact N-OH 2.88Å; T583-Y731 VanDerWaalsContact OG1-CE2 3.27Å; T583-Y731 WeakPolarHBondContact OG1-CE2 3.49Å; T583-Y731 PolarHBondContact OG1-OH 3.5Å
584Y94.1Very high89.9Confident117 Ų11762 Ų6246%0.45928%0.276SS..Hα-helixtrans-60.9-44.9174.5177.7-94.7000112.4F580 W581 Q582 K588F580-Y584 WeakPolarHBondContact O-CB 3.3Å; F580-Y584 PolarHBondContact O-N 3.47Å; W581-Y584 PolarHBondContact O-N 3.43Å; Q582-Y584 VanDerWaalsContact C-N 3.34Å; Q582-Y584 PolarHBondContact O-N 2.75Å; Y584-K588 HydrophobicContact CD1-CD 4.48Å; Y584-K588 HydrophobicContact CE1-CD 3.65Å; Y584-K588 HydrophobicContact CE2-CD 4.2Å; Y584-K588 VanDerWaalsContact CZ-CD 3.49Å; Y584-K588 VanDerWaalsContact O-CB 3.23Å; Y584-K588 WeakPolarHBondContact O-CB 3.33Å; Y584-K588 PolarHBondContact O-N 2.6Å; Y584-K588 VanDerWaalsContact O-N 3.12Å; Y584-K588 WeakPolarHBondContact OH-CD 3.38Å; Y584-K588 WeakPolarHBondContact OH-CE 3.39Å; Y584-K588 PolarHBondContact OH-NZ 3.33Å
585F93.5Very high88.9Confident51 Ų5156.7 Ų56.722%0.22425%0.248CC..Hα-helixtrans-61.2-53.7177.1-179.3-91.3000111.3W581 Q582 F587 K588 H589 F594 F739 M742W581-F585 WeakPolarHBondContact O-CB 3.34Å; W581-F585 PolarHBondContact O-N 3.26Å; Q582-F585 PolarHBondContact O-N 3.19Å; F585-F587 VanDerWaalsContact C-N 3.35Å; F585-F587 PolarHBondContact O-N 3.44Å; F585-K588 PolarHBondContact O-N 3.24Å; F585-H589 HydrophobicContact CD2-CB 4.27Å; F585-H589 HydrophobicContact CE2-CB 4.1Å; F585-H589 HydrophobicContact CZ-CB 4.26Å; F585-H589 WeakPolarHBondContact O-CB 3.36Å; F585-H589 PolarHBondContact O-N 2.86Å; F585-F594 HydrophobicContact CZ-CZ 4.43Å; F585-F739 AromaticContact CD1-CE1 3.84Å; F585-F739 HydrophobicContact CD1-CE1 3.84Å; F585-F739 HydrophobicContact CD1-CZ 4.21Å; F585-F739 AromaticContact CE1-CE1 3.78Å; F585-F739 HydrophobicContact CE1-CE1 3.78Å; F585-M742 HydrophobicContact CE1-CE 3.74Å; F585-M742 HydrophobicContact CE1-SD 4.08Å; F585-M742 HydrophobicContact CZ-CE 3.92Å
586L91.4Very high88Confident1 Ų158.3 Ų58.31%0.00526%0.26CS..Hα-helixtrans-57.2-44.6-179.6-68.3172.7000111.8Q582 H590 A735 I738 F739Q582-L586 HydrophobicContact CG-CD1 3.84Å; Q582-L586 HydrophobicContact CG-CG 4.31Å; Q582-L586 WeakPolarHBondContact O-CB 3.22Å; Q582-L586 VanDerWaalsContact O-CG 3.27Å; Q582-L586 WeakPolarHBondContact O-CG 3.21Å; Q582-L586 PolarHBondContact O-N 3.12Å; L586-H590 WeakPolarHBondContact O-CB 3.47Å; L586-A735 HydrophobicContact CD1-CB 3.8Å; L586-I738 HydrophobicContact CD2-CB 3.86Å; L586-I738 HydrophobicContact CD2-CG2 3.5Å; L586-F739 HydrophobicContact CD1-CE2 4.24Å; L586-F739 HydrophobicContact CD2-CD1 4.32Å; L586-F739 HydrophobicContact CD2-CD2 4.21Å; L586-F739 HydrophobicContact CD2-CE1 3.97Å; L586-F739 HydrophobicContact CD2-CE2 3.84Å; L586-F739 HydrophobicContact CD2-CG 4.43Å; L586-F739 HydrophobicContact CD2-CZ 3.72Å; L586-F739 HydrophobicContact CG-CE2 4.24Å; L586-F739 HydrophobicContact CG-CZ 4.09Å
587F89.2Confident87.2Confident97 Ų9761.3 Ų61.343%0.42528%0.275SS..Hα-helixtrans-65.6-45.5179.5-173.1-96.7000112.5R531 V535 T583 F585 H590R531-F587 HydrophobicContact CB-CD2 4.25Å; V535-F587 HydrophobicContact CG2-CB 4.29Å; V535-F587 HydrophobicContact CG2-CD2 3.65Å; V535-F587 HydrophobicContact CG2-CE2 4.34Å; V535-F587 HydrophobicContact CG2-CG 4.22Å; T583-F587 WeakPolarHBondContact O-CB 3.49Å; T583-F587 PolarHBondContact O-N 3.1Å; F585-F587 VanDerWaalsContact C-N 3.35Å; F585-F587 PolarHBondContact O-N 3.44Å; F587-H590 PolarHBondContact O-ND1 3.19Å
588K88.1Confident86.4Confident99 Ų9960.9 Ų60.943%0.4327%0.266SS..Hα-helixtrans-85.8-35.6-169.9-179.7-176.3167.2-155.90114.2Y584 F585Y584-K588 HydrophobicContact CD1-CD 4.48Å; Y584-K588 HydrophobicContact CE1-CD 3.65Å; Y584-K588 HydrophobicContact CE2-CD 4.2Å; Y584-K588 VanDerWaalsContact CZ-CD 3.49Å; Y584-K588 VanDerWaalsContact O-CB 3.23Å; Y584-K588 WeakPolarHBondContact O-CB 3.33Å; Y584-K588 PolarHBondContact O-N 2.6Å; Y584-K588 VanDerWaalsContact O-N 3.12Å; Y584-K588 WeakPolarHBondContact OH-CD 3.38Å; Y584-K588 WeakPolarHBondContact OH-CE 3.39Å; Y584-K588 PolarHBondContact OH-NZ 3.33Å; F585-K588 PolarHBondContact O-N 3.24Å
589H86.6Confident85.6Confident56 Ų5663.7 Ų63.726%0.25928%0.28SS..Hα-helixtrans-104.86.1-169.2-69.4-92.7000114.7F585 R591 V592F585-H589 HydrophobicContact CD2-CB 4.27Å; F585-H589 HydrophobicContact CE2-CB 4.1Å; F585-H589 HydrophobicContact CZ-CB 4.26Å; F585-H589 WeakPolarHBondContact O-CB 3.36Å; F585-H589 PolarHBondContact O-N 2.86Å; H589-R591 PolarHBondContact O-N 2.87Å; H589-V592 HydrophobicContact CB-CG2 4.19Å; H589-V592 WeakPolarHBondContact O-CB 3.45Å; H589-V592 WeakPolarHBondContact O-CG2 3.4Å; H589-V592 PolarHBondContact O-N 3.07Å
590H82.6Confident85.1Confident28 Ų2867.1 Ų67.113%0.1330%0.301CS..THydrogen-bonded Turntrans-523.5179.374.2-88000119.8V526 R531 L586 F587V526-H590 HydrophobicContact CB-CB 3.94Å; V526-H590 HydrophobicContact CG2-CB 3.86Å; R531-H590 VanDerWaalsContact CD-CG 3.44Å; R531-H590 VanDerWaalsContact CZ-CE1 3.45Å; R531-H590 PolarHBondContact NE-CD2 3.28Å; R531-H590 PolarHBondContact NH1-CE1 3.36Å; R531-H590 PolarHBondContact NH2-NE2 2.83Å; L586-H590 WeakPolarHBondContact O-CB 3.47Å; F587-H590 PolarHBondContact O-ND1 3.19Å
591R76.9Confident84.6Confident90 Ų9062.9 Ų62.934%0.3428%0.283SS..THydrogen-bonded Turntrans-128.80.6176.1-52.8-169.2177.4-139.6-6.3113.4R521 D522 T523 H589 V593R521-R591 VanDerWaalsContact CA-O 3.29Å; R521-R591 WeakPolarHBondContact CA-O 3.42Å; D522-R591 PolarHBondContact N-O 2.89Å; T523-R591 PolarHBondContact O-NH1 3.36Å; H589-R591 PolarHBondContact O-N 2.87Å; R591-V593 PolarHBondContact O-N 3.1Å
592V77.7Confident84.1Confident17 Ų1758.9 Ų58.910%0.10327%0.268CS..EExtended strand (participates in β ladder)trans-80.4109.2-175.51800000107.7F519 H589 F594F519-V592 HydrophobicContact CB-CG1 4.47Å; F519-V592 HydrophobicContact CD1-CG1 3.61Å; F519-V592 HydrophobicContact CE1-CG1 4.34Å; F519-V592 HydrophobicContact CG-CG1 4.44Å; H589-V592 HydrophobicContact CB-CG2 4.19Å; H589-V592 WeakPolarHBondContact O-CB 3.45Å; H589-V592 WeakPolarHBondContact O-CG2 3.4Å; H589-V592 PolarHBondContact O-N 3.07Å; V592-F594 HydrophobicContact CB-CE2 4.06Å; V592-F594 HydrophobicContact CB-CZ 4.35Å; V592-F594 HydrophobicContact CG1-CD1 4.27Å; V592-F594 HydrophobicContact CG1-CD2 3.91Å; V592-F594 HydrophobicContact CG1-CE1 4.06Å; V592-F594 HydrophobicContact CG1-CE2 3.68Å; V592-F594 HydrophobicContact CG1-CG 4.21Å; V592-F594 HydrophobicContact CG1-CZ 3.76Å; V592-F594 VanDerWaalsContact O-CD2 3.32Å; V592-F594 WeakPolarHBondContact O-CD2 3.38Å; V592-F594 WeakPolarHBondContact O-CE2 3.34Å
593V74.8Confident83.8Confident4 Ų464.7 Ų64.72%0.02429%0.293CS..EExtended strand (participates in β ladder)trans-93.6126.9166.61750000107.3F519 S520 D522 R591 K745F519-V593 CarbonylContact C-O 3.6Å; S520-V593 PolarHBondContact N-O 3.19Å; S520-V593 PolarHBondContact O-N 3.32Å; S520-V593 VanDerWaalsContact O-O 3.13Å; D522-V593 VanDerWaalsContact CG-CG2 3.46Å; D522-V593 WeakPolarHBondContact OD1-CG2 3.39Å; D522-V593 WeakPolarHBondContact OD2-CG2 3.18Å; R591-V593 PolarHBondContact O-N 3.1Å; V593-K745 WeakPolarHBondContact CG1-O 3.17Å; V593-K745 HydrophobicContact CG2-CB 4.23Å; V593-K745 HydrophobicContact CG2-CD 4.46Å
594F76.2Confident83.6Confident35 Ų3568.2 Ų68.215%0.15431%0.311CS..EExtended strand (participates in β ladder)trans-102.2128.8-175.7-58.7-110.9000108.7F519 F585 V592 L601 M742 G747F519-F594 AromaticContact CD1-CD1 3.93Å; F519-F594 HydrophobicContact CD1-CD1 3.93Å; F519-F594 HydrophobicContact CD1-CE1 4.3Å; F519-F594 AromaticContact CE1-CD1 3.63Å; F519-F594 HydrophobicContact CE1-CD1 3.63Å; F519-F594 AromaticContact CE1-CE1 3.8Å; F519-F594 HydrophobicContact CE1-CE1 3.8Å; F585-F594 HydrophobicContact CZ-CZ 4.43Å; V592-F594 HydrophobicContact CB-CE2 4.06Å; V592-F594 HydrophobicContact CB-CZ 4.35Å; V592-F594 HydrophobicContact CG1-CD1 4.27Å; V592-F594 HydrophobicContact CG1-CD2 3.91Å; V592-F594 HydrophobicContact CG1-CE1 4.06Å; V592-F594 HydrophobicContact CG1-CE2 3.68Å; V592-F594 HydrophobicContact CG1-CG 4.21Å; V592-F594 HydrophobicContact CG1-CZ 3.76Å; V592-F594 VanDerWaalsContact O-CD2 3.32Å; V592-F594 WeakPolarHBondContact O-CD2 3.38Å; V592-F594 WeakPolarHBondContact O-CE2 3.34Å; F594-L601 HydrophobicContact CB-CD2 3.12Å; F594-L601 HydrophobicContact CD1-CD1 4.5Å; F594-L601 HydrophobicContact CD1-CD2 3.63Å; F594-L601 HydrophobicContact CD2-CD2 3.5Å; F594-L601 VanDerWaalsContact CD2-CD2 3.5Å; F594-L601 HydrophobicContact CE1-CD1 4.48Å; F594-L601 HydrophobicContact CE1-CD2 4.3Å; F594-L601 HydrophobicContact CE2-CD2 4.19Å; F594-L601 HydrophobicContact CG-CD2 3.17Å; F594-M742 HydrophobicContact CE2-CE 3.94Å; F594-G747 PolarHBondContact O-N 3.02Å; F594-G747 VanDerWaalsContact O-N 3.11Å
595N73.5Confident83.4Confident10 Ų1062.8 Ų62.85%0.05329%0.29CS..  trans-106.91.6-175.8-59.4-34.4000112.7C517 Y518 S520 K598 V749C517-N595 PolarHBondContact O-ND2 2.72Å; Y518-N595 PolarHBondContact O-N 2.88Å; S520-N595 PolarHBondContact OG-ND2 3.08Å; N595-K598 WeakPolarHBondContact O-CE 3.47Å; N595-V749 VanDerWaalsContact CG-CG2 3.49Å; N595-V749 WeakPolarHBondContact OD1-CG2 3.33Å
596V75.3Confident83.2Confident64 Ų6463 Ų6339%0.38830%0.297SS..SBendtrans-123.9143-163.7179.80000109.5Y518 K598Y518-V596 HydrophobicContact CD1-CG2 3.68Å; Y518-V596 HydrophobicContact CG-CG2 4.11Å; V596-K598 PolarHBondContact O-N 3.34Å
597Q79.5Confident83.3Confident139 Ų13968.1 Ų68.165%0.6532%0.321SS*.SBendtrans49.945.5-178-69.2176.5-22.800112.2F599 V600 L601Q597-F599 PolarHBondContact O-N 2.77Å; Q597-F599 VanDerWaalsContact O-N 3.1Å; Q597-V600 HydrophobicContact CB-CB 4.36Å; Q597-V600 PolarHBondContact O-N 3.41Å; Q597-L601 PolarHBondContact O-N 2.81Å
598K79.7Confident83.6Confident80 Ų8065.8 Ų65.835%0.34831%0.313SS..Hα-helixtrans-50.2-42.8-168.4-62.2177.1-174.9178.50112.4N595 V596 R602 V746N595-K598 WeakPolarHBondContact O-CE 3.47Å; V596-K598 PolarHBondContact O-N 3.34Å; K598-R602 VanDerWaalsContact O-CB 3.26Å; K598-R602 WeakPolarHBondContact O-CB 3.41Å; K598-R602 VanDerWaalsContact O-CG 3.23Å; K598-R602 WeakPolarHBondContact O-CG 3.44Å; K598-R602 PolarHBondContact O-N 2.88Å; K598-V746 HydrophobicContact CB-CG1 4.19Å; K598-V746 HydrophobicContact CG-CG1 4.42Å
599F79.5Confident83.7Confident134 Ų13461.5 Ų61.559%0.58830%0.296SS*.Hα-helixtrans-61.7-56.2175.8179-96.1000113.2Q597 L601 R602 F603Q597-F599 PolarHBondContact O-N 2.77Å; Q597-F599 VanDerWaalsContact O-N 3.1Å; F599-L601 VanDerWaalsContact C-N 3.27Å; F599-L601 PolarHBondContact O-N 3.43Å; F599-R602 PolarHBondContact O-N 2.76Å; F599-F603 PolarHBondContact O-N 3.06Å
600V85.3Confident84Confident72 Ų7262.3 Ų62.344%0.43630%0.304SS..Hα-helixtrans-59.4-40.8-176.8-179.60000110.8Q597 F603 L604Q597-V600 HydrophobicContact CB-CB 4.36Å; Q597-V600 PolarHBondContact O-N 3.41Å; V600-F603 PolarHBondContact O-N 3.39Å; V600-L604 HydrophobicContact CG1-CD1 4.17Å; V600-L604 WeakPolarHBondContact O-CG 3.33Å; V600-L604 PolarHBondContact O-N 2.92Å
601L86.1Confident84.6Confident26 Ų2662.3 Ų62.314%0.13631%0.31CS..Hα-helixtrans-73.5-39.9178.1-17571.7000113F594 Q597 F599 F603 L604 L605 V746F594-L601 HydrophobicContact CB-CD2 3.12Å; F594-L601 HydrophobicContact CD1-CD1 4.5Å; F594-L601 HydrophobicContact CD1-CD2 3.63Å; F594-L601 HydrophobicContact CD2-CD2 3.5Å; F594-L601 VanDerWaalsContact CD2-CD2 3.5Å; F594-L601 HydrophobicContact CE1-CD1 4.48Å; F594-L601 HydrophobicContact CE1-CD2 4.3Å; F594-L601 HydrophobicContact CE2-CD2 4.19Å; F594-L601 HydrophobicContact CG-CD2 3.17Å; Q597-L601 PolarHBondContact O-N 2.81Å; F599-L601 VanDerWaalsContact C-N 3.27Å; F599-L601 PolarHBondContact O-N 3.43Å; L601-F603 VanDerWaalsContact C-N 3.25Å; L601-F603 PolarHBondContact O-N 3.29Å; L601-L604 PolarHBondContact O-N 2.91Å; L601-L605 HydrophobicContact CD1-CD1 4.16Å; L601-L605 HydrophobicContact CD1-CG 4.08Å; L601-L605 HydrophobicContact CD2-CD1 4.12Å; L601-L605 HydrophobicContact CG-CD1 3.79Å; L601-L605 HydrophobicContact CG-CG 4.12Å; L601-L605 WeakPolarHBondContact O-CG 3.28Å; L601-L605 PolarHBondContact O-N 3.09Å; L601-V746 HydrophobicContact CD2-CG1 4.1Å; L601-V746 HydrophobicContact CD2-CG2 3.79Å; L601-V746 HydrophobicContact CG-CG2 4.22Å
602R85.1Confident85.5Confident96 Ų9658.1 Ų58.136%0.36229%0.294SS..Hα-helixtrans-56.7-43.5172.3-81.9177.6-179.4-162.2-1.6110.3K598 F599 C606 F743 V746K598-R602 VanDerWaalsContact O-CB 3.26Å; K598-R602 WeakPolarHBondContact O-CB 3.41Å; K598-R602 VanDerWaalsContact O-CG 3.23Å; K598-R602 WeakPolarHBondContact O-CG 3.44Å; K598-R602 PolarHBondContact O-N 2.88Å; F599-R602 PolarHBondContact O-N 2.76Å; R602-C606 WeakPolarHBondContact O-CB 3.45Å; R602-C606 PolarHBondContact O-N 3.03Å; R602-F743 HydrophobicContact CB-CD2 4Å; R602-F743 HydrophobicContact CB-CE2 3.73Å; R602-F743 HydrophobicContact CG-CD2 4.12Å; R602-F743 HydrophobicContact CG-CE2 4.01Å; R602-F743 VanDerWaalsContact O-CD2 3.25Å; R602-F743 WeakPolarHBondContact O-CD2 3.19Å; R602-F743 WeakPolarHBondContact O-CE2 3.45Å; R602-V746 HydrophobicContact CG-CB 3.82Å; R602-V746 HydrophobicContact CG-CG1 3.92Å; R602-V746 HydrophobicContact CG-CG2 4.27Å; R602-V746 PolarHBondContact NE-O 2.67Å; R602-V746 PolarHBondContact NH2-O 3.28Å
603F89.2Confident86.1Confident131 Ų13161.5 Ų61.558%0.57531%0.311SS*.Hα-helixtrans-58.7-49.9172.5176.8-94.5000112.5F599 V600 L601 C606 H607F599-F603 PolarHBondContact O-N 3.06Å; V600-F603 PolarHBondContact O-N 3.39Å; L601-F603 VanDerWaalsContact C-N 3.25Å; L601-F603 PolarHBondContact O-N 3.29Å; F603-C606 PolarHBondContact O-N 2.96Å; F603-H607 WeakPolarHBondContact O-CB 3.42Å; F603-H607 PolarHBondContact O-N 3.22Å
604L91.2Very high87.1Confident85 Ų8564.9 Ų64.945%0.44533%0.334SS..Hα-helixtrans-64.5-41.1-179.2-72.3170.4000113.6V600 L601 H607 L608V600-L604 HydrophobicContact CG1-CD1 4.17Å; V600-L604 WeakPolarHBondContact O-CG 3.33Å; V600-L604 PolarHBondContact O-N 2.92Å; L601-L604 PolarHBondContact O-N 2.91Å; L604-H607 PolarHBondContact O-N 3.39Å; L604-L608 WeakPolarHBondContact O-CG 3.23Å; L604-L608 PolarHBondContact O-N 3.07Å
605L89.8Confident87.8Confident3 Ų365.5 Ų65.52%0.01634%0.337CS..Hα-helixtrans-71.9-37.2178-67171.9000111.8L601 L608 A609 F739 M742 F743 V746L601-L605 HydrophobicContact CD1-CD1 4.16Å; L601-L605 HydrophobicContact CD1-CG 4.08Å; L601-L605 HydrophobicContact CD2-CD1 4.12Å; L601-L605 HydrophobicContact CG-CD1 3.79Å; L601-L605 HydrophobicContact CG-CG 4.12Å; L601-L605 WeakPolarHBondContact O-CG 3.28Å; L601-L605 PolarHBondContact O-N 3.09Å; L605-L608 PolarHBondContact O-N 3.33Å; L605-A609 WeakPolarHBondContact O-CB 3.26Å; L605-A609 PolarHBondContact O-N 3.2Å; L605-F739 HydrophobicContact CD2-CD1 3.82Å; L605-F739 HydrophobicContact CD2-CE1 4.36Å; L605-M742 HydrophobicContact CD1-CB 4.18Å; L605-M742 HydrophobicContact CD2-CB 4.35Å; L605-F743 HydrophobicContact CB-CB 4.01Å; L605-V746 HydrophobicContact CD1-CG2 3.57Å
606C90.4Very high88.7Confident55 Ų5567.5 Ų67.537%0.37234%0.344SS..Hα-helixtrans-62.6-45.8171.2-178.30000111.2R602 F603 L608 A609 V610 F743R602-C606 WeakPolarHBondContact O-CB 3.45Å; R602-C606 PolarHBondContact O-N 3.03Å; F603-C606 PolarHBondContact O-N 2.96Å; C606-L608 VanDerWaalsContact C-N 3.34Å; C606-L608 PolarHBondContact O-N 2.9Å; C606-A609 PolarHBondContact O-N 3.05Å; C606-V610 WeakPolarHBondContact O-CG2 3.44Å; C606-V610 PolarHBondContact O-N 3.42Å; C606-F743 HydrophobicContact CB-CD2 4.01Å; C606-F743 HydrophobicContact CB-CE2 3.93Å
607H93.6Very high89.3Confident110 Ų11069.3 Ų69.351%0.50935%0.351SS..Hα-helixtrans-58.4-44175.1176.169.5000112.1F603 L604 V610 A611F603-H607 WeakPolarHBondContact O-CB 3.42Å; F603-H607 PolarHBondContact O-N 3.22Å; L604-H607 PolarHBondContact O-N 3.39Å; H607-V610 PolarHBondContact O-N 3.13Å; H607-A611 VanDerWaalsContact O-CB 3.24Å; H607-A611 WeakPolarHBondContact O-CB 3.41Å; H607-A611 PolarHBondContact O-N 3Å
608L94.5Very high89.9Confident47 Ų4767 Ų6725%0.24634%0.339CS..Hα-helixtrans-65.2-39.6175.6-73164.9000112.4Y578 L604 L605 C606 N612 F739Y578-L608 HydrophobicContact CE2-CD2 4.36Å; L604-L608 WeakPolarHBondContact O-CG 3.23Å; L604-L608 PolarHBondContact O-N 3.07Å; L605-L608 PolarHBondContact O-N 3.33Å; C606-L608 VanDerWaalsContact C-N 3.34Å; C606-L608 PolarHBondContact O-N 2.9Å; L608-N612 PolarHBondContact O-N 2.94Å; L608-N612 PolarHBondContact O-ND2 3.03Å; L608-F739 HydrophobicContact CB-CB 4.41Å; L608-F739 HydrophobicContact CB-CD1 3.93Å; L608-F739 HydrophobicContact CB-CD2 3.84Å; L608-F739 HydrophobicContact CB-CE1 4.1Å; L608-F739 HydrophobicContact CB-CE2 4.03Å; L608-F739 HydrophobicContact CB-CG 3.8Å; L608-F739 HydrophobicContact CB-CZ 4.15Å; L608-F739 HydrophobicContact CD1-CD1 4.08Å; L608-F739 HydrophobicContact CD1-CE1 3.66Å; L608-F739 HydrophobicContact CD1-CZ 4.01Å; L608-F739 HydrophobicContact CD2-CZ 4.47Å; L608-F739 HydrophobicContact CG-CE1 4.41Å; L608-F739 HydrophobicContact CG-CZ 4.44Å
609A90.8Very high90.4Very high9 Ų963.4 Ų63.47%0.07432%0.324CS..Hα-helixtrans-62.5-48.3174.300000111.7L605 C606 N612 L613 F739L605-A609 WeakPolarHBondContact O-CB 3.26Å; L605-A609 PolarHBondContact O-N 3.2Å; C606-A609 PolarHBondContact O-N 3.05Å; A609-N612 PolarHBondContact O-N 3.31Å; A609-L613 PolarHBondContact O-N 2.99Å; A609-L613 VanDerWaalsContact O-N 3.08Å; A609-F739 HydrophobicContact CB-CB 3.97Å
610V93.3Very high90.7Very high73 Ų7357.4 Ų57.444%0.44230%0.297SS..Hα-helixtrans-64.5-41.1178172.90000111.8C606 H607 N612 L613 C614C606-V610 WeakPolarHBondContact O-CG2 3.44Å; C606-V610 PolarHBondContact O-N 3.42Å; H607-V610 PolarHBondContact O-N 3.13Å; V610-N612 VanDerWaalsContact C-N 3.28Å; V610-N612 PolarHBondContact O-N 2.99Å; V610-L613 PolarHBondContact O-N 3.27Å; V610-L613 VanDerWaalsContact O-N 3.12Å; V610-C614 PolarHBondContact O-N 3.26Å; V610-C614 PolarHBondContact O-SG 2.96Å; V610-C614 VanDerWaalsContact O-SG 3.33Å
611A94.9Very high90.7Very high29 Ų2958.3 Ų58.324%0.2430%0.303CS..Hα-helixtrans-59.5-39177.300000112.2H607 C614 Q615H607-A611 VanDerWaalsContact O-CB 3.24Å; H607-A611 WeakPolarHBondContact O-CB 3.41Å; H607-A611 PolarHBondContact O-N 3Å; A611-C614 PolarHBondContact O-N 3.35Å; A611-Q615 PolarHBondContact O-N 3Å
612N94.7Very high90.6Very high2 Ų259.2 Ų59.21%0.01131%0.308CS..Hα-helixtrans-70.8-37.5174.4-76.2-81.9000112.3Y578 Q582 L608 A609 V610 C614 Q615 W616 S732 A735Y578-N612 PolarHBondContact OH-ND2 2.86Å; Q582-N612 PolarHBondContact NE2-OD1 3.35Å; Q582-N612 PolarHBondContact OE1-ND2 2.92Å; Q582-N612 PolarHBondContact OE1-OD1 3.35Å; L608-N612 PolarHBondContact O-N 2.94Å; L608-N612 PolarHBondContact O-ND2 3.03Å; A609-N612 PolarHBondContact O-N 3.31Å; V610-N612 VanDerWaalsContact C-N 3.28Å; V610-N612 PolarHBondContact O-N 2.99Å; N612-C614 VanDerWaalsContact C-N 3.35Å; N612-C614 PolarHBondContact O-N 3.35Å; N612-Q615 PolarHBondContact O-N 2.95Å; N612-W616 WeakPolarHBondContact O-CB 3.32Å; N612-W616 PolarHBondContact O-N 3.27Å; N612-S732 WeakPolarHBondContact CB-O 3.29Å; N612-S732 WeakPolarHBondContact O-CB 3.45Å; N612-A735 HydrophobicContact CB-CB 4.4Å; N612-A735 WeakPolarHBondContact OD1-CB 3.19Å
613L91.3Very high90.5Very high87 Ų8755.4 Ų55.446%0.45529%0.294SS..Hα-helixtrans-64.1-37.6172-68.5173.1000112.5A609 V610 L617A609-L613 PolarHBondContact O-N 2.99Å; A609-L613 VanDerWaalsContact O-N 3.08Å; V610-L613 PolarHBondContact O-N 3.27Å; V610-L613 VanDerWaalsContact O-N 3.12Å; L613-L617 PolarHBondContact O-N 3.4Å; L613-L617 VanDerWaalsContact O-N 3.07Å
614C94.2Very high90Very high76 Ų7650.7 Ų50.751%0.51428%0.275SS..Hα-helixtrans-64.4-40.9172.2-68.40000111.7V610 A611 N612 L617 K618V610-C614 PolarHBondContact O-N 3.26Å; V610-C614 PolarHBondContact O-SG 2.96Å; V610-C614 VanDerWaalsContact O-SG 3.33Å; A611-C614 PolarHBondContact O-N 3.35Å; N612-C614 VanDerWaalsContact C-N 3.35Å; N612-C614 PolarHBondContact O-N 3.35Å; C614-L617 PolarHBondContact O-N 3.03Å; C614-K618 VanDerWaalsContact O-CB 3.25Å; C614-K618 WeakPolarHBondContact O-CB 3.13Å; C614-K618 PolarHBondContact O-N 3.42Å
615Q92.8Very high89.3Confident47 Ų4749.9 Ų49.922%0.2229%0.287CS..Hα-helixtrans-70.5-35.9178.4-175.563-14.900112.6H575 A611 N612 K618 T619H575-Q615 PolarHBondContact CE1-NE2 2.88Å; H575-Q615 VanDerWaalsContact CE1-NE2 3.32Å; H575-Q615 PolarHBondContact NE2-NE2 3.24Å; A611-Q615 PolarHBondContact O-N 3Å; N612-Q615 PolarHBondContact O-N 2.95Å; Q615-K618 PolarHBondContact O-N 3.36Å; Q615-T619 WeakPolarHBondContact O-CB 3.43Å; Q615-T619 PolarHBondContact O-N 3.18Å; Q615-T619 PolarHBondContact O-OG1 2.64Å
616W91.4Very high88.5Confident53 Ų5352.9 Ų52.920%0.20131%0.308CS..Hα-helixtrans-56.5-54.7169169.274.8000111.3N612 K618 T619 I620 L733N612-W616 WeakPolarHBondContact O-CB 3.32Å; N612-W616 PolarHBondContact O-N 3.27Å; W616-K618 VanDerWaalsContact C-N 3.34Å; W616-K618 PolarHBondContact O-N 2.87Å; W616-T619 PolarHBondContact O-N 2.66Å; W616-I620 HydrophobicContact CD2-CD1 3.99Å; W616-I620 VanDerWaalsContact CE2-CD1 3.46Å; W616-I620 HydrophobicContact CG-CD1 4.43Å; W616-I620 HydrophobicContact CH2-CD1 4.27Å; W616-I620 HydrophobicContact CZ2-CD1 3.63Å; W616-I620 PolarHBondContact O-N 3.13Å; W616-L733 HydrophobicContact CD2-CD2 4Å; W616-L733 HydrophobicContact CG-CD2 3.93Å; W616-L733 HydrophobicContact CG-CG 4.2Å
617L88.6Confident87.4Confident101 Ų10151.9 Ų51.953%0.52930%0.298SS..Hα-helixtrans-60.7-42.1178.6179.461.6000112.1L613 C614 T619 I620 V621L613-L617 PolarHBondContact O-N 3.4Å; L613-L617 VanDerWaalsContact O-N 3.07Å; C614-L617 PolarHBondContact O-N 3.03Å; L617-T619 VanDerWaalsContact C-N 3.33Å; L617-T619 PolarHBondContact O-N 2.88Å; L617-I620 PolarHBondContact O-N 3.13Å; L617-V621 WeakPolarHBondContact O-CG2 3.41Å; L617-V621 PolarHBondContact O-N 3.05Å; L617-V621 VanDerWaalsContact O-N 3.1Å
618K91.8Very high85.8Confident92 Ų9250.7 Ų50.740%0.430%0.3SS..Hα-helixtrans-63.9-38177.2-169.4-105.9-177.9-138.30111.8C614 Q615 W616 V621 D622C614-K618 VanDerWaalsContact O-CB 3.25Å; C614-K618 WeakPolarHBondContact O-CB 3.13Å; C614-K618 PolarHBondContact O-N 3.42Å; Q615-K618 PolarHBondContact O-N 3.36Å; W616-K618 VanDerWaalsContact C-N 3.34Å; W616-K618 PolarHBondContact O-N 2.87Å; K618-V621 PolarHBondContact O-N 3.41Å; K618-D622 WeakPolarHBondContact CE-OD1 3.12Å; K618-D622 IonicContact NZ-OD1 3.77Å; K618-D622 PolarHBondContact NZ-OD1 3.12Å; K618-D622 IonicContact NZ-OD2 3.62Å; K618-D622 PolarHBondContact NZ-OD2 2.93Å; K618-D622 PolarHBondContact O-N 2.97Å
619T89.2Confident83.6Confident4 Ų450.8 Ų50.83%0.02531%0.312CS..Hα-helixtrans-67.4-39.1177.1-55.10000111.8Q615 W616 L617 V621 D622 E623 F725 A728 I729Q615-T619 WeakPolarHBondContact O-CB 3.43Å; Q615-T619 PolarHBondContact O-N 3.18Å; Q615-T619 PolarHBondContact O-OG1 2.64Å; W616-T619 PolarHBondContact O-N 2.66Å; L617-T619 VanDerWaalsContact C-N 3.33Å; L617-T619 PolarHBondContact O-N 2.88Å; T619-V621 VanDerWaalsContact C-N 3.35Å; T619-D622 PolarHBondContact O-N 3.04Å; T619-E623 WeakPolarHBondContact O-CB 3.48Å; T619-E623 PolarHBondContact O-N 3.05Å; T619-F725 HydrophobicContact CG2-CD1 3.88Å; T619-A728 HydrophobicContact CG2-CB 3.75Å; T619-I729 HydrophobicContact CG2-CD1 4.27Å; T619-I729 HydrophobicContact CG2-CG1 3.68Å
620I85.8Confident81.5Confident7 Ų754.2 Ų54.24%0.03633%0.327CS..Hα-helixtrans-61.8-42.5173-68.6167.4000111.1W616 L617 E623 I624 I729 H968 P972W616-I620 HydrophobicContact CD2-CD1 3.99Å; W616-I620 VanDerWaalsContact CE2-CD1 3.46Å; W616-I620 HydrophobicContact CG-CD1 4.43Å; W616-I620 HydrophobicContact CH2-CD1 4.27Å; W616-I620 HydrophobicContact CZ2-CD1 3.63Å; W616-I620 PolarHBondContact O-N 3.13Å; L617-I620 PolarHBondContact O-N 3.13Å; I620-E623 PolarHBondContact O-N 3.16Å; I620-I624 HydrophobicContact CG2-CD1 3.77Å; I620-I624 HydrophobicContact CG2-CG1 4.46Å; I620-I624 VanDerWaalsContact O-CG1 3.28Å; I620-I624 WeakPolarHBondContact O-CG1 3.46Å; I620-I624 PolarHBondContact O-N 3.01Å; I620-I729 HydrophobicContact CG1-CD1 4.23Å; I620-I729 HydrophobicContact CG1-CG1 4.43Å; I620-H968 HydrophobicContact CG2-CB 4.29Å; I620-P972 HydrophobicContact CD1-CG 3.81Å; I620-P972 HydrophobicContact CG1-CG 4.05Å
621V85.3Confident78.9Confident91 Ų9160 Ų6055%0.55235%0.348SS*.Hα-helixtrans-68-42.5177.8173.80000111.9L617 K618 T619 E623 G625L617-V621 WeakPolarHBondContact O-CG2 3.41Å; L617-V621 PolarHBondContact O-N 3.05Å; L617-V621 VanDerWaalsContact O-N 3.1Å; K618-V621 PolarHBondContact O-N 3.41Å; T619-V621 VanDerWaalsContact C-N 3.35Å; V621-E623 VanDerWaalsContact C-N 3.3Å; V621-E623 PolarHBondContact O-N 2.69Å; V621-G625 PolarHBondContact O-N 2.9Å
622D84.4Confident76Confident46 Ų4665.3 Ų65.325%0.24637%0.368CS..Hα-helixtrans-56.2-44.3171.2-80.619.3000110.8K548 K618 T619 G625 S626 F725K548-D622 IonicContact NZ-OD2 3.69Å; K548-D622 PolarHBondContact NZ-OD2 3.36Å; K618-D622 WeakPolarHBondContact CE-OD1 3.12Å; K618-D622 IonicContact NZ-OD1 3.77Å; K618-D622 PolarHBondContact NZ-OD1 3.12Å; K618-D622 IonicContact NZ-OD2 3.62Å; K618-D622 PolarHBondContact NZ-OD2 2.93Å; K618-D622 PolarHBondContact O-N 2.97Å; T619-D622 PolarHBondContact O-N 3.04Å; D622-G625 PolarHBondContact O-N 2.96Å; D622-S626 WeakPolarHBondContact O-CB 3.43Å; D622-S626 PolarHBondContact O-N 3.48Å; D622-F725 HydrophobicContact CB-CE1 3.96Å
623E83.4Confident73.2Confident16 Ų1670.4 Ų70.48%0.07539%0.392CS..Hα-helixtrans-67.3-49.1-178.4-168.3-179.8171.100112.1T619 I620 V621 G625 S626 E627 F725 I729 K946 H968T619-E623 WeakPolarHBondContact O-CB 3.48Å; T619-E623 PolarHBondContact O-N 3.05Å; I620-E623 PolarHBondContact O-N 3.16Å; V621-E623 VanDerWaalsContact C-N 3.3Å; V621-E623 PolarHBondContact O-N 2.69Å; E623-G625 PolarHBondContact O-N 3.08Å; E623-S626 PolarHBondContact O-N 3.14Å; E623-S626 PolarHBondContact O-OG 3.17Å; E623-E627 PolarHBondContact O-N 3.03Å; E623-F725 HydrophobicContact CB-CB 4.41Å; E623-F725 HydrophobicContact CB-CD1 3.69Å; E623-F725 HydrophobicContact CB-CD2 4.21Å; E623-F725 HydrophobicContact CB-CE1 3.84Å; E623-F725 HydrophobicContact CB-CE2 4.35Å; E623-F725 HydrophobicContact CB-CG 3.89Å; E623-F725 HydrophobicContact CB-CZ 4.18Å; E623-F725 HydrophobicContact CG-CB 4.08Å; E623-F725 HydrophobicContact CG-CD1 4.09Å; E623-F725 HydrophobicContact CG-CD2 3.7Å; E623-F725 HydrophobicContact CG-CE1 4.39Å; E623-F725 HydrophobicContact CG-CE2 4.06Å; E623-F725 HydrophobicContact CG-CG 3.73Å; E623-F725 HydrophobicContact CG-CZ 4.38Å; E623-F725 WeakPolarHBondContact OE2-CB 3.23Å; E623-I729 WeakPolarHBondContact OE2-CD1 3.37Å; E623-K946 IonicContact OE1-NZ 2.7Å; E623-K946 PolarHBondContact OE1-NZ 3.38Å; E623-H968 IonicContact OE1-CD2 3.76Å; E623-H968 IonicContact OE1-NE2 3.15Å
624I79.1Confident70.3Confident31 Ų3173.7 Ų73.716%0.15941%0.41CS..Hα-helixtrans-57-40.9176-67.4164.7000110.7I620 S626 M961 H968I620-I624 HydrophobicContact CG2-CD1 3.77Å; I620-I624 HydrophobicContact CG2-CG1 4.46Å; I620-I624 VanDerWaalsContact O-CG1 3.28Å; I620-I624 WeakPolarHBondContact O-CG1 3.46Å; I620-I624 PolarHBondContact O-N 3.01Å; I624-S626 VanDerWaalsContact C-N 3.3Å; I624-S626 PolarHBondContact O-N 2.83Å; I624-M961 HydrophobicContact CG2-CE 4.31Å; I624-H968 HydrophobicContact CD1-CB 3.71Å; I624-H968 HydrophobicContact CG1-CB 3.39Å; I624-H968 VanDerWaalsContact CG1-CG 3.44Å
625G75.3Confident67.5Low68 Ų6876.1 Ų76.170%0.70142%0.416SS*.Hα-helixtrans-70.6-22.5177.900000114.4V621 D622 E623V621-G625 PolarHBondContact O-N 2.9Å; D622-G625 PolarHBondContact O-N 2.96Å; E623-G625 PolarHBondContact O-N 3.08Å
626S72.5Confident64.3Low66 Ų6678 Ų7846%0.46243%0.433SS..Hα-helixtrans-85.9-18.9179.774.40000114.5D622 E623 I624D622-S626 WeakPolarHBondContact O-CB 3.43Å; D622-S626 PolarHBondContact O-N 3.48Å; E623-S626 PolarHBondContact O-N 3.14Å; E623-S626 PolarHBondContact O-OG 3.17Å; I624-S626 VanDerWaalsContact C-N 3.3Å; I624-S626 PolarHBondContact O-N 2.83Å
627E68.9Low61.5Low34 Ų3483.3 Ų83.316%0.15947%0.465CS..SBendtrans-85.1116.6-175.2-167.8-169.1-126.400111.2E623 K946 N950 K964 H968E623-E627 PolarHBondContact O-N 3.03Å; E627-K946 WeakPolarHBondContact OE1-CE 3.38Å; E627-K946 IonicContact OE1-NZ 3.49Å; E627-N950 PolarHBondContact OE1-ND2 2.76Å; E627-K964 PolarHBondContact O-NZ 3.15Å; E627-K964 WeakPolarHBondContact OE2-CD 3.48Å; E627-K964 VanDerWaalsContact OE2-CE 3.23Å; E627-K964 WeakPolarHBondContact OE2-CE 3.45Å; E627-K964 WeakPolarHBondContact OE2-CG 3.11Å; E627-K964 IonicContact OE2-NZ 2.67Å; E627-K964 PolarHBondContact OE2-NZ 2.78Å; E627-H968 IonicContact OE1-CE1 3.94Å; E627-H968 IonicContact OE2-CE1 2.72Å
628P58.9Low59Low86 Ų8681.9 Ų81.956%0.55846%0.463SS*.PPolyproline II helixtrans-58.5153.7-172.623-33.9000113.1K964P628-K964 PolarHBondContact O-NZ 3.27Å
629G49.2Very low56.2Low48 Ų4880 Ų8050%0.49546%0.464SS..PPolyproline II helixtrans-63.9141.1175.900000111.2E631 E632G629-E631 PolarHBondContact O-N 3.18Å; G629-E632 PolarHBondContact O-N 2.83Å
630H46.5Very low53.6Low82 Ų8284.4 Ų84.438%0.3849%0.487SS..THydrogen-bonded Turntrans-66.310.9178.9-66.9-52.6000114.8S960H630-S960 PolarHBondContact CD2-OG 2.8Å
631E38.4Very low50.9Low193 Ų19386.7 Ų86.790%0.90250%0.501SS*.THydrogen-bonded Turntrans-99.6-8.6177.3-62.4179172.500112.2G629G629-E631 PolarHBondContact O-N 3.18Å
632E34.3Very low48.3Very low141 Ų14188.2 Ų88.266%0.65950%0.5SS*.  trans-103.620.4-173-150.6165-141.500114.2G629 L634G629-E632 PolarHBondContact O-N 2.83Å; E632-L634 PolarHBondContact O-N 2.78Å
633E35.9Very low45.8Very low109 Ų10990.4 Ų90.451%0.50952%0.517SS..THydrogen-bonded Turntrans-75.145.5172.4-156.4-169.3-144.900112.7R803 R806E633-R803 VanDerWaalsContact CD-NH1 3.34Å; E633-R803 IonicContact OE1-NH1 3.95Å; E633-R803 IonicContact OE2-CZ 2.85Å; E633-R803 IonicContact OE2-NH1 2.84Å; E633-R803 PolarHBondContact OE2-NH1 2.78Å; E633-R803 IonicContact OE2-NH2 3.11Å; E633-R806 IonicContact OE1-CZ 3.76Å; E633-R806 IonicContact OE1-NH1 3.25Å; E633-R806 PolarHBondContact OE1-NH1 3.44Å; E633-R806 IonicContact OE1-NH2 3.81Å; E633-R806 PolarHBondContact OE1-NH2 3.28Å; E633-R806 IonicContact OE2-NH1 3.76Å
634L30.6Very low43.4Very low157 Ų15793.8 Ų93.882%0.82254%0.543SS*.THydrogen-bonded Turntrans-116.412.5179-112.7167.1000112.8E632 P636E632-L634 PolarHBondContact O-N 2.78Å; L634-P636 WeakPolarHBondContact O-CD 3.33Å
635I34.3Very low41.4Very low127 Ų12799 Ų9965%0.65157%0.566SS**  trans-66.6119.3166.8-55.5177.4000108A639I635-A639 HydrophobicContact CG2-CB 3.63Å
636P27Very low39.5Very low87 Ų87102.6 Ų102.657%0.56556%0.56SS**  trans-70157.1178.129.1-34.4000111.7L634 S638 A639L634-P636 WeakPolarHBondContact O-CD 3.33Å; P636-S638 PolarHBondContact O-N 3.26Å; P636-A639 PolarHBondContact O-N 3.03Å
637D31.7Very low37.6Very low163 Ų163108.3 Ų108.387%0.87258%0.577SS**THydrogen-bonded Turntrans-60.21.7-173.2-60.9-75.3000116
638S35.6Very low36Very low72 Ų72113.7 Ų113.750%0.50361%0.606SS.*THydrogen-bonded Turntrans-86-5.5179.555.20000115.2P636P636-S638 PolarHBondContact O-N 3.26Å
639A33.3Very low34.7Very low51 Ų51116.8 Ų116.842%0.42162%0.617SS.*SBendtrans-90-17.3-17500000115.1I635 P636 V641I635-A639 HydrophobicContact CG2-CB 3.63Å; P636-A639 PolarHBondContact O-N 3.03Å; A639-V641 PolarHBondContact O-N 3.09Å
640I34.7Very low34.1Very low97 Ų97119.2 Ų119.250%0.49763%0.633SS.*  trans-90.776.2-178.1-50179.9000109.8F642 V801I640-F642 HydrophobicContact CG2-CE2 3.91Å; I640-F642 HydrophobicContact CG2-CZ 4.14Å; I640-V801 HydrophobicContact CD1-CG1 3.89Å
641V29.1Very low33.5Very low55 Ų55124.6 Ų124.633%0.33366%0.656SS.*  trans-100.8119.3173.6-169.70000109.4A639 Y646A639-V641 PolarHBondContact O-N 3.09Å; V641-Y646 WeakPolarHBondContact CB-OH 3.31Å; V641-Y646 HydrophobicContact CG1-CE1 3.95Å; V641-Y646 HydrophobicContact CG1-CE2 4.11Å; V641-Y646 VanDerWaalsContact CG1-CZ 3.49Å; V641-Y646 WeakPolarHBondContact CG1-OH 3.42Å
642F30.9Very low33.4Very low123 Ų123121.4 Ų121.454%0.53965%0.649SS.*  trans-76.8142.7-177.3-71.3-92.7000111I640 S644 E645I640-F642 HydrophobicContact CG2-CE2 3.91Å; I640-F642 HydrophobicContact CG2-CZ 4.14Å; F642-S644 PolarHBondContact O-N 3.39Å; F642-E645 PolarHBondContact O-N 3.12Å
643P31.6Very low33.5Very low93 Ų93120.6 Ų120.660%0.60466%0.656SS**THydrogen-bonded Turntrans-55-15.7176.9-29.336.5000115.8
644S34.5Very low33.3Very low86 Ų86123.6 Ų123.660%0.60168%0.675SS**THydrogen-bonded Turntrans-73.6-23-17949.60000115.4F642F642-S644 PolarHBondContact O-N 3.39Å
645E35.2Very low33.5Very low141 Ų141123.4 Ų123.466%0.65968%0.675SS**SBendtrans-82.8-20.1-177-69.4-172.6133.100113.2F642 F647F642-E645 PolarHBondContact O-N 3.12Å; E645-F647 PolarHBondContact O-N 3.08Å
646Y36.7Very low33.5Very low144 Ų144122.3 Ų122.357%0.56568%0.678SS**THydrogen-bonded Turntrans-78.9-13.4-175-53.1-69.3000115.3V641V641-Y646 WeakPolarHBondContact CB-OH 3.31Å; V641-Y646 HydrophobicContact CG1-CE1 3.95Å; V641-Y646 HydrophobicContact CG1-CE2 4.11Å; V641-Y646 VanDerWaalsContact CG1-CZ 3.49Å; V641-Y646 WeakPolarHBondContact CG1-OH 3.42Å
647F32.4Very low33.8Very low186 Ų186124.3 Ų124.382%0.81669%0.689SS**THydrogen-bonded Turntrans-93.5-5.4-167-163.7-105.7000115E645E645-F647 PolarHBondContact O-N 3.08Å
648L34.6Very low34Very low147 Ų147123.2 Ų123.277%0.7769%0.689SS**SBendtrans-108.3-24.8-169.2-79.5165.9000116.3
649D32.8Very low33.6Very low150 Ų150128 Ų12880%0.80271%0.708SS**  trans-9715-170.8-90.2-13.1000115.8K651D649-K651 PolarHBondContact O-N 3.29Å
650A35.9Very low33.8Very low100 Ų100133.9 Ų133.983%0.82673%0.726SS**  trans-72.931.8-178.300000115
651K35.1Very low33.6Very low195 Ų195138.1 Ų138.185%0.84874%0.741SS**  trans-148.344.7-167.5-116.2-176.8-174.4-178.80117.8D649D649-K651 PolarHBondContact O-N 3.29Å
652T35Very low33.7Very low126 Ų126146.5 Ų146.577%0.77377%0.768SS**  trans-144.3126.8163.78.10000112.2
653P36.8Very low33.8Very low124 Ų124145.5 Ų145.581%0.80577%0.772SS**  trans-78.9140.2176.631.8-33.6000111.9
654L32.2Very low33.9Very low172 Ų172148.8 Ų148.890%0.90179%0.785SS**  trans-72.6138.5-177.8-161.182.9000112.1
655N33.8Very low33.8Very low152 Ų152147.8 Ų147.881%0.81379%0.788SS**  trans-151.4151.8166.9-107-32.5000111.9
656S35Very low33.6Very low104 Ų104147.4 Ų147.473%0.72780%0.796SS**  trans64.987.7166.2-58.50000119.1
657T32.9Very low33.2Very low130 Ų130150.2 Ų150.280%0.79882%0.816SS**  trans9128.6132.451.30000120
658T36.1Very low33.1Very low140 Ų140145.5 Ų145.586%0.85981%0.806SS**  -164.9128.1119.49.50000111.5
659L27.4Very low33.1Very low173 Ų173144.9 Ų144.991%0.90681%0.811SS**  trans-109.4115174.1177.971.5000108.7
660H37.2Very low33.3Very low173 Ų173143.8 Ų143.880%0.80181%0.81SS**  trans-124.7134.7177.7-122.9-90.7000112.1
661K31.1Very low33.4Very low186 Ų186145.8 Ų145.881%0.80980%0.8SS**  trans-65.5141.2174.9-64.7173.5177.4175.70110.2
662Y31.4Very low33.5Very low231 Ų231141.2 Ų141.291%0.90679%0.785SS**  trans-136.7136.9143.2-116-85.7000110.2
663T32.2Very low33.8Very low102 Ų102141 Ų14163%0.62678%0.779SS**  trans-123.9147.7179.247.50000108.9
664N33.1Very low34.2Very low162 Ų162139 Ų13987%0.86676%0.764SS**  trans74.9125.7173.5-44.9-22.6000115
665G32.3Very low34.8Very low66 Ų66135.8 Ų135.868%0.6875%0.748SS**  trans129.1118.3167.600000114.5
666T32.1Very low35.2Very low133 Ų133132.7 Ų132.782%0.81673%0.731SS**  trans45.9112.7159.150.30000119S668T666-S668 PolarHBondContact O-N 2.85Å
667M28Very low35.7Very low202 Ų202130.5 Ų130.5100%0.99572%0.72SS**  trans-58.4124.1171.7-66.517871.800112.2
668S29.8Very low36.3Very low87 Ų87128.5 Ų128.561%0.60870%0.704SS**  trans-145.5123.2161.643.50000108.7T666 T670T666-S668 PolarHBondContact O-N 2.85Å; S668-T670 PolarHBondContact O-N 3.48Å; S668-T670 VanDerWaalsContact O-N 3.07Å
669P35.4Very low36.6Very low134 Ų134127.7 Ų127.787%0.8769%0.692SS**  trans-87.272.5-169.734.4-35.8000112.3F671P669-F671 PolarHBondContact O-N 3.18Å
670T37.2Very low37.7Very low127 Ų127123.3 Ų123.378%0.77967%0.672SS**  trans-74.887.5169.538.40000110.6S668 N672S668-T670 PolarHBondContact O-N 3.48Å; S668-T670 VanDerWaalsContact O-N 3.07Å; T670-N672 PolarHBondContact O-N 2.88Å
671F36.5Very low38.3Very low142 Ų142119.1 Ų119.162%0.62366%0.655SS**  trans-67.4101.8-178.4-165.7-90.5000111.4P669 L673 L676P669-F671 PolarHBondContact O-N 3.18Å; F671-L673 PolarHBondContact O-N 3.4Å; F671-L676 HydrophobicContact CE1-CD2 4.43Å
672N37.3Very low39Very low100 Ų100116 Ų11654%0.53565%0.646SS.*  trans-86.1105.1-173.2-158.4-21.3000111T670 T674 N675T670-N672 PolarHBondContact O-N 2.88Å; N672-T674 PolarHBondContact O-N 3.32Å; N672-T674 PolarHBondContact OD1-OG1 3.35Å; N672-N675 PolarHBondContact O-N 3.07Å
673L41.2Very low39.7Very low122 Ų122109.9 Ų109.964%0.63963%0.629SS**Hα-helixtrans-54-30.9-169-172.263.2000114.2F671 N675 L676F671-L673 PolarHBondContact O-N 3.4Å; L673-N675 PolarHBondContact O-N 3.1Å; L673-L676 PolarHBondContact O-N 3.27Å
674T46Very low40.3Very low81 Ų81109.5 Ų109.550%0.49762%0.617SS.*Hα-helixtrans-58.5-28.8175.948.90000114N672 N678N672-T674 PolarHBondContact O-N 3.32Å; N672-T674 PolarHBondContact OD1-OG1 3.35Å; T674-N678 PolarHBondContact O-N 3.35Å; T674-N678 PolarHBondContact O-ND2 2.98Å
675N44.6Very low40.9Very low105 Ų105110.1 Ų110.156%0.56161%0.612SS**Hα-helixtrans-74.7-30.7179.2-73.7-25000112.9N672 L673 M679N672-N675 PolarHBondContact O-N 3.07Å; L673-N675 PolarHBondContact O-N 3.1Å; N675-M679 PolarHBondContact O-N 3.3Å; N675-M679 VanDerWaalsContact O-N 3.08Å
676L42.7Very low41.5Very low86 Ų86115.3 Ų115.345%0.4562%0.615SS.*Hα-helixtrans-70.7-45.2178.6-172.862.3000111F671 L673 N678 M679 V680F671-L676 HydrophobicContact CE1-CD2 4.43Å; L673-L676 PolarHBondContact O-N 3.27Å; L676-N678 VanDerWaalsContact C-N 3.34Å; L676-N678 PolarHBondContact O-N 3.36Å; L676-M679 PolarHBondContact O-N 3.02Å; L676-M679 VanDerWaalsContact O-N 3.16Å; L676-V680 PolarHBondContact O-N 3.27Å
677A45.8Very low42.1Very low59 Ų59116.9 Ų116.949%0.48861%0.613SS.*Hα-helixtrans-58.9-43.2174.900000112.4M679 V680 L681A677-M679 VanDerWaalsContact C-N 3.34Å; A677-M679 PolarHBondContact O-N 3.45Å; A677-V680 PolarHBondContact O-N 3.01Å; A677-L681 PolarHBondContact O-N 3.17Å; A677-L681 VanDerWaalsContact O-N 3.12Å
678N45.6Very low43Very low88 Ų88112.8 Ų112.847%0.47160%0.595SS.*Hα-helixtrans-64.1-36175.7-80-49.6000112.9T674 L676 L682T674-N678 PolarHBondContact O-N 3.35Å; T674-N678 PolarHBondContact O-ND2 2.98Å; L676-N678 VanDerWaalsContact C-N 3.34Å; L676-N678 PolarHBondContact O-N 3.36Å; N678-L682 WeakPolarHBondContact O-CB 3.39Å; N678-L682 VanDerWaalsContact O-CG 3.27Å; N678-L682 WeakPolarHBondContact O-CG 3.43Å; N678-L682 PolarHBondContact O-N 3.01Å
679M41.9Very low43.7Very low123 Ų123112.4 Ų112.461%0.60660%0.598SS**Hα-helixtrans-66.1-41.3177.8-167.5179-6800112.1N675 L676 A677 N683N675-M679 PolarHBondContact O-N 3.3Å; N675-M679 VanDerWaalsContact O-N 3.08Å; L676-M679 PolarHBondContact O-N 3.02Å; L676-M679 VanDerWaalsContact O-N 3.16Å; A677-M679 VanDerWaalsContact C-N 3.34Å; A677-M679 PolarHBondContact O-N 3.45Å; M679-N683 PolarHBondContact O-N 2.87Å
680V51.4Low44.1Very low80 Ų80113.8 Ų113.849%0.48560%0.597SS.*Hα-helixtrans-64.4-47.5176176.90000111.1L676 A677 L682 N683 R684L676-V680 PolarHBondContact O-N 3.27Å; A677-V680 PolarHBondContact O-N 3.01Å; V680-L682 VanDerWaalsContact C-N 3.34Å; V680-L682 PolarHBondContact O-N 3.35Å; V680-N683 PolarHBondContact O-N 3.17Å; V680-R684 PolarHBondContact O-N 3.1Å
681L49.8Very low44.3Very low86 Ų86112.9 Ų112.945%0.4559%0.592SS.*Hα-helixtrans-62.5-36.4179.1-79.3166.1000113.4A677 R684 K685A677-L681 PolarHBondContact O-N 3.17Å; A677-L681 VanDerWaalsContact O-N 3.12Å; L681-R684 PolarHBondContact O-N 3.42Å; L681-K685 PolarHBondContact O-N 2.68Å
682L45.7Very low44.5Very low119 Ų119115.5 Ų115.562%0.62360%0.603SS**Hα-helixtrans-69.9-37.3178.5-75.9170.5000112.8N678 V680N678-L682 WeakPolarHBondContact O-CB 3.39Å; N678-L682 VanDerWaalsContact O-CG 3.27Å; N678-L682 WeakPolarHBondContact O-CG 3.43Å; N678-L682 PolarHBondContact O-N 3.01Å; V680-L682 VanDerWaalsContact C-N 3.34Å; V680-L682 PolarHBondContact O-N 3.35Å
683N44.3Very low44.6Very low103 Ų103116.8 Ų116.855%0.55162%0.617SS**Hα-helixtrans-65-41.2174.5-80.5-16.9000111.7M679 V680 K685 K686M679-N683 PolarHBondContact O-N 2.87Å; V680-N683 PolarHBondContact O-N 3.17Å; N683-K685 VanDerWaalsContact C-N 3.34Å; N683-K685 PolarHBondContact O-N 3.33Å; N683-K686 WeakPolarHBondContact O-CB 3.38Å; N683-K686 PolarHBondContact O-N 3.39Å
684R45.7Very low44.6Very low95 Ų95119.5 Ų119.536%0.35863%0.626SS.*Hα-helixtrans-61.5-38.4-179.9-150.1176.4-159.2146.919.7112.8A557 V680 L681 K686 H687 E707A557-R684 PolarHBondContact O-NH2 2.84Å; V680-R684 PolarHBondContact O-N 3.1Å; L681-R684 PolarHBondContact O-N 3.42Å; R684-K686 PolarHBondContact O-N 3.11Å; R684-H687 PolarHBondContact O-N 3.3Å; R684-E707 IonicContact NH1-OE1 3.85Å; R684-E707 PolarHBondContact NH1-OE1 3.11Å
685K46.5Very low44.3Very low174 Ų174123.7 Ų123.776%0.75765%0.645SS**Hα-helixtrans-65.6-19.7175.1-78.8-171.6175.4-179.40114.2L681 N683L681-K685 PolarHBondContact O-N 2.68Å; N683-K685 VanDerWaalsContact C-N 3.34Å; N683-K685 PolarHBondContact O-N 3.33Å
686K43.7Very low44.2Very low175 Ų175122 Ų12276%0.76165%0.646SS**Hα-helixtrans-82.5-22-178.5-133.6177-175-178.90113.7N683 R684N683-K686 WeakPolarHBondContact O-CB 3.38Å; N683-K686 PolarHBondContact O-N 3.39Å; R684-K686 PolarHBondContact O-N 3.11Å
687H44.7Very low43.9Very low167 Ų167126 Ų12677%0.77367%0.668SS**Hα-helixtrans-92.3-32179.6-88.8-89.5000114.4R684 A689R684-H687 PolarHBondContact O-N 3.3Å; H687-A689 VanDerWaalsContact C-N 3.26Å; H687-A689 PolarHBondContact O-N 2.92Å
688N47.9Very low43.7Very low116 Ų116131.3 Ų131.362%0.6268%0.677SS**G310 helixtrans-85.516.2-176.6-73.88.2000114.6N690 T691N688-N690 VanDerWaalsContact C-N 3.25Å; N688-N690 PolarHBondContact O-N 3.01Å; N688-T691 PolarHBondContact O-OG1 2.84Å
689A45.1Very low43.5Very low79 Ų79132.2 Ų132.265%0.65368%0.682SS**G310 helixtrans-72.6-9.4-17500000115.1H687H687-A689 VanDerWaalsContact C-N 3.26Å; H687-A689 PolarHBondContact O-N 2.92Å
690N42.7Very low43.8Very low162 Ų162132.3 Ų132.387%0.86668%0.684SS**G310 helixtrans-101.71.3-172.7-75.7-7.8000115.2N688N688-N690 VanDerWaalsContact C-N 3.25Å; N688-N690 PolarHBondContact O-N 3.01Å
691T42.5Very low43.5Very low109 Ų109132.2 Ų132.267%0.66969%0.688SS**SBendtrans-104.2124.1176.445.10000111.1N688N688-T691 PolarHBondContact O-OG1 2.84Å
692K38.8Very low43.4Very low197 Ų197131.6 Ų131.686%0.85769%0.687SS**  trans-58136.9176.5-65.6179.5179.5178.90110.5H694K692-H694 PolarHBondContact O-N 2.95Å
693P41Very low43.7Very low126 Ų126129 Ų12982%0.81868%0.676SS**  trans-66.8126.517029-32.9000109.2
694H41.1Very low43.9Very low179 Ų179129.6 Ų129.683%0.82968%0.676SS**  trans-105.7134.2161.9-120.3-77.8000107.1K692 A696K692-H694 PolarHBondContact O-N 2.95Å; H694-A696 PolarHBondContact O-N 3.34Å
695D38.1Very low44Very low169 Ų169127.8 Ų127.890%0.90468%0.681SS**  trans-65.9103-177.6-64.6-64.7000111.5
696A42.9Very low44.4Very low71 Ų71122.1 Ų122.159%0.58767%0.666SS**  trans-130.6116.7167.200000107.8H694 Y698H694-A696 PolarHBondContact O-N 3.34Å; A696-Y698 VanDerWaalsContact C-N 3.32Å; A696-Y698 PolarHBondContact O-N 2.93Å
697N37.8Very low44.8Very low169 Ų169116.4 Ų116.490%0.90464%0.642SS**  trans-71.187.5178.7-173.838.3000109.6
698Y41.4Very low45.3Very low170 Ų170115.2 Ų115.267%0.66764%0.637SS**  trans-89.7119.3-172.7-132.6-84.9000110.6A696 N700 V703A696-Y698 VanDerWaalsContact C-N 3.32Å; A696-Y698 PolarHBondContact O-N 2.93Å; Y698-N700 PolarHBondContact O-N 3.1Å; Y698-V703 HydrophobicContact CD1-CG2 3.96Å; Y698-V703 HydrophobicContact CE1-CG2 4.26Å
699D41.6Very low45.5Very low108 Ų108112.6 Ų112.658%0.57863%0.632SS**  trans-65.6106.4-179.9-100.1-42.7000111S701 T702D699-S701 PolarHBondContact O-N 3.34Å; D699-T702 HydrophobicContact CB-CG2 3.93Å; D699-T702 WeakPolarHBondContact O-CB 3.16Å; D699-T702 PolarHBondContact O-N 2.88Å; D699-T702 PolarHBondContact O-OG1 2.67Å
700N46.5Very low46Very low124 Ų124111.1 Ų111.166%0.66361%0.614SS**Hα-helixtrans-56.8-23.9179.4-70.9-45.4000113.2Y698 V703 H704Y698-N700 PolarHBondContact O-N 3.1Å; N700-V703 PolarHBondContact O-N 3.4Å; N700-H704 PolarHBondContact O-N 3.4Å; N700-H704 VanDerWaalsContact O-N 3.12Å
701S46.1Very low46.6Very low79 Ų79107.6 Ų107.655%0.55260%0.595SS**Hα-helixtrans-61.8-39.5172.153.60000112.6D699 A705D699-S701 PolarHBondContact O-N 3.34Å; S701-A705 WeakPolarHBondContact O-CB 3.33Å; S701-A705 PolarHBondContact O-N 3.16Å
702T47.4Very low47.1Very low73 Ų73103.9 Ų103.945%0.44858%0.579SS.*Hα-helixtrans-69.6-36.8178.366.70000111.9D699 A705 A706D699-T702 HydrophobicContact CB-CG2 3.93Å; D699-T702 WeakPolarHBondContact O-CB 3.16Å; D699-T702 PolarHBondContact O-N 2.88Å; D699-T702 PolarHBondContact O-OG1 2.67Å; T702-A705 PolarHBondContact O-N 3.16Å; T702-A706 WeakPolarHBondContact O-CB 3.4Å; T702-A706 PolarHBondContact O-N 3.1Å
703V51.6Low47.9Very low64 Ų6497.1 Ų97.139%0.38856%0.556SS.*Hα-helixtrans-66.7-47.4177.8-176.10000110.5Y698 N700 A705 A706 E707Y698-V703 HydrophobicContact CD1-CG2 3.96Å; Y698-V703 HydrophobicContact CE1-CG2 4.26Å; N700-V703 PolarHBondContact O-N 3.4Å; V703-A705 PolarHBondContact O-N 2.95Å; V703-A706 PolarHBondContact O-N 3.24Å; V703-E707 WeakPolarHBondContact O-CB 3.45Å; V703-E707 PolarHBondContact O-N 2.91Å
704H48.2Very low48.7Very low116 Ų11691.2 Ų91.254%0.53752%0.517SS..Hα-helixtrans-64.3-39.6175.8-82.7-52.6000113N700 A706 E707 Q708N700-H704 PolarHBondContact O-N 3.4Å; N700-H704 VanDerWaalsContact O-N 3.12Å; H704-A706 VanDerWaalsContact C-N 3.35Å; H704-A706 PolarHBondContact O-N 3.3Å; H704-E707 PolarHBondContact O-N 2.94Å; H704-Q708 VanDerWaalsContact O-CB 3.32Å; H704-Q708 WeakPolarHBondContact O-CB 3.41Å; H704-Q708 WeakPolarHBondContact O-CG 3.39Å; H704-Q708 PolarHBondContact O-N 2.77Å
705A49.3Very low49.7Very low56 Ų5686 Ų8646%0.46350%0.495SS..Hα-helixtrans-63.2-40.4175.500000112S701 T702 V703 A709S701-A705 WeakPolarHBondContact O-CB 3.33Å; S701-A705 PolarHBondContact O-N 3.16Å; T702-A705 PolarHBondContact O-N 3.16Å; V703-A705 PolarHBondContact O-N 2.95Å; A705-A709 WeakPolarHBondContact O-CB 3.39Å; A705-A709 PolarHBondContact O-N 3.09Å
706A53.8Low50.8Low55 Ų5581 Ų8146%0.45547%0.47SS..Hα-helixtrans-68-43.4175.500000112.3T702 V703 H704 A709 V710T702-A706 WeakPolarHBondContact O-CB 3.4Å; T702-A706 PolarHBondContact O-N 3.1Å; V703-A706 PolarHBondContact O-N 3.24Å; H704-A706 VanDerWaalsContact C-N 3.35Å; H704-A706 PolarHBondContact O-N 3.3Å; A706-A709 PolarHBondContact O-N 3.39Å; A706-V710 WeakPolarHBondContact O-CG2 3.14Å; A706-V710 PolarHBondContact O-N 3.48Å
707E53Low52Low56 Ų5677.8 Ų77.826%0.26244%0.444SS..Hα-helixtrans-66.7-40.5179.9-163.2161.9-123.900111.3R684 V703 H704 L711R684-E707 IonicContact NH1-OE1 3.85Å; R684-E707 PolarHBondContact NH1-OE1 3.11Å; V703-E707 WeakPolarHBondContact O-CB 3.45Å; V703-E707 PolarHBondContact O-N 2.91Å; H704-E707 PolarHBondContact O-N 2.94Å; E707-L711 HydrophobicContact CG-CD1 4.42Å; E707-L711 WeakPolarHBondContact O-CB 3.32Å; E707-L711 WeakPolarHBondContact O-CD1 3.44Å; E707-L711 WeakPolarHBondContact O-CG 3.38Å; E707-L711 PolarHBondContact O-N 3.29Å
708Q53.9Low53.4Low141 Ų14176 Ų7666%0.65943%0.428SS*.Hα-helixtrans-64.7-40.6170-74.6-179.6-22.800112.7H704 G712H704-Q708 VanDerWaalsContact O-CB 3.32Å; H704-Q708 WeakPolarHBondContact O-CB 3.41Å; H704-Q708 WeakPolarHBondContact O-CG 3.39Å; H704-Q708 PolarHBondContact O-N 2.77Å; Q708-G712 PolarHBondContact O-N 2.92Å
709A53Low54.8Low62 Ų6274.7 Ų74.751%0.51242%0.423SS..Hα-helixtrans-65.3-38.9178.400000112.4A705 A706 C713A705-A709 WeakPolarHBondContact O-CB 3.39Å; A705-A709 PolarHBondContact O-N 3.09Å; A706-A709 PolarHBondContact O-N 3.39Å; A709-C713 WeakPolarHBondContact O-CB 3.38Å; A709-C713 PolarHBondContact O-N 2.91Å
710V55.4Low56.4Low47 Ų4773 Ų7329%0.28541%0.413SS..Hα-helixtrans-76.2-38.9178-177.30000111.9E554 A557 A706 G712 C713 G714E554-V710 HydrophobicContact CG-CG1 4.39Å; A557-V710 HydrophobicContact CB-CB 4.2Å; A557-V710 HydrophobicContact CB-CG1 3.43Å; A557-V710 VanDerWaalsContact CB-CG1 3.43Å; A557-V710 HydrophobicContact CB-CG2 4.49Å; A706-V710 WeakPolarHBondContact O-CG2 3.14Å; A706-V710 PolarHBondContact O-N 3.48Å; V710-G712 PolarHBondContact O-N 2.89Å; V710-C713 PolarHBondContact O-N 3.49Å; V710-G714 PolarHBondContact O-N 3.08Å
711L54.7Low57.8Low88 Ų8867.6 Ų67.646%0.46139%0.386SS..Hα-helixtrans-59.6-46.3170.8-76.6164000111.4E707 C713 G714 I715E707-L711 HydrophobicContact CG-CD1 4.42Å; E707-L711 WeakPolarHBondContact O-CB 3.32Å; E707-L711 WeakPolarHBondContact O-CD1 3.44Å; E707-L711 WeakPolarHBondContact O-CG 3.38Å; E707-L711 PolarHBondContact O-N 3.29Å; L711-C713 VanDerWaalsContact C-N 3.34Å; L711-C713 PolarHBondContact O-N 2.89Å; L711-G714 PolarHBondContact O-N 3.15Å; L711-I715 WeakPolarHBondContact O-CB 3.28Å; L711-I715 WeakPolarHBondContact O-CD1 3.4Å; L711-I715 VanDerWaalsContact O-CG1 3.26Å; L711-I715 WeakPolarHBondContact O-CG1 3.4Å; L711-I715 PolarHBondContact O-N 3.29Å
712G53.3Low59.3Low32 Ų3266.9 Ų66.933%0.3338%0.379SS..Hα-helixtrans-62.4-38.6174.900000112.8Q708 V710 T716Q708-G712 PolarHBondContact O-N 2.92Å; V710-G712 PolarHBondContact O-N 2.89Å; G712-T716 VanDerWaalsContact O-CB 3.3Å; G712-T716 WeakPolarHBondContact O-CB 3.1Å; G712-T716 PolarHBondContact O-N 3.46Å; G712-T716 PolarHBondContact O-OG1 3.27Å
713C55Low60.8Low55 Ų5567.8 Ų67.837%0.37238%0.375SS..Hα-helixtrans-64.4-49.5175.5-173.60000111.5A709 V710 L711 I715 T716 V717A709-C713 WeakPolarHBondContact O-CB 3.38Å; A709-C713 PolarHBondContact O-N 2.91Å; V710-C713 PolarHBondContact O-N 3.49Å; L711-C713 VanDerWaalsContact C-N 3.34Å; L711-C713 PolarHBondContact O-N 2.89Å; C713-I715 PolarHBondContact O-N 3.25Å; C713-T716 CarbonylContact O-C 3.55Å; C713-T716 WeakPolarHBondContact O-CA 3.24Å; C713-T716 WeakPolarHBondContact O-CB 3.42Å; C713-T716 PolarHBondContact O-N 3.45Å; C713-V717 WeakPolarHBondContact O-CG2 3.21Å; C713-V717 PolarHBondContact O-N 3.25Å
714G58.1Low62.5Low1 Ų165.8 Ų65.81%0.0136%0.362CS..Hα-helixtrans-64.2-39.8-179.500000114E554 V710 L711 K718E554-G714 WeakPolarHBondContact OE2-CA 3.39Å; V710-G714 PolarHBondContact O-N 3.08Å; L711-G714 PolarHBondContact O-N 3.15Å; G714-K718 WeakPolarHBondContact O-CD 3.3Å; G714-K718 WeakPolarHBondContact O-CG 3.44Å; G714-K718 PolarHBondContact O-N 3.06Å
715I61.7Low64.3Low69 Ų6960.8 Ų60.835%0.35434%0.339SS..Hα-helixtrans-57.7-50168.5-72.4168.5000109.7L711 C713 V717 K718 Y719L711-I715 WeakPolarHBondContact O-CB 3.28Å; L711-I715 WeakPolarHBondContact O-CD1 3.4Å; L711-I715 VanDerWaalsContact O-CG1 3.26Å; L711-I715 WeakPolarHBondContact O-CG1 3.4Å; L711-I715 PolarHBondContact O-N 3.29Å; C713-I715 PolarHBondContact O-N 3.25Å; I715-V717 PolarHBondContact O-N 3.1Å; I715-K718 PolarHBondContact O-N 3.06Å; I715-Y719 HydrophobicContact CG2-CD2 3.81Å; I715-Y719 HydrophobicContact CG2-CE2 3.94Å; I715-Y719 WeakPolarHBondContact O-CD2 3.5Å; I715-Y719 PolarHBondContact O-N 3.43Å; I715-Y719 VanDerWaalsContact O-N 3.13Å
716T62.7Low66Low64 Ų6459.5 Ų59.539%0.39333%0.326SS..Hα-helixtrans-62.5-43.8-178.8-57.30000112.1G712 C713 K718 Y719 L720G712-T716 VanDerWaalsContact O-CB 3.3Å; G712-T716 WeakPolarHBondContact O-CB 3.1Å; G712-T716 PolarHBondContact O-N 3.46Å; G712-T716 PolarHBondContact O-OG1 3.27Å; C713-T716 CarbonylContact O-C 3.55Å; C713-T716 WeakPolarHBondContact O-CA 3.24Å; C713-T716 WeakPolarHBondContact O-CB 3.42Å; C713-T716 PolarHBondContact O-N 3.45Å; T716-K718 PolarHBondContact O-N 3.32Å; T716-Y719 PolarHBondContact O-N 3.49Å; T716-L720 HydrophobicContact CG2-CB 4.4Å; T716-L720 HydrophobicContact CG2-CD2 4.18Å; T716-L720 WeakPolarHBondContact O-CB 3.37Å; T716-L720 PolarHBondContact O-N 2.87Å
717V68.3Low67.7Low5 Ų558.2 Ų58.23%0.0331%0.313CS..Hα-helixtrans-57.8-51.6177.8168.80000110.4F547 E551 C713 I715 Y719 L720 A721F547-V717 HydrophobicContact CB-CG1 4.3Å; F547-V717 HydrophobicContact CB-CG2 4.18Å; F547-V717 HydrophobicContact CD1-CG2 3.77Å; F547-V717 HydrophobicContact CG-CG2 4.2Å; E551-V717 HydrophobicContact CG-CG1 4Å; C713-V717 WeakPolarHBondContact O-CG2 3.21Å; C713-V717 PolarHBondContact O-N 3.25Å; I715-V717 PolarHBondContact O-N 3.1Å; V717-Y719 VanDerWaalsContact C-N 3.33Å; V717-Y719 PolarHBondContact O-N 3.37Å; V717-L720 PolarHBondContact O-N 2.94Å; V717-A721 WeakPolarHBondContact O-CB 3.45Å; V717-A721 PolarHBondContact O-N 3.49Å
718K66.9Low69.5Low130 Ų13055.7 Ų55.757%0.56530%0.302SS*.Hα-helixtrans-63.2-35-177.6-73.8161.5-176.9150.10113.3E554 G714 I715 T716 P722E554-K718 IonicContact OE1-NZ 2.81Å; E554-K718 PolarHBondContact OE1-NZ 3.24Å; E554-K718 IonicContact OE2-NZ 3.68Å; E554-K718 PolarHBondContact OE2-NZ 3.11Å; G714-K718 WeakPolarHBondContact O-CD 3.3Å; G714-K718 WeakPolarHBondContact O-CG 3.44Å; G714-K718 PolarHBondContact O-N 3.06Å; I715-K718 PolarHBondContact O-N 3.06Å; T716-K718 PolarHBondContact O-N 3.32Å; K718-P722 WeakPolarHBondContact O-CD 3.41Å
719Y69.7Low71.2Confident144 Ų14449.1 Ų49.157%0.56527%0.271SS*.Hα-helixtrans-85.2-27.3176.8-71.9-61.8000114.4I715 T716 V717 Y723I715-Y719 HydrophobicContact CG2-CD2 3.81Å; I715-Y719 HydrophobicContact CG2-CE2 3.94Å; I715-Y719 WeakPolarHBondContact O-CD2 3.5Å; I715-Y719 PolarHBondContact O-N 3.43Å; I715-Y719 VanDerWaalsContact O-N 3.13Å; T716-Y719 PolarHBondContact O-N 3.49Å; V717-Y719 VanDerWaalsContact C-N 3.33Å; V717-Y719 PolarHBondContact O-N 3.37Å; Y719-Y723 WeakPolarHBondContact O-CD2 3.46Å; Y719-Y723 VanDerWaalsContact O-CE2 3.23Å; Y719-Y723 WeakPolarHBondContact O-CE2 3.08Å
720L76.1Confident72.9Confident71 Ų7146.2 Ų46.237%0.37225%0.247SC..Hα-helixtrans-99.3-32.4-172.9-173.555.3000113.9F547 T716 V717 P722 Y723F547-L720 HydrophobicContact CE2-CB 4.49Å; F547-L720 HydrophobicContact CE2-CD2 3.8Å; F547-L720 HydrophobicContact CE2-CG 3.98Å; F547-L720 HydrophobicContact CZ-CD2 3.63Å; F547-L720 HydrophobicContact CZ-CG 4.3Å; T716-L720 HydrophobicContact CG2-CB 4.4Å; T716-L720 HydrophobicContact CG2-CD2 4.18Å; T716-L720 WeakPolarHBondContact O-CB 3.37Å; T716-L720 PolarHBondContact O-N 2.87Å; V717-L720 PolarHBondContact O-N 2.94Å; L720-P722 VanDerWaalsContact C-CD 3.46Å; L720-P722 VanDerWaalsContact C-N 3.34Å; L720-Y723 PolarHBondContact O-N 3.45Å; L720-Y723 VanDerWaalsContact O-N 3.11Å
721A75.4Confident74.8Confident12 Ų1244.1 Ų44.110%0.09923%0.234CC..G310 helixtrans-56.1-38.8177.900000113.6F544 V717 Y723 L724F544-A721 HydrophobicContact CD2-CB 4.37Å; F544-A721 HydrophobicContact CE2-CB 4.08Å; F544-A721 WeakPolarHBondContact CE2-O 3.41Å; V717-A721 WeakPolarHBondContact O-CB 3.45Å; V717-A721 PolarHBondContact O-N 3.49Å; A721-Y723 VanDerWaalsContact C-N 3.25Å; A721-Y723 PolarHBondContact O-N 2.85Å; A721-L724 PolarHBondContact O-N 2.77Å
722P77.2Confident76.6Confident63 Ų6340.1 Ų40.141%0.40921%0.213SC..G310 helixtrans-58-32.7175.4-2837.4000114.4K718 L720 L724K718-P722 WeakPolarHBondContact O-CD 3.41Å; L720-P722 VanDerWaalsContact C-CD 3.46Å; L720-P722 VanDerWaalsContact C-N 3.34Å; P722-L724 PolarHBondContact O-N 3.16Å
723Y79.8Confident78.4Confident93 Ų9339.7 Ų39.737%0.36520%0.204SC..G310 helixtrans-77.8-3.7179.4-65-84.1000113.7Y719 L720 A721 F943Y719-Y723 WeakPolarHBondContact O-CD2 3.46Å; Y719-Y723 VanDerWaalsContact O-CE2 3.23Å; Y719-Y723 WeakPolarHBondContact O-CE2 3.08Å; L720-Y723 PolarHBondContact O-N 3.45Å; L720-Y723 VanDerWaalsContact O-N 3.11Å; A721-Y723 VanDerWaalsContact C-N 3.25Å; A721-Y723 PolarHBondContact O-N 2.85Å; Y723-F943 HydrophobicContact CD1-CD1 4.07Å; Y723-F943 HydrophobicContact CD1-CE1 4.41Å
724L87.8Confident80.1Confident21 Ų2137.1 Ų37.111%0.1119%0.186CC..G310 helixtrans-104.5-11.4179.6-67.7173.5000114.2I543 F544 F547 A721 P722 C727 A728I543-L724 HydrophobicContact CB-CD1 4.38Å; I543-L724 HydrophobicContact CG2-CD1 3.8Å; F544-L724 HydrophobicContact CB-CB 4.01Å; F544-L724 HydrophobicContact CB-CD1 4.1Å; F544-L724 HydrophobicContact CD2-CB 3.76Å; F544-L724 HydrophobicContact CD2-CD1 4.37Å; F544-L724 HydrophobicContact CE2-CB 4.49Å; F544-L724 HydrophobicContact CG-CB 4.11Å; F547-L724 HydrophobicContact CD2-CD1 3.82Å; F547-L724 HydrophobicContact CE2-CD1 3.68Å; A721-L724 PolarHBondContact O-N 2.77Å; P722-L724 PolarHBondContact O-N 3.16Å; L724-C727 WeakPolarHBondContact O-CB 3.34Å; L724-C727 PolarHBondContact O-N 2.87Å; L724-C727 VanDerWaalsContact O-N 3.1Å; L724-A728 PolarHBondContact O-N 2.83Å
725F84.4Confident81.8Confident12 Ų1237 Ų375%0.05319%0.185CC..Hα-helixtrans-53.6-45.1169.9-72.6-74.9000112.5F544 T619 D622 E623 C727 A728 I729F544-F725 HydrophobicContact CE1-CD1 4.32Å; F544-F725 HydrophobicContact CE1-CE1 4.34Å; F544-F725 AromaticContact CZ-CD1 3.78Å; F544-F725 HydrophobicContact CZ-CD1 3.78Å; F544-F725 AromaticContact CZ-CE1 3.6Å; F544-F725 HydrophobicContact CZ-CE1 3.6Å; F544-F725 HydrophobicContact CZ-CE2 4.45Å; F544-F725 HydrophobicContact CZ-CG 4.3Å; F544-F725 AromaticContact CZ-CZ 3.96Å; F544-F725 HydrophobicContact CZ-CZ 3.96Å; T619-F725 HydrophobicContact CG2-CD1 3.88Å; D622-F725 HydrophobicContact CB-CE1 3.96Å; E623-F725 HydrophobicContact CB-CB 4.41Å; E623-F725 HydrophobicContact CB-CD1 3.69Å; E623-F725 HydrophobicContact CB-CD2 4.21Å; E623-F725 HydrophobicContact CB-CE1 3.84Å; E623-F725 HydrophobicContact CB-CE2 4.35Å; E623-F725 HydrophobicContact CB-CG 3.89Å; E623-F725 HydrophobicContact CB-CZ 4.18Å; E623-F725 HydrophobicContact CG-CB 4.08Å; E623-F725 HydrophobicContact CG-CD1 4.09Å; E623-F725 HydrophobicContact CG-CD2 3.7Å; E623-F725 HydrophobicContact CG-CE1 4.39Å; E623-F725 HydrophobicContact CG-CE2 4.06Å; E623-F725 HydrophobicContact CG-CG 3.73Å; E623-F725 HydrophobicContact CG-CZ 4.38Å; E623-F725 WeakPolarHBondContact OE2-CB 3.23Å; F725-C727 VanDerWaalsContact C-N 3.27Å; F725-C727 PolarHBondContact O-N 2.99Å; F725-A728 PolarHBondContact O-N 3.11Å; F725-A728 VanDerWaalsContact O-N 3.1Å; F725-I729 HydrophobicContact CB-CD1 4.45Å; F725-I729 WeakPolarHBondContact O-CB 3.43Å; F725-I729 VanDerWaalsContact O-CG1 3.29Å; F725-I729 WeakPolarHBondContact O-CG1 3.37Å; F725-I729 PolarHBondContact O-N 3.41Å
726P85.4Confident83.2Confident28 Ų2834 Ų3418%0.18217%0.171CC..Hα-helixtrans-56.8-37.8175.7-26.736.1000113.3I729 E730 T942P726-I729 PolarHBondContact O-N 3.01Å; P726-E730 WeakPolarHBondContact O-CB 3.18Å; P726-E730 WeakPolarHBondContact O-CG 3.19Å; P726-E730 PolarHBondContact O-N 3.34Å; P726-T942 HydrophobicContact CB-CG2 4.15Å
727C90Very high84.3Confident28 Ų2831.6 Ų31.619%0.18916%0.158CC..Hα-helixtrans-66-40.9176.9-67.60000112.5F537 L724 F725 Y731F537-C727 HydrophobicContact CD1-CB 4.35Å; L724-C727 WeakPolarHBondContact O-CB 3.34Å; L724-C727 PolarHBondContact O-N 2.87Å; L724-C727 VanDerWaalsContact O-N 3.1Å; F725-C727 VanDerWaalsContact C-N 3.27Å; F725-C727 PolarHBondContact O-N 2.99Å; C727-Y731 WeakPolarHBondContact O-CB 3.32Å; C727-Y731 PolarHBondContact O-N 3.37Å
728A91.1Very high85.3Confident3 Ų331.4 Ų31.43%0.02516%0.157CC..Hα-helixtrans-68.1-36.2176.600000112.6V541 F544 T619 L724 F725 S732V541-A728 HydrophobicContact CG1-CB 4.25Å; V541-A728 HydrophobicContact CG2-CB 4.21Å; F544-A728 HydrophobicContact CD1-CB 4.44Å; T619-A728 HydrophobicContact CG2-CB 3.75Å; L724-A728 PolarHBondContact O-N 2.83Å; F725-A728 PolarHBondContact O-N 3.11Å; F725-A728 VanDerWaalsContact O-N 3.1Å; A728-S732 WeakPolarHBondContact O-CB 3.48Å; A728-S732 PolarHBondContact O-N 3.25Å; A728-S732 PolarHBondContact O-OG 3.47Å
729I89.3Confident86.5Confident4 Ų425.3 Ų25.32%0.02113%0.13CC..Hα-helixtrans-66.8-55.6175.8-72167.7000111T619 I620 E623 F725 P726 Y731 S732 L733 P972T619-I729 HydrophobicContact CG2-CD1 4.27Å; T619-I729 HydrophobicContact CG2-CG1 3.68Å; I620-I729 HydrophobicContact CG1-CD1 4.23Å; I620-I729 HydrophobicContact CG1-CG1 4.43Å; E623-I729 WeakPolarHBondContact OE2-CD1 3.37Å; F725-I729 HydrophobicContact CB-CD1 4.45Å; F725-I729 WeakPolarHBondContact O-CB 3.43Å; F725-I729 VanDerWaalsContact O-CG1 3.29Å; F725-I729 WeakPolarHBondContact O-CG1 3.37Å; F725-I729 PolarHBondContact O-N 3.41Å; P726-I729 PolarHBondContact O-N 3.01Å; I729-Y731 PolarHBondContact O-N 3.49Å; I729-S732 PolarHBondContact O-N 2.79Å; I729-L733 PolarHBondContact O-N 3Å; I729-L733 VanDerWaalsContact O-N 3.13Å; I729-P972 HydrophobicContact CD1-CG 4.34Å; I729-P972 HydrophobicContact CG2-CB 3.47Å; I729-P972 VanDerWaalsContact CG2-CB 3.47Å; I729-P972 HydrophobicContact CG2-CG 3.74Å
730E89.2Confident87.3Confident1 Ų121 Ų211%0.00511%0.113CC..Hα-helixtrans-61.5-43.8-179.9-73.7-60.4137.300112.3F537 P726 S732 L733 I734 V975 F976F537-E730 HydrophobicContact CB-CB 4.49Å; F537-E730 HydrophobicContact CD1-CB 3.92Å; F537-E730 HydrophobicContact CD1-CG 4.49Å; F537-E730 HydrophobicContact CD2-CB 3.77Å; F537-E730 HydrophobicContact CE1-CB 3.98Å; F537-E730 HydrophobicContact CE1-CG 4.1Å; F537-E730 HydrophobicContact CE2-CB 3.83Å; F537-E730 HydrophobicContact CE2-CG 4.31Å; F537-E730 HydrophobicContact CG-CB 3.82Å; F537-E730 HydrophobicContact CZ-CB 3.93Å; F537-E730 HydrophobicContact CZ-CG 4Å; P726-E730 WeakPolarHBondContact O-CB 3.18Å; P726-E730 WeakPolarHBondContact O-CG 3.19Å; P726-E730 PolarHBondContact O-N 3.34Å; E730-S732 VanDerWaalsContact C-N 3.28Å; E730-S732 PolarHBondContact O-N 3.06Å; E730-L733 PolarHBondContact O-N 3.34Å; E730-I734 WeakPolarHBondContact O-CB 3.34Å; E730-I734 WeakPolarHBondContact O-CD1 3.43Å; E730-I734 VanDerWaalsContact O-CG1 3.29Å; E730-I734 WeakPolarHBondContact O-CG1 3.35Å; E730-I734 PolarHBondContact O-N 3.43Å; E730-V975 HydrophobicContact CG-CG1 3.96Å; E730-V975 WeakPolarHBondContact OE1-CB 3.19Å; E730-V975 VanDerWaalsContact OE1-CG1 3.31Å; E730-V975 WeakPolarHBondContact OE1-CG1 3.44Å; E730-F976 WeakPolarHBondContact OE1-CA 3.48Å; E730-F976 PolarHBondContact OE1-N 3.39Å; E730-F976 WeakPolarHBondContact OE2-CA 3.37Å
731Y94.3Very high87.5Confident3 Ų318 Ų181%0.01210%0.097CC..Hα-helixtrans-56.3-45.2176.7177.9-103.4000111.8A534 V541 V579 Q582 T583 C727 I729 I734 A735A534-Y731 VanDerWaalsContact O-CD2 3.3Å; A534-Y731 WeakPolarHBondContact O-CD2 3.32Å; A534-Y731 VanDerWaalsContact O-CE2 3.3Å; A534-Y731 WeakPolarHBondContact O-CE2 3.32Å; V541-Y731 HydrophobicContact CG2-CD1 3.93Å; V541-Y731 HydrophobicContact CG2-CG 3.81Å; V579-Y731 HydrophobicContact CB-CE1 4.45Å; V579-Y731 HydrophobicContact CG1-CE1 3.92Å; V579-Y731 HydrophobicContact CG1-CE2 4.5Å; V579-Y731 HydrophobicContact CG2-CE1 4.11Å; V579-Y731 PolarHBondContact O-OH 3.27Å; Q582-Y731 WeakPolarHBondContact CG-OH 3.11Å; Q582-Y731 PolarHBondContact NE2-OH 3.13Å; T583-Y731 PolarHBondContact N-OH 2.88Å; T583-Y731 VanDerWaalsContact OG1-CE2 3.27Å; T583-Y731 WeakPolarHBondContact OG1-CE2 3.49Å; T583-Y731 PolarHBondContact OG1-OH 3.5Å; C727-Y731 WeakPolarHBondContact O-CB 3.32Å; C727-Y731 PolarHBondContact O-N 3.37Å; I729-Y731 PolarHBondContact O-N 3.49Å; Y731-I734 PolarHBondContact O-N 2.78Å; Y731-A735 WeakPolarHBondContact O-CB 3.42Å; Y731-A735 PolarHBondContact O-N 2.91Å
732S93.6Very high87.9Confident3 Ų318.1 Ų18.12%0.02110%0.096CC..Hα-helixtrans-66.2-43.4-177.8-60.10000111.7N612 A728 I729 E730 G736N612-S732 WeakPolarHBondContact CB-O 3.29Å; N612-S732 WeakPolarHBondContact O-CB 3.45Å; A728-S732 WeakPolarHBondContact O-CB 3.48Å; A728-S732 PolarHBondContact O-N 3.25Å; A728-S732 PolarHBondContact O-OG 3.47Å; I729-S732 PolarHBondContact O-N 2.79Å; E730-S732 VanDerWaalsContact C-N 3.28Å; E730-S732 PolarHBondContact O-N 3.06Å; S732-G736 PolarHBondContact O-N 3.27Å
733L90.4Very high88.3Confident24 Ų2417.3 Ų17.313%0.1269%0.086CC..Hα-helixtrans-61.4-49174.7-70.9175.9000111.8W616 I729 E730 G736 A737 F976W616-L733 HydrophobicContact CD2-CD2 4Å; W616-L733 HydrophobicContact CG-CD2 3.93Å; W616-L733 HydrophobicContact CG-CG 4.2Å; I729-L733 PolarHBondContact O-N 3Å; I729-L733 VanDerWaalsContact O-N 3.13Å; E730-L733 PolarHBondContact O-N 3.34Å; L733-G736 PolarHBondContact O-N 2.82Å; L733-A737 WeakPolarHBondContact O-CB 3.47Å; L733-A737 PolarHBondContact O-N 3.03Å; L733-F976 HydrophobicContact CB-CD2 4.23Å; L733-F976 HydrophobicContact CB-CE2 4.45Å; L733-F976 HydrophobicContact CD1-CB 4.06Å; L733-F976 HydrophobicContact CD1-CD2 4.27Å; L733-F976 HydrophobicContact CD1-CG 4.19Å
734I90.4Very high88.2Confident0 Ų014 Ų140%07%0.074CC..Hα-helixtrans-65.7-41.9-178.2-66.8163.7000111.3L530 A534 F537 E730 Y731 I738 F976 F979L530-I734 HydrophobicContact CD1-CB 4.45Å; L530-I734 HydrophobicContact CD1-CD1 4.48Å; L530-I734 HydrophobicContact CD1-CG1 4.03Å; L530-I734 HydrophobicContact CD1-CG2 3.72Å; L530-I734 HydrophobicContact CG-CG2 4Å; A534-I734 HydrophobicContact CB-CG2 3.87Å; F537-I734 HydrophobicContact CD2-CD1 3.57Å; F537-I734 HydrophobicContact CE2-CD1 3.66Å; E730-I734 WeakPolarHBondContact O-CB 3.34Å; E730-I734 WeakPolarHBondContact O-CD1 3.43Å; E730-I734 VanDerWaalsContact O-CG1 3.29Å; E730-I734 WeakPolarHBondContact O-CG1 3.35Å; E730-I734 PolarHBondContact O-N 3.43Å; Y731-I734 PolarHBondContact O-N 2.78Å; I734-I738 HydrophobicContact CG2-CD1 3.86Å; I734-I738 VanDerWaalsContact O-CG1 3.28Å; I734-I738 WeakPolarHBondContact O-CG1 3.4Å; I734-I738 PolarHBondContact O-N 2.89Å; I734-F976 HydrophobicContact CG1-CD2 4.46Å; I734-F976 HydrophobicContact CG1-CE2 4.08Å; I734-F979 HydrophobicContact CD1-CD1 4.02Å; I734-F979 HydrophobicContact CD1-CE1 3.58Å; I734-F979 HydrophobicContact CD1-CZ 4.31Å; I734-F979 HydrophobicContact CG1-CE1 4.38Å
735A93.2Very high87.6Confident0 Ų015 Ų150%08%0.077CC..Hα-helixtrans-63.6-47.7176.500000111.5L586 N612 Y731 A737 I738 F739L586-A735 HydrophobicContact CD1-CB 3.8Å; N612-A735 HydrophobicContact CB-CB 4.4Å; N612-A735 WeakPolarHBondContact OD1-CB 3.19Å; Y731-A735 WeakPolarHBondContact O-CB 3.42Å; Y731-A735 PolarHBondContact O-N 2.91Å; A735-A737 PolarHBondContact O-N 2.92Å; A735-I738 PolarHBondContact O-N 3.11Å; A735-F739 WeakPolarHBondContact O-CD2 3.46Å; A735-F739 PolarHBondContact O-N 2.85Å
736G91.8Very high87.2Confident6 Ų614.4 Ų14.46%0.0628%0.075CC..Hα-helixtrans-57.5-46.9176.500000112.5S732 L733 I738 F739 Y740S732-G736 PolarHBondContact O-N 3.27Å; L733-G736 PolarHBondContact O-N 2.82Å; G736-I738 PolarHBondContact O-N 3.18Å; G736-F739 PolarHBondContact O-N 2.69Å; G736-Y740 WeakPolarHBondContact O-CB 3.41Å; G736-Y740 PolarHBondContact O-N 2.98Å
737A87Confident86.3Confident13 Ų1313.9 Ų13.911%0.1077%0.074CC..Hα-helixtrans-60.3-42.7176.800000113L733 A735 Y740 K741 F849 L853L733-A737 WeakPolarHBondContact O-CB 3.47Å; L733-A737 PolarHBondContact O-N 3.03Å; A735-A737 PolarHBondContact O-N 2.92Å; A737-Y740 PolarHBondContact O-N 3.31Å; A737-K741 PolarHBondContact O-N 2.88Å; A737-F849 HydrophobicContact CB-CZ 4.35Å; A737-F849 WeakPolarHBondContact O-CZ 3.21Å; A737-L853 HydrophobicContact CB-CD1 4.11Å; A737-L853 HydrophobicContact CB-CD2 3.85Å
738I88.7Confident85Confident1 Ų118.3 Ų18.31%0.0059%0.092CC..Hα-helixtrans-68.7-40.5178.1-64.4165.6000111.2V526 L530 L586 I734 A735 G736 Y740 K741 M742V526-I738 HydrophobicContact CG1-CD1 3.98Å; V526-I738 HydrophobicContact CG1-CG1 3.89Å; V526-I738 HydrophobicContact CG2-CG2 3.93Å; L530-I738 HydrophobicContact CD2-CD1 4.45Å; L530-I738 HydrophobicContact CD2-CG1 4.16Å; L530-I738 HydrophobicContact CG-CD1 4.34Å; L586-I738 HydrophobicContact CD2-CB 3.86Å; L586-I738 HydrophobicContact CD2-CG2 3.5Å; I734-I738 HydrophobicContact CG2-CD1 3.86Å; I734-I738 VanDerWaalsContact O-CG1 3.28Å; I734-I738 WeakPolarHBondContact O-CG1 3.4Å; I734-I738 PolarHBondContact O-N 2.89Å; A735-I738 PolarHBondContact O-N 3.11Å; G736-I738 PolarHBondContact O-N 3.18Å; I738-Y740 VanDerWaalsContact C-N 3.32Å; I738-Y740 PolarHBondContact O-N 3.5Å; I738-K741 PolarHBondContact O-N 3.41Å; I738-M742 HydrophobicContact CG2-CG 4.45Å; I738-M742 HydrophobicContact CG2-SD 4.27Å; I738-M742 WeakPolarHBondContact O-CG 3.47Å; I738-M742 PolarHBondContact O-N 2.86Å
739F91.2Very high83.4Confident2 Ų221.2 Ų21.21%0.00911%0.109CC..Hα-helixtrans-63.7-38.5175.4-76.9-59.9000112.3Q582 F585 L586 L605 L608 A609 A735 G736 M742 F743Q582-F739 HydrophobicContact CG-CE2 3.76Å; Q582-F739 HydrophobicContact CG-CZ 3.95Å; F585-F739 AromaticContact CD1-CE1 3.84Å; F585-F739 HydrophobicContact CD1-CE1 3.84Å; F585-F739 HydrophobicContact CD1-CZ 4.21Å; F585-F739 AromaticContact CE1-CE1 3.78Å; F585-F739 HydrophobicContact CE1-CE1 3.78Å; L586-F739 HydrophobicContact CD1-CE2 4.24Å; L586-F739 HydrophobicContact CD2-CD1 4.32Å; L586-F739 HydrophobicContact CD2-CD2 4.21Å; L586-F739 HydrophobicContact CD2-CE1 3.97Å; L586-F739 HydrophobicContact CD2-CE2 3.84Å; L586-F739 HydrophobicContact CD2-CG 4.43Å; L586-F739 HydrophobicContact CD2-CZ 3.72Å; L586-F739 HydrophobicContact CG-CE2 4.24Å; L586-F739 HydrophobicContact CG-CZ 4.09Å; L605-F739 HydrophobicContact CD2-CD1 3.82Å; L605-F739 HydrophobicContact CD2-CE1 4.36Å; L608-F739 HydrophobicContact CB-CB 4.41Å; L608-F739 HydrophobicContact CB-CD1 3.93Å; L608-F739 HydrophobicContact CB-CD2 3.84Å; L608-F739 HydrophobicContact CB-CE1 4.1Å; L608-F739 HydrophobicContact CB-CE2 4.03Å; L608-F739 HydrophobicContact CB-CG 3.8Å; L608-F739 HydrophobicContact CB-CZ 4.15Å; L608-F739 HydrophobicContact CD1-CD1 4.08Å; L608-F739 HydrophobicContact CD1-CE1 3.66Å; L608-F739 HydrophobicContact CD1-CZ 4.01Å; L608-F739 HydrophobicContact CD2-CZ 4.47Å; L608-F739 HydrophobicContact CG-CE1 4.41Å; L608-F739 HydrophobicContact CG-CZ 4.44Å; A609-F739 HydrophobicContact CB-CB 3.97Å; A735-F739 WeakPolarHBondContact O-CD2 3.46Å; A735-F739 PolarHBondContact O-N 2.85Å; G736-F739 PolarHBondContact O-N 2.69Å; F739-M742 PolarHBondContact O-N 2.91Å; F739-F743 WeakPolarHBondContact O-CB 3.27Å; F739-F743 PolarHBondContact O-N 2.98Å
740Y86.3Confident81.8Confident53 Ų5327.3 Ų27.321%0.20813%0.132CC..Hα-helixtrans-63.1-45.6172-178.7-83.2000112L60 G736 A737 I738 M742 F743 E744 F849L60-Y740 HydrophobicContact CD2-CE2 4Å; L60-Y740 WeakPolarHBondContact CD2-OH 3.25Å; G736-Y740 WeakPolarHBondContact O-CB 3.41Å; G736-Y740 PolarHBondContact O-N 2.98Å; A737-Y740 PolarHBondContact O-N 3.31Å; I738-Y740 VanDerWaalsContact C-N 3.32Å; I738-Y740 PolarHBondContact O-N 3.5Å; Y740-M742 PolarHBondContact O-N 3.01Å; Y740-F743 HydrophobicContact CE2-CD1 4.5Å; Y740-F743 WeakPolarHBondContact O-CB 3.49Å; Y740-F743 PolarHBondContact O-N 3.12Å; Y740-E744 HydrophobicContact CD1-CG 4.28Å; Y740-E744 HydrophobicContact CE1-CG 3.61Å; Y740-E744 WeakPolarHBondContact CE1-OE1 3.38Å; Y740-E744 VanDerWaalsContact CZ-OE1 3.31Å; Y740-E744 PolarHBondContact O-N 3.49Å; Y740-E744 VanDerWaalsContact O-N 3.08Å; Y740-E744 PolarHBondContact OH-OE1 2.85Å; Y740-F849 HydrophobicContact CD1-CD2 4.45Å; Y740-F849 AromaticContact CD1-CE2 3.6Å; Y740-F849 HydrophobicContact CD1-CE2 3.6Å; Y740-F849 HydrophobicContact CD1-CZ 4.33Å; Y740-F849 HydrophobicContact CE1-CD2 4.49Å; Y740-F849 AromaticContact CE1-CE2 3.99Å; Y740-F849 HydrophobicContact CE1-CE2 3.99Å
741K81.6Confident80Confident9 Ų933.9 Ų33.94%0.03916%0.161CC..Hα-helixtrans-61.3-31.1174.7-157.9178.1-158.3165.30112.5A737 I738 K745 E846 F849 D850A737-K741 PolarHBondContact O-N 2.88Å; I738-K741 PolarHBondContact O-N 3.41Å; K741-K745 WeakPolarHBondContact O-CG 3.36Å; K741-E846 PolarHBondContact NZ-O 2.93Å; K741-F849 HydrophobicContact CB-CD1 4.25Å; K741-F849 HydrophobicContact CB-CE1 3.84Å; K741-F849 HydrophobicContact CB-CE2 4.31Å; K741-F849 HydrophobicContact CB-CZ 3.89Å; K741-F849 HydrophobicContact CD-CD1 3.36Å; K741-F849 HydrophobicContact CD-CE1 3.62Å; K741-F849 HydrophobicContact CD-CG 3.98Å; K741-F849 HydrophobicContact CD-CZ 4.49Å; K741-F849 HydrophobicContact CG-CD1 3.81Å; K741-F849 HydrophobicContact CG-CD2 4.39Å; K741-F849 HydrophobicContact CG-CE1 3.92Å; K741-F849 HydrophobicContact CG-CG 4.02Å; K741-F849 HydrophobicContact CG-CZ 4.32Å; K741-D850 IonicContact NZ-OD1 2.67Å; K741-D850 PolarHBondContact NZ-OD1 3.25Å; K741-D850 IonicContact NZ-OD2 2.6Å
742M83.6Confident77.9Confident14 Ų1438.3 Ų38.37%0.06918%0.182CC..Hα-helixtrans-75.9-31.9172.9-71.2-17766.200112.8F585 F594 L605 I738 F739 Y740 V746F585-M742 HydrophobicContact CE1-CE 3.74Å; F585-M742 HydrophobicContact CE1-SD 4.08Å; F585-M742 HydrophobicContact CZ-CE 3.92Å; F594-M742 HydrophobicContact CE2-CE 3.94Å; L605-M742 HydrophobicContact CD1-CB 4.18Å; L605-M742 HydrophobicContact CD2-CB 4.35Å; I738-M742 HydrophobicContact CG2-CG 4.45Å; I738-M742 HydrophobicContact CG2-SD 4.27Å; I738-M742 WeakPolarHBondContact O-CG 3.47Å; I738-M742 PolarHBondContact O-N 2.86Å; F739-M742 PolarHBondContact O-N 2.91Å; Y740-M742 PolarHBondContact O-N 3.01Å; M742-V746 WeakPolarHBondContact O-CG2 3.37Å
743F85Confident75.9Confident46 Ų4639.3 Ų39.320%0.20219%0.189CC..Hα-helixtrans-66.9-50.1177.8163.8-90000112.4R602 L605 C606 F739 Y740 K745 V746R602-F743 HydrophobicContact CB-CD2 4Å; R602-F743 HydrophobicContact CB-CE2 3.73Å; R602-F743 HydrophobicContact CG-CD2 4.12Å; R602-F743 HydrophobicContact CG-CE2 4.01Å; R602-F743 VanDerWaalsContact O-CD2 3.25Å; R602-F743 WeakPolarHBondContact O-CD2 3.19Å; R602-F743 WeakPolarHBondContact O-CE2 3.45Å; L605-F743 HydrophobicContact CB-CB 4.01Å; C606-F743 HydrophobicContact CB-CD2 4.01Å; C606-F743 HydrophobicContact CB-CE2 3.93Å; F739-F743 WeakPolarHBondContact O-CB 3.27Å; F739-F743 PolarHBondContact O-N 2.98Å; Y740-F743 HydrophobicContact CE2-CD1 4.5Å; Y740-F743 WeakPolarHBondContact O-CB 3.49Å; Y740-F743 PolarHBondContact O-N 3.12Å; F743-K745 PolarHBondContact O-N 3.44Å; F743-V746 WeakPolarHBondContact O-CG2 3.43Å; F743-V746 PolarHBondContact O-N 3.02Å
744E77.6Confident74.1Confident24 Ų2442.8 Ų42.811%0.11220%0.204CC..Hα-helixtrans-56.3-36.2178.7-69.5-172.1144.100111.9R61 Y740 V746 H748R61-E744 IonicContact CZ-OE1 3.13Å; R61-E744 IonicContact CZ-OE2 3.25Å; R61-E744 IonicContact NE-OE1 2.68Å; R61-E744 PolarHBondContact NE-OE1 3.44Å; R61-E744 IonicContact NE-OE2 2.7Å; R61-E744 VanDerWaalsContact NH2-CD 3.27Å; R61-E744 IonicContact NH2-OE1 2.7Å; R61-E744 IonicContact NH2-OE2 3.59Å; R61-E744 PolarHBondContact NH2-OE2 2.84Å; Y740-E744 HydrophobicContact CD1-CG 4.28Å; Y740-E744 HydrophobicContact CE1-CG 3.61Å; Y740-E744 WeakPolarHBondContact CE1-OE1 3.38Å; Y740-E744 VanDerWaalsContact CZ-OE1 3.31Å; Y740-E744 PolarHBondContact O-N 3.49Å; Y740-E744 VanDerWaalsContact O-N 3.08Å; Y740-E744 PolarHBondContact OH-OE1 2.85Å; E744-V746 VanDerWaalsContact C-N 3.33Å; E744-V746 PolarHBondContact O-N 2.98Å; E744-H748 PolarHBondContact O-ND1 2.9Å
745K75.1Confident72.3Confident40 Ų4051.9 Ų51.917%0.17424%0.238CC..THydrogen-bonded Turntrans-74.3-14-179-69.1-177.9167.6-147.70114.5D522 V593 K741 F743 G747 H748 E846D522-K745 WeakPolarHBondContact OD2-CD 3.25Å; D522-K745 IonicContact OD2-NZ 2.76Å; D522-K745 PolarHBondContact OD2-NZ 3.28Å; V593-K745 WeakPolarHBondContact CG1-O 3.17Å; V593-K745 HydrophobicContact CG2-CB 4.23Å; V593-K745 HydrophobicContact CG2-CD 4.46Å; K741-K745 WeakPolarHBondContact O-CG 3.36Å; F743-K745 PolarHBondContact O-N 3.44Å; K745-G747 PolarHBondContact O-N 2.93Å; K745-G747 VanDerWaalsContact O-N 3.11Å; K745-H748 PolarHBondContact O-N 3.41Å; K745-H748 VanDerWaalsContact O-N 3.12Å; K745-E846 IonicContact NZ-OE1 3.28Å; K745-E846 PolarHBondContact NZ-OE1 3.3Å
746V77Confident70.4Confident0 Ų056 Ų560%026%0.26CS..THydrogen-bonded Turntrans-63.2117-176.3178.60000111.1K598 L601 R602 L605 M742 F743 E744K598-V746 HydrophobicContact CB-CG1 4.19Å; K598-V746 HydrophobicContact CG-CG1 4.42Å; L601-V746 HydrophobicContact CD2-CG1 4.1Å; L601-V746 HydrophobicContact CD2-CG2 3.79Å; L601-V746 HydrophobicContact CG-CG2 4.22Å; R602-V746 HydrophobicContact CG-CB 3.82Å; R602-V746 HydrophobicContact CG-CG1 3.92Å; R602-V746 HydrophobicContact CG-CG2 4.27Å; R602-V746 PolarHBondContact NE-O 2.67Å; R602-V746 PolarHBondContact NH2-O 3.28Å; L605-V746 HydrophobicContact CD1-CG2 3.57Å; M742-V746 WeakPolarHBondContact O-CG2 3.37Å; F743-V746 WeakPolarHBondContact O-CG2 3.43Å; F743-V746 PolarHBondContact O-N 3.02Å; E744-V746 VanDerWaalsContact C-N 3.33Å; E744-V746 PolarHBondContact O-N 2.98Å
747G65.1Low68.7Low17 Ų1758.9 Ų58.918%0.17527%0.272CS..THydrogen-bonded Turntrans84-3.2179.900000115.8F594 K745 V749F594-G747 PolarHBondContact O-N 3.02Å; F594-G747 VanDerWaalsContact O-N 3.11Å; K745-G747 PolarHBondContact O-N 2.93Å; K745-G747 VanDerWaalsContact O-N 3.11Å; G747-V749 PolarHBondContact O-N 3.44Å
748H64.3Low67.3Low122 Ų12264.1 Ų64.157%0.56529%0.292SS*.  trans-92.582.9179.7-74.5131.2000111.9E744 K745 R750E744-H748 PolarHBondContact O-ND1 2.9Å; K745-H748 PolarHBondContact O-N 3.41Å; K745-H748 VanDerWaalsContact O-N 3.12Å; H748-R750 PolarHBondContact O-N 2.9Å
749V56.4Low65.7Low64 Ų6469.7 Ų69.739%0.38832%0.321SS..  trans-82.990173.8-1740000110.3N595 G747 K751N595-V749 VanDerWaalsContact CG-CG2 3.49Å; N595-V749 WeakPolarHBondContact OD1-CG2 3.33Å; G747-V749 PolarHBondContact O-N 3.44Å; V749-K751 PolarHBondContact O-N 3.38Å
750R55.6Low63.9Low131 Ų13176.3 Ų76.349%0.49435%0.346SS..  trans-64.191.9172.8-176.2173.5174.9140.2-6.2110.2H748 E752 S753H748-R750 PolarHBondContact O-N 2.9Å; R750-E752 HydrophobicContact CG-CB 3.9Å; R750-E752 IonicContact CZ-OE1 3.8Å; R750-E752 IonicContact CZ-OE2 3.92Å; R750-E752 VanDerWaalsContact CZ-OE2 3.25Å; R750-E752 IonicContact NE-OE1 2.62Å; R750-E752 IonicContact NE-OE2 3.58Å; R750-E752 PolarHBondContact NE-OE2 3.35Å; R750-E752 IonicContact NH2-OE1 2.7Å; R750-E752 PolarHBondContact NH2-OE1 2.91Å; R750-E752 IonicContact NH2-OE2 3.87Å; R750-E752 PolarHBondContact NH2-OE2 2.98Å; R750-E752 PolarHBondContact O-N 3.27Å; R750-S753 PolarHBondContact O-N 3.2Å; R750-S753 PolarHBondContact O-OG 2.93Å; R750-S753 VanDerWaalsContact O-OG 3.1Å
751K51Low62.5Low140 Ų14080.1 Ų80.161%0.60936%0.364SS*.Hα-helixtrans-43.9-30.1174.5-76.1176.7177.5170.30112.9D240 V749D240-K751 IonicContact OD2-NZ 2.94Å; D240-K751 PolarHBondContact OD2-NZ 2.82Å; V749-K751 PolarHBondContact O-N 3.38Å
752E50.1Low61.1Low96 Ų9683.5 Ų83.545%0.44939%0.393SS..Hα-helixtrans-74.5-31.7-179.2-159.5-151.9116.400114.2R750 E754 R755 L756R750-E752 HydrophobicContact CG-CB 3.9Å; R750-E752 IonicContact CZ-OE1 3.8Å; R750-E752 IonicContact CZ-OE2 3.92Å; R750-E752 VanDerWaalsContact CZ-OE2 3.25Å; R750-E752 IonicContact NE-OE1 2.62Å; R750-E752 IonicContact NE-OE2 3.58Å; R750-E752 PolarHBondContact NE-OE2 3.35Å; R750-E752 IonicContact NH2-OE1 2.7Å; R750-E752 PolarHBondContact NH2-OE1 2.91Å; R750-E752 IonicContact NH2-OE2 3.87Å; R750-E752 PolarHBondContact NH2-OE2 2.98Å; R750-E752 PolarHBondContact O-N 3.27Å; E752-E754 VanDerWaalsContact C-N 3.29Å; E752-E754 PolarHBondContact O-N 3.1Å; E752-R755 WeakPolarHBondContact O-CB 3.48Å; E752-R755 PolarHBondContact O-N 2.95Å; E752-L756 PolarHBondContact O-N 3.43Å
753S51.9Low59.4Low24 Ų2486.1 Ų86.117%0.16841%0.408CS..Hα-helixtrans-65.4-36.8178.474.70000110.7T523 R750 L756 E757T523-S753 WeakPolarHBondContact CG2-O 3.47Å; R750-S753 PolarHBondContact O-N 3.2Å; R750-S753 PolarHBondContact O-OG 2.93Å; R750-S753 VanDerWaalsContact O-OG 3.1Å; S753-L756 PolarHBondContact O-N 3.37Å; S753-E757 PolarHBondContact O-N 2.83Å
754E53.6Low57.7Low97 Ų9788.5 Ų88.545%0.45343%0.428SS..Hα-helixtrans-62-39.5169.8-79.3-159.9-16300113.1E752 E757 K758E752-E754 VanDerWaalsContact C-N 3.29Å; E752-E754 PolarHBondContact O-N 3.1Å; E754-E757 PolarHBondContact O-N 2.91Å; E754-K758 WeakPolarHBondContact O-CB 3.21Å; E754-K758 VanDerWaalsContact O-CD 3.25Å; E754-K758 WeakPolarHBondContact O-CD 3.27Å; E754-K758 WeakPolarHBondContact O-CG 3.39Å; E754-K758 PolarHBondContact O-N 3.16Å; E754-K758 IonicContact OE2-NZ 3.77Å; E754-K758 PolarHBondContact OE2-NZ 3.15Å
755R51.9Low56.2Low191 Ų19196.1 Ų96.172%0.72146%0.461SS*.Hα-helixtrans-62.5-47.3174.7-84-178.8162.5166.5-6110.1E752 E757 K758 L759E752-R755 WeakPolarHBondContact O-CB 3.48Å; E752-R755 PolarHBondContact O-N 2.95Å; R755-E757 VanDerWaalsContact C-N 3.34Å; R755-E757 PolarHBondContact O-N 2.86Å; R755-K758 PolarHBondContact O-N 3.43Å; R755-L759 WeakPolarHBondContact O-CG 3.38Å; R755-L759 PolarHBondContact O-N 3.47Å
756L54.4Low54.9Low86 Ų8698.1 Ų98.145%0.4548%0.476SS..Hα-helixtrans-65.1-35.5178.9-159.769.6000112.3E752 S753 R760E752-L756 PolarHBondContact O-N 3.43Å; S753-L756 PolarHBondContact O-N 3.37Å; L756-R760 VanDerWaalsContact O-CB 3.22Å; L756-R760 WeakPolarHBondContact O-CB 3.29Å; L756-R760 PolarHBondContact O-N 3.21Å
757E55.7Low53.4Low66 Ų66103.1 Ų103.131%0.30851%0.511SS..Hα-helixtrans-70.8-35.6174.3-140.7-153.1172.900112.7T523 S753 E754 R755 R760 K761T523-E757 HydrophobicContact CG2-CB 3.59Å; T523-E757 HydrophobicContact CG2-CG 3.63Å; S753-E757 PolarHBondContact O-N 2.83Å; E754-E757 PolarHBondContact O-N 2.91Å; R755-E757 VanDerWaalsContact C-N 3.34Å; R755-E757 PolarHBondContact O-N 2.86Å; E757-R760 PolarHBondContact O-N 3.25Å; E757-K761 HydrophobicContact CG-CD 4.47Å; E757-K761 WeakPolarHBondContact O-CB 3.43Å; E757-K761 VanDerWaalsContact O-CG 3.29Å; E757-K761 WeakPolarHBondContact O-CG 3.34Å; E757-K761 PolarHBondContact O-N 3.08Å; E757-K761 WeakPolarHBondContact OE1-CE 3.36Å; E757-K761 IonicContact OE1-NZ 3.76Å; E757-K761 PolarHBondContact OE1-NZ 2.94Å; E757-K761 IonicContact OE2-NZ 2.67Å; E757-K761 PolarHBondContact OE2-NZ 3.44Å
758K56.3Low52.3Low124 Ų124110.4 Ų110.454%0.53954%0.54SS..Hα-helixtrans-63.9-44.7174.5-72.8159.4-165.9164.70110.2E754 R755 K761 A762E754-K758 WeakPolarHBondContact O-CB 3.21Å; E754-K758 VanDerWaalsContact O-CD 3.25Å; E754-K758 WeakPolarHBondContact O-CD 3.27Å; E754-K758 WeakPolarHBondContact O-CG 3.39Å; E754-K758 PolarHBondContact O-N 3.16Å; E754-K758 IonicContact OE2-NZ 3.77Å; E754-K758 PolarHBondContact OE2-NZ 3.15Å; R755-K758 PolarHBondContact O-N 3.43Å; K758-K761 PolarHBondContact O-N 2.86Å; K758-A762 WeakPolarHBondContact O-CB 3.48Å; K758-A762 PolarHBondContact O-N 3.49Å
759L55.8Low51.4Low117 Ų117109.7 Ų109.761%0.61354%0.536SS*.Hα-helixtrans-61.8-46.8172.3-68.1170.3000112.1R755 K761 A762 N763R755-L759 WeakPolarHBondContact O-CG 3.38Å; R755-L759 PolarHBondContact O-N 3.47Å; L759-K761 VanDerWaalsContact C-N 3.29Å; L759-K761 PolarHBondContact O-N 2.87Å; L759-A762 WeakPolarHBondContact O-CB 3.26Å; L759-A762 PolarHBondContact O-N 2.97Å; L759-A762 VanDerWaalsContact O-N 3.09Å; L759-N763 PolarHBondContact O-N 3.44Å
760R53.3Low50.9Low141 Ų141111.9 Ų111.953%0.53255%0.554SS.*Hα-helixtrans-60.9-34.3176.8-178.5176.3177.4152.2-4.4113.2E524 L756 E757E524-R760 IonicContact OE1-CZ 2.69Å; E524-R760 IonicContact OE1-NH1 3.77Å; E524-R760 PolarHBondContact OE1-NH1 3.49Å; E524-R760 IonicContact OE1-NH2 3.96Å; L756-R760 VanDerWaalsContact O-CB 3.22Å; L756-R760 WeakPolarHBondContact O-CB 3.29Å; L756-R760 PolarHBondContact O-N 3.21Å; E757-R760 PolarHBondContact O-N 3.25Å
761K57Low50.6Low134 Ų134111.6 Ų111.658%0.58356%0.558SS**Hα-helixtrans-77.3-29174.4-75.9167.6177.3165.50112.7E757 K758 L759 N763E757-K761 HydrophobicContact CG-CD 4.47Å; E757-K761 WeakPolarHBondContact O-CB 3.43Å; E757-K761 VanDerWaalsContact O-CG 3.29Å; E757-K761 WeakPolarHBondContact O-CG 3.34Å; E757-K761 PolarHBondContact O-N 3.08Å; E757-K761 WeakPolarHBondContact OE1-CE 3.36Å; E757-K761 IonicContact OE1-NZ 3.76Å; E757-K761 PolarHBondContact OE1-NZ 2.94Å; E757-K761 IonicContact OE2-NZ 2.67Å; E757-K761 PolarHBondContact OE2-NZ 3.44Å; K758-K761 PolarHBondContact O-N 2.86Å; L759-K761 VanDerWaalsContact C-N 3.29Å; L759-K761 PolarHBondContact O-N 2.87Å; K761-N763 VanDerWaalsContact C-N 3.32Å
762A53.1Low50.8Low79 Ų79108.9 Ų108.965%0.65356%0.556SS**Hα-helixtrans-71.6-23.1176.700000113.4K758 L759 P764K758-A762 WeakPolarHBondContact O-CB 3.48Å; K758-A762 PolarHBondContact O-N 3.49Å; L759-A762 WeakPolarHBondContact O-CB 3.26Å; L759-A762 PolarHBondContact O-N 2.97Å; L759-A762 VanDerWaalsContact O-N 3.09Å; A762-P764 VanDerWaalsContact C-CD 3.41Å; A762-P764 WeakPolarHBondContact O-CD 3.3Å
763N46.8Very low51.2Low70 Ų70111.9 Ų111.937%0.37457%0.57SS.*  trans-114.173.3178.8-163.3-6.8000113.2L759 K761 K765L759-N763 PolarHBondContact O-N 3.44Å; K761-N763 VanDerWaalsContact C-N 3.32Å; N763-K765 PolarHBondContact O-N 3.04Å
764P49.2Very low51.8Low96 Ų96117.2 Ų117.262%0.62359%0.586SS**G310 helixtrans-72.23.1-174.430.6-37.7000115.2A762A762-P764 VanDerWaalsContact C-CD 3.41Å; A762-P764 WeakPolarHBondContact O-CD 3.3Å
765K45.9Very low52.9Low184 Ų184112.9 Ų112.980%0.857%0.567SS**G310 helixtrans-83.2-10.5-171.7-70.4-175.4176.3179.20115N763N763-K765 PolarHBondContact O-N 3.04Å
766T48.9Very low54.4Low81 Ų81107.6 Ų107.650%0.49755%0.55SS.*G310 helixtrans-92.6-9.5-177.141.80000115Q768 F995T766-Q768 VanDerWaalsContact C-N 3.34Å; T766-Q768 PolarHBondContact O-N 2.89Å; T766-F995 HydrophobicContact CG2-CB 4.38Å
767S45.6Very low56Low106 Ų106110.6 Ų110.674%0.74156%0.56SS**THydrogen-bonded Turntrans-83.53.6-17263.70000116
768Q41.9Very low57.6Low169 Ų169107.7 Ų107.779%0.7955%0.547SS*.THydrogen-bonded Turntrans-110.1-4.8-169.9-158.5165-1.600115.1T766 S770T766-Q768 VanDerWaalsContact C-N 3.34Å; T766-Q768 PolarHBondContact O-N 2.89Å; Q768-S770 PolarHBondContact O-N 3.43Å
769F44.4Very low59.3Low107 Ų107105 Ų10547%0.46954%0.538SS..  trans-80.542.2178.5-94.8-72.5000114.5E771 K921F769-E771 HydrophobicContact CD1-CG 4.5Å; F769-E771 PolarHBondContact O-N 3.44Å; F769-K921 PolarHBondContact O-NZ 3.37Å
770S46.8Very low61Low111 Ų111106 Ų10678%0.77654%0.538SS*.  trans-74.733175.461.70000113.6Q768 C772Q768-S770 PolarHBondContact O-N 3.43Å; S770-C772 PolarHBondContact O-N 3.02Å; S770-C772 VanDerWaalsContact O-N 3.13Å
771E48.6Very low63Low124 Ų124103.3 Ų103.358%0.57954%0.537SS*.  trans-75.9100.8178-65.3-174141.900110.6F769 H773 K921F769-E771 HydrophobicContact CD1-CG 4.5Å; F769-E771 PolarHBondContact O-N 3.44Å; E771-H773 PolarHBondContact O-N 3.45Å; E771-K921 PolarHBondContact O-NZ 3.42Å
772C55.6Low64.8Low83 Ų8397 Ų9756%0.56151%0.509SS*.G310 helixtrans-70.9-15.2174.2-164.50000112.8S770 R774 S775S770-C772 PolarHBondContact O-N 3.02Å; S770-C772 VanDerWaalsContact O-N 3.13Å; C772-R774 PolarHBondContact O-N 3.37Å; C772-S775 PolarHBondContact O-N 3.44Å
773H58.3Low66.8Low159 Ų15996.8 Ų96.874%0.73650%0.497SS*.G310 helixtrans-47.8-33.8-169.8-167.4-126.5000114.8E771 H776E771-H773 PolarHBondContact O-N 3.45Å; H773-H776 PolarHBondContact O-ND1 3.15Å
774R65Low69.1Low137 Ų13799.6 Ų99.652%0.51751%0.511SS..G310 helixtrans-83.3-9.4-177.6-148.5171.7-170.5138.47.9115.4C772 Q919 K920 T925C772-R774 PolarHBondContact O-N 3.37Å; R774-Q919 PolarHBondContact NH1-O 3.18Å; R774-K920 PolarHBondContact NE-O 3.42Å; R774-T925 VanDerWaalsContact O-CG2 3.22Å; R774-T925 WeakPolarHBondContact O-CG2 3.23Å
775S76Confident71.3Confident5 Ų596.6 Ų96.64%0.03549%0.49CS..THydrogen-bonded Turntrans-88.6-20.4-178-990000114.6C772 K777 G778 L779 R924 T928C772-S775 PolarHBondContact O-N 3.44Å; S775-K777 VanDerWaalsContact C-N 3.34Å; S775-K777 PolarHBondContact O-N 3.05Å; S775-K777 VanDerWaalsContact O-N 3.12Å; S775-G778 PolarHBondContact O-N 3.17Å; S775-G778 VanDerWaalsContact O-N 3.17Å; S775-L779 PolarHBondContact O-N 2.93Å; S775-R924 WeakPolarHBondContact OG-CG 3.46Å; S775-R924 PolarHBondContact OG-NE 2.91Å; S775-T928 PolarHBondContact OG-OG1 3.42Å
776H83.5Confident73.7Confident81 Ų8189.1 Ų89.138%0.37546%0.457SS..Hα-helixtrans-53.8-41-162.869-94.8000114.9H773 G778 L779 F780H773-H776 PolarHBondContact O-ND1 3.15Å; H776-G778 VanDerWaalsContact C-N 3.35Å; H776-G778 PolarHBondContact O-N 3.01Å; H776-L779 WeakPolarHBondContact O-CB 3.34Å; H776-L779 PolarHBondContact O-N 2.89Å; H776-L779 VanDerWaalsContact O-N 3.16Å; H776-F780 HydrophobicContact CB-CD2 4.22Å; H776-F780 HydrophobicContact CB-CE2 4.24Å; H776-F780 VanDerWaalsContact O-CD2 3.3Å; H776-F780 WeakPolarHBondContact O-CD2 3.28Å; H776-F780 PolarHBondContact O-N 3.4Å
777K88.2Confident76Confident149 Ų14991 Ų9165%0.64846%0.462SS*.Hα-helixtrans-61-41.1-176.8-59.8-163.1176.8-168.30112.9S775 V781S775-K777 VanDerWaalsContact C-N 3.34Å; S775-K777 PolarHBondContact O-N 3.05Å; S775-K777 VanDerWaalsContact O-N 3.12Å; K777-V781 WeakPolarHBondContact O-CG2 3.36Å; K777-V781 PolarHBondContact O-N 3.33Å
778G90Very high78.4Confident4 Ų488.8 Ų88.84%0.04145%0.45CS..Hα-helixtrans-70.3-37176.700000112.4S775 H776 G782 T925S775-G778 PolarHBondContact O-N 3.17Å; S775-G778 VanDerWaalsContact O-N 3.17Å; H776-G778 VanDerWaalsContact C-N 3.35Å; H776-G778 PolarHBondContact O-N 3.01Å; G778-G782 PolarHBondContact O-N 3.45Å; G778-T925 WeakPolarHBondContact CA-O 3.48Å
779L90.8Very high80.9Confident68 Ų6881 Ų8136%0.35641%0.414SS..Hα-helixtrans-64.5-49.8177.3-175.865.6000111.9S775 H776 G782 L783 T928 V932S775-L779 PolarHBondContact O-N 2.93Å; H776-L779 WeakPolarHBondContact O-CB 3.34Å; H776-L779 PolarHBondContact O-N 2.89Å; H776-L779 VanDerWaalsContact O-N 3.16Å; L779-G782 PolarHBondContact O-N 2.85Å; L779-L783 HydrophobicContact CD1-CD1 4.19Å; L779-L783 HydrophobicContact CD1-CG 4.37Å; L779-L783 HydrophobicContact CG-CD1 3.96Å; L779-L783 WeakPolarHBondContact O-CB 3.42Å; L779-L783 VanDerWaalsContact O-CG 3.32Å; L779-L783 WeakPolarHBondContact O-CG 3.13Å; L779-L783 PolarHBondContact O-N 3.23Å; L779-T928 HydrophobicContact CB-CG2 3.86Å; L779-T928 HydrophobicContact CD1-CG2 4.35Å; L779-V932 HydrophobicContact CD1-CG2 4.07Å
780F93Very high83.3Confident139 Ų13978.6 Ų78.661%0.6141%0.406SS*.Hα-helixtrans-67.1-40.1-177.8-80.1-68.4000113.2H776 G782 L783 L784H776-F780 HydrophobicContact CB-CD2 4.22Å; H776-F780 HydrophobicContact CB-CE2 4.24Å; H776-F780 VanDerWaalsContact O-CD2 3.3Å; H776-F780 WeakPolarHBondContact O-CD2 3.28Å; H776-F780 PolarHBondContact O-N 3.4Å; F780-G782 VanDerWaalsContact C-N 3.32Å; F780-L783 PolarHBondContact O-N 2.89Å; F780-L784 WeakPolarHBondContact O-CB 3.33Å; F780-L784 PolarHBondContact O-N 2.96Å
781V94.6Very high85.7Confident84 Ų8477.7 Ų77.751%0.50940%0.395SS..Hα-helixtrans-66.9-36.9174.5178.10000110.8K777 L784 L785 F929K777-V781 WeakPolarHBondContact O-CG2 3.36Å; K777-V781 PolarHBondContact O-N 3.33Å; V781-L784 PolarHBondContact O-N 3.29Å; V781-L785 PolarHBondContact O-N 2.97Å; V781-L785 VanDerWaalsContact O-N 3.11Å; V781-F929 HydrophobicContact CB-CD2 4.38Å; V781-F929 HydrophobicContact CB-CE2 4.38Å; V781-F929 HydrophobicContact CG1-CD2 4.21Å; V781-F929 HydrophobicContact CG1-CE2 3.77Å; V781-F929 HydrophobicContact CG1-CZ 4.32Å
782G94.6Very high87.9Confident0 Ų072.5 Ų72.50%037%0.374CS..Hα-helixtrans-63-47.2173.800000112.7G778 L779 F780 L784 L785 F786 F929 V932G778-G782 PolarHBondContact O-N 3.45Å; L779-G782 PolarHBondContact O-N 2.85Å; F780-G782 VanDerWaalsContact C-N 3.32Å; G782-L784 PolarHBondContact O-N 3.15Å; G782-L785 PolarHBondContact O-N 3.06Å; G782-F786 WeakPolarHBondContact O-CB 3.4Å; G782-F786 PolarHBondContact O-N 3.44Å; G782-F929 VanDerWaalsContact CA-CD2 3.47Å; G782-V932 WeakPolarHBondContact O-CG1 3.45Å
783L94.6Very high89.6Confident75 Ų7569.1 Ų69.139%0.39335%0.35SS..Hα-helixtrans-65-38.2178-71.8170.7000112.2L779 F780 F786 M787 V932L779-L783 HydrophobicContact CD1-CD1 4.19Å; L779-L783 HydrophobicContact CD1-CG 4.37Å; L779-L783 HydrophobicContact CG-CD1 3.96Å; L779-L783 WeakPolarHBondContact O-CB 3.42Å; L779-L783 VanDerWaalsContact O-CG 3.32Å; L779-L783 WeakPolarHBondContact O-CG 3.13Å; L779-L783 PolarHBondContact O-N 3.23Å; F780-L783 PolarHBondContact O-N 2.89Å; L783-F786 PolarHBondContact O-N 2.65Å; L783-M787 VanDerWaalsContact O-CG 3.24Å; L783-M787 WeakPolarHBondContact O-CG 3.41Å; L783-M787 PolarHBondContact O-N 3.18Å; L783-V932 HydrophobicContact CD2-CG1 4.37Å
784L95.8Very high91.3Very high130 Ų13064.8 Ų64.868%0.68134%0.338SS*.Hα-helixtrans-61.9-44.1174.6-179.162.4000111.6F780 V781 G782 M787 A788F780-L784 WeakPolarHBondContact O-CB 3.33Å; F780-L784 PolarHBondContact O-N 2.96Å; V781-L784 PolarHBondContact O-N 3.29Å; G782-L784 PolarHBondContact O-N 3.15Å; L784-M787 PolarHBondContact O-N 3.42Å; L784-A788 PolarHBondContact O-N 3.23Å
785L96.1Very high92.6Very high32 Ų3261.6 Ų61.617%0.16833%0.33CS..Hα-helixtrans-64.1-42.7174.8177.6154.1000111.6V781 G782 M787 A788 T789 L820 V823 F929 L933 A936V781-L785 PolarHBondContact O-N 2.97Å; V781-L785 VanDerWaalsContact O-N 3.11Å; G782-L785 PolarHBondContact O-N 3.06Å; L785-M787 PolarHBondContact O-N 2.89Å; L785-A788 WeakPolarHBondContact O-CB 3.33Å; L785-A788 PolarHBondContact O-N 3.15Å; L785-A788 VanDerWaalsContact O-N 3.15Å; L785-T789 HydrophobicContact CD2-CG2 4.47Å; L785-T789 PolarHBondContact O-N 3.47Å; L785-T789 PolarHBondContact O-OG1 3Å; L785-L820 HydrophobicContact CD1-CD2 4.45Å; L785-L820 HydrophobicContact CD2-CD2 3.64Å; L785-L820 HydrophobicContact CG-CD2 4.29Å; L785-V823 HydrophobicContact CD1-CG1 4.16Å; L785-F929 HydrophobicContact CD1-CE2 4.27Å; L785-F929 HydrophobicContact CD1-CZ 4.01Å; L785-L933 HydrophobicContact CD1-CD1 3.92Å; L785-L933 HydrophobicContact CD2-CD1 3.61Å; L785-L933 HydrophobicContact CG-CD1 4.45Å; L785-A936 HydrophobicContact CD2-CB 3.98Å
786F95.4Very high93.4Very high27 Ų2761.3 Ų61.312%0.11833%0.329CS..Hα-helixtrans-62-41.4177.6-176.1-102000112.3G782 L783 A788 T789 L790 V932 L935 A936 F939G782-F786 WeakPolarHBondContact O-CB 3.4Å; G782-F786 PolarHBondContact O-N 3.44Å; L783-F786 PolarHBondContact O-N 2.65Å; F786-A788 VanDerWaalsContact C-N 3.34Å; F786-T789 VanDerWaalsContact CA-OG1 3.32Å; F786-T789 WeakPolarHBondContact CA-OG1 3.41Å; F786-T789 PolarHBondContact O-N 2.97Å; F786-T789 PolarHBondContact O-OG1 3.26Å; F786-L790 HydrophobicContact CD1-CD1 4.04Å; F786-L790 HydrophobicContact CE1-CD1 3.62Å; F786-L790 HydrophobicContact CE1-CG 4.22Å; F786-L790 HydrophobicContact CZ-CD1 4.21Å; F786-L790 HydrophobicContact CZ-CD2 4.46Å; F786-L790 HydrophobicContact CZ-CG 4.44Å; F786-L790 WeakPolarHBondContact O-CG 3.24Å; F786-L790 PolarHBondContact O-N 3.45Å; F786-V932 HydrophobicContact CB-CG1 3.9Å; F786-V932 HydrophobicContact CG-CG1 4.39Å; F786-L935 HydrophobicContact CE2-CD2 4.15Å; F786-L935 HydrophobicContact CE2-CG 4.04Å; F786-L935 HydrophobicContact CZ-CD2 4.35Å; F786-A936 HydrophobicContact CD2-CB 3.91Å; F786-F939 AromaticContact CE2-CD2 3.65Å; F786-F939 HydrophobicContact CE2-CD2 3.65Å; F786-F939 AromaticContact CE2-CE2 3.99Å; F786-F939 HydrophobicContact CE2-CE2 3.99Å; F786-F939 HydrophobicContact CE2-CG 4.09Å; F786-F939 HydrophobicContact CZ-CD1 4.5Å; F786-F939 AromaticContact CZ-CD2 3.77Å; F786-F939 HydrophobicContact CZ-CD2 3.77Å; F786-F939 HydrophobicContact CZ-CE1 4.42Å; F786-F939 AromaticContact CZ-CE2 3.67Å; F786-F939 HydrophobicContact CZ-CE2 3.67Å; F786-F939 HydrophobicContact CZ-CG 4.19Å; F786-F939 HydrophobicContact CZ-CZ 4.03Å
787M96.3Very high93.6Very high120 Ų12060.1 Ų60.159%0.59132%0.323SS*.Hα-helixtrans-66.7-36.4174.1-64.1-65.1-87.200111.6L783 L784 L785 L790 V791L783-M787 VanDerWaalsContact O-CG 3.24Å; L783-M787 WeakPolarHBondContact O-CG 3.41Å; L783-M787 PolarHBondContact O-N 3.18Å; L784-M787 PolarHBondContact O-N 3.42Å; L785-M787 PolarHBondContact O-N 2.89Å; M787-L790 PolarHBondContact O-N 3.44Å; M787-L790 HydrophobicContact SD-CD1 4.26Å; M787-V791 WeakPolarHBondContact O-CG2 3.47Å; M787-V791 PolarHBondContact O-N 2.87Å; M787-V791 VanDerWaalsContact O-N 3.13Å
788A96.2Very high93.7Very high61 Ų6157.7 Ų57.750%0.50432%0.316SS..Hα-helixtrans-64.1-39.4173.100000112.3L784 L785 F786 V791 A792L784-A788 PolarHBondContact O-N 3.23Å; L785-A788 WeakPolarHBondContact O-CB 3.33Å; L785-A788 PolarHBondContact O-N 3.15Å; L785-A788 VanDerWaalsContact O-N 3.15Å; F786-A788 VanDerWaalsContact C-N 3.34Å; A788-V791 PolarHBondContact O-N 3.01Å; A788-A792 PolarHBondContact O-N 3.44Å
789T95.9Very high93.7Very high5 Ų559.2 Ų59.23%0.03132%0.321CS..Hα-helixtrans-64.7-42.1173.445.60000112.3L785 F786 V791 A792 M793 T816 L820 A936L785-T789 HydrophobicContact CD2-CG2 4.47Å; L785-T789 PolarHBondContact O-N 3.47Å; L785-T789 PolarHBondContact O-OG1 3Å; F786-T789 VanDerWaalsContact CA-OG1 3.32Å; F786-T789 WeakPolarHBondContact CA-OG1 3.41Å; F786-T789 PolarHBondContact O-N 2.97Å; F786-T789 PolarHBondContact O-OG1 3.26Å; T789-V791 VanDerWaalsContact C-N 3.26Å; T789-V791 PolarHBondContact O-N 3.49Å; T789-A792 PolarHBondContact O-N 3.05Å; T789-A792 VanDerWaalsContact O-N 3.15Å; T789-M793 WeakPolarHBondContact O-CB 3.2Å; T789-M793 VanDerWaalsContact O-CG 3.3Å; T789-M793 WeakPolarHBondContact O-CG 3.21Å; T789-M793 PolarHBondContact O-N 2.93Å; T789-T816 HydrophobicContact CG2-CG2 4.17Å; T789-L820 HydrophobicContact CG2-CD1 3.74Å; T789-L820 HydrophobicContact CG2-CD2 3.61Å; T789-L820 HydrophobicContact CG2-CG 4.11Å; T789-A936 HydrophobicContact CG2-CB 4.26Å
790L94.8Very high93.5Very high57 Ų5757.3 Ų57.330%0.29831%0.311SS..Hα-helixtrans-62.1-32.9176.5-68.5177.4000112.7F786 M787 S794 F939F786-L790 HydrophobicContact CD1-CD1 4.04Å; F786-L790 HydrophobicContact CE1-CD1 3.62Å; F786-L790 HydrophobicContact CE1-CG 4.22Å; F786-L790 HydrophobicContact CZ-CD1 4.21Å; F786-L790 HydrophobicContact CZ-CD2 4.46Å; F786-L790 HydrophobicContact CZ-CG 4.44Å; F786-L790 WeakPolarHBondContact O-CG 3.24Å; F786-L790 PolarHBondContact O-N 3.45Å; M787-L790 PolarHBondContact O-N 3.44Å; M787-L790 HydrophobicContact SD-CD1 4.26Å; L790-S794 WeakPolarHBondContact O-CB 3.38Å; L790-S794 PolarHBondContact O-N 3.17Å; L790-S794 PolarHBondContact O-OG 3.27Å; L790-F939 HydrophobicContact CD2-CD1 4.05Å; L790-F939 HydrophobicContact CD2-CE1 4.43Å
791V95.8Very high93.1Very high91 Ų9154.4 Ų54.455%0.55231%0.305SS*.Hα-helixtrans-70.8-44.3172.9173.10000111.4M787 A788 T789 M793 S794 L795M787-V791 WeakPolarHBondContact O-CG2 3.47Å; M787-V791 PolarHBondContact O-N 2.87Å; M787-V791 VanDerWaalsContact O-N 3.13Å; A788-V791 PolarHBondContact O-N 3.01Å; T789-V791 VanDerWaalsContact C-N 3.26Å; T789-V791 PolarHBondContact O-N 3.49Å; V791-M793 VanDerWaalsContact C-N 3.34Å; V791-M793 PolarHBondContact O-N 3.22Å; V791-S794 PolarHBondContact O-N 3.5Å; V791-L795 HydrophobicContact CG1-CD1 4.28Å; V791-L795 WeakPolarHBondContact O-CG 3.41Å; V791-L795 PolarHBondContact O-N 2.89Å
792A95.1Very high92.6Very high16 Ų1656.3 Ų56.313%0.13231%0.306CS..Hα-helixtrans-60.1-43.5175.600000111.9A788 T789 L795 F796 T816A788-A792 PolarHBondContact O-N 3.44Å; T789-A792 PolarHBondContact O-N 3.05Å; T789-A792 VanDerWaalsContact O-N 3.15Å; A792-L795 WeakPolarHBondContact O-CB 3.24Å; A792-L795 PolarHBondContact O-N 3.31Å; A792-F796 PolarHBondContact O-N 3.33Å; A792-T816 HydrophobicContact CB-CG2 4.16Å
793M92.7Very high91.9Very high11 Ų1164.2 Ų64.25%0.05434%0.336CS..Hα-helixtrans-61.5-45.3174.9-72.9-16769.300112.7T789 V791 L795 F796 F797 F939 V940 F943 E944T789-M793 WeakPolarHBondContact O-CB 3.2Å; T789-M793 VanDerWaalsContact O-CG 3.3Å; T789-M793 WeakPolarHBondContact O-CG 3.21Å; T789-M793 PolarHBondContact O-N 2.93Å; V791-M793 VanDerWaalsContact C-N 3.34Å; V791-M793 PolarHBondContact O-N 3.22Å; M793-L795 PolarHBondContact O-N 3.34Å; M793-F796 WeakPolarHBondContact O-CB 3.32Å; M793-F796 PolarHBondContact O-N 2.62Å; M793-F796 VanDerWaalsContact O-N 3.13Å; M793-F797 HydrophobicContact CE-CE2 4.2Å; M793-F797 WeakPolarHBondContact O-CD2 3.49Å; M793-F797 PolarHBondContact O-N 3.41Å; M793-F797 VanDerWaalsContact O-N 3.09Å; M793-F939 HydrophobicContact SD-CB 4.37Å; M793-V940 HydrophobicContact CG-CG2 4.13Å; M793-V940 HydrophobicContact SD-CG2 3.95Å; M793-F943 HydrophobicContact CE-CB 3.61Å; M793-F943 HydrophobicContact CE-CD2 4.06Å; M793-F943 HydrophobicContact CE-CG 4.28Å; M793-E944 WeakPolarHBondContact CA-OE1 3.42Å; M793-E944 WeakPolarHBondContact CB-OE1 3.27Å; M793-E944 HydrophobicContact CE-CG 3.37Å; M793-E944 HydrophobicContact CG-CG 4.25Å; M793-E944 WeakPolarHBondContact CG-OE1 3.41Å; M793-E944 HydrophobicContact SD-CG 4.45Å
794S92.4Very high91.4Very high69 Ų6967.9 Ų67.948%0.48336%0.356SS..Hα-helixtrans-58-39.3175.7-590000111.3L790 V791 I798L790-S794 WeakPolarHBondContact O-CB 3.38Å; L790-S794 PolarHBondContact O-N 3.17Å; L790-S794 PolarHBondContact O-OG 3.27Å; V791-S794 PolarHBondContact O-N 3.5Å; S794-I798 VanDerWaalsContact O-CD1 3.29Å; S794-I798 WeakPolarHBondContact O-CD1 3.47Å; S794-I798 WeakPolarHBondContact O-CG1 3.2Å; S794-I798 PolarHBondContact O-N 3.34Å
795L93.4Very high91Very high69 Ų6965.4 Ų65.436%0.36134%0.337SS..Hα-helixtrans-70.6-37.2175.8-69.2170.4000112.8V791 A792 M793 I798 F799 L812V791-L795 HydrophobicContact CG1-CD1 4.28Å; V791-L795 WeakPolarHBondContact O-CG 3.41Å; V791-L795 PolarHBondContact O-N 2.89Å; A792-L795 WeakPolarHBondContact O-CB 3.24Å; A792-L795 PolarHBondContact O-N 3.31Å; M793-L795 PolarHBondContact O-N 3.34Å; L795-I798 PolarHBondContact O-N 3.29Å; L795-F799 HydrophobicContact CB-CZ 4.44Å; L795-F799 HydrophobicContact CD2-CE1 4.26Å; L795-F799 HydrophobicContact CD2-CZ 4.2Å; L795-F799 WeakPolarHBondContact O-CB 3.47Å; L795-F799 VanDerWaalsContact O-CD1 3.28Å; L795-F799 WeakPolarHBondContact O-CD1 3.35Å; L795-F799 WeakPolarHBondContact O-CG 3.36Å; L795-F799 PolarHBondContact O-N 3.34Å; L795-L812 HydrophobicContact CB-CD2 3.65Å
796F91.9Very high90.4Very high0 Ų067.5 Ų67.50%034%0.343CS..Hα-helixtrans-56.8-52.3173.3168.8-97.2000111.1A792 M793 I798 F799 I800 A809 E944 H947 A948A792-F796 PolarHBondContact O-N 3.33Å; M793-F796 WeakPolarHBondContact O-CB 3.32Å; M793-F796 PolarHBondContact O-N 2.62Å; M793-F796 VanDerWaalsContact O-N 3.13Å; F796-I798 VanDerWaalsContact C-N 3.32Å; F796-I798 PolarHBondContact O-N 2.94Å; F796-F799 CarbonylContact O-C 3.57Å; F796-F799 PolarHBondContact O-N 3.32Å; F796-I800 HydrophobicContact CE1-CB 4.48Å; F796-I800 HydrophobicContact CE1-CG2 4.31Å; F796-I800 HydrophobicContact CE2-CB 4.38Å; F796-I800 HydrophobicContact CE2-CD1 4.17Å; F796-I800 HydrophobicContact CE2-CG1 4.42Å; F796-I800 HydrophobicContact CZ-CB 4.22Å; F796-I800 HydrophobicContact CZ-CD1 4.22Å; F796-I800 HydrophobicContact CZ-CG1 4.11Å; F796-I800 PolarHBondContact O-N 3.44Å; F796-A809 HydrophobicContact CD2-CB 3.88Å; F796-A809 WeakPolarHBondContact CD2-O 3.18Å; F796-A809 HydrophobicContact CE2-CB 4.1Å; F796-E944 VanDerWaalsContact CB-OE1 3.3Å; F796-E944 WeakPolarHBondContact CB-OE1 3.44Å; F796-E944 HydrophobicContact CD1-CB 4.36Å; F796-E944 HydrophobicContact CD1-CG 4.19Å; F796-E944 WeakPolarHBondContact CD1-OE1 3.45Å; F796-E944 HydrophobicContact CE1-CB 4.17Å; F796-E944 HydrophobicContact CE1-CG 4.42Å; F796-E944 WeakPolarHBondContact CG-OE1 3.43Å; F796-H947 HydrophobicContact CE1-CB 3.82Å; F796-H947 HydrophobicContact CZ-CB 3.76Å; F796-A948 HydrophobicContact CE2-CB 3.97Å; F796-A948 HydrophobicContact CZ-CB 3.93Å
797F88Confident90Very high56 Ų5671.7 Ų71.725%0.24637%0.367CS..Hα-helixtrans-61.3-37.3177.9-75.4-68.5000112.9M793 F799 V801 F943 E944 H947M793-F797 HydrophobicContact CE-CE2 4.2Å; M793-F797 WeakPolarHBondContact O-CD2 3.49Å; M793-F797 PolarHBondContact O-N 3.41Å; M793-F797 VanDerWaalsContact O-N 3.09Å; F797-F799 VanDerWaalsContact C-N 3.25Å; F797-F799 PolarHBondContact O-N 2.67Å; F797-V801 WeakPolarHBondContact O-CG2 3.03Å; F797-F943 HydrophobicContact CE2-CB 4.43Å; F797-F943 HydrophobicContact CZ-CB 4.22Å; F797-E944 HydrophobicContact CE2-CG 4.48Å; F797-H947 AromaticContact CE1-ND1 3.86Å
798I90.9Very high89.7Confident98 Ų9869.4 Ų69.450%0.50336%0.359SS..Hα-helixtrans-69-22174.6-66.8164.9000112.5S794 L795 F796S794-I798 VanDerWaalsContact O-CD1 3.29Å; S794-I798 WeakPolarHBondContact O-CD1 3.47Å; S794-I798 WeakPolarHBondContact O-CG1 3.2Å; S794-I798 PolarHBondContact O-N 3.34Å; L795-I798 PolarHBondContact O-N 3.29Å; F796-I798 VanDerWaalsContact C-N 3.32Å; F796-I798 PolarHBondContact O-N 2.94Å
799F90.6Very high89.4Confident36 Ų3666.5 Ų66.516%0.15834%0.335CS..Hα-helixtrans-97.1-37.5-177.8-67.52.8000112.6L795 F796 F797 V801 K802 T808 A809 L812L795-F799 HydrophobicContact CB-CZ 4.44Å; L795-F799 HydrophobicContact CD2-CE1 4.26Å; L795-F799 HydrophobicContact CD2-CZ 4.2Å; L795-F799 WeakPolarHBondContact O-CB 3.47Å; L795-F799 VanDerWaalsContact O-CD1 3.28Å; L795-F799 WeakPolarHBondContact O-CD1 3.35Å; L795-F799 WeakPolarHBondContact O-CG 3.36Å; L795-F799 PolarHBondContact O-N 3.34Å; F796-F799 CarbonylContact O-C 3.57Å; F796-F799 PolarHBondContact O-N 3.32Å; F797-F799 VanDerWaalsContact C-N 3.25Å; F797-F799 PolarHBondContact O-N 2.67Å; F799-V801 PolarHBondContact O-N 3.49Å; F799-K802 PolarHBondContact O-N 3.38Å; F799-T808 HydrophobicContact CD2-CG2 4.05Å; F799-T808 HydrophobicContact CE2-CG2 4.18Å; F799-A809 HydrophobicContact CB-CB 3.62Å; F799-L812 HydrophobicContact CD2-CD2 4.2Å; F799-L812 HydrophobicContact CE2-CD2 4.21Å
800I86.3Confident89.1Confident28 Ų2866.9 Ų66.914%0.14434%0.337CS..Hα-helixtrans-67-34.3-176.7-162.268.6000112.6F796 K802 R806 A809 I810F796-I800 HydrophobicContact CE1-CB 4.48Å; F796-I800 HydrophobicContact CE1-CG2 4.31Å; F796-I800 HydrophobicContact CE2-CB 4.38Å; F796-I800 HydrophobicContact CE2-CD1 4.17Å; F796-I800 HydrophobicContact CE2-CG1 4.42Å; F796-I800 HydrophobicContact CZ-CB 4.22Å; F796-I800 HydrophobicContact CZ-CD1 4.22Å; F796-I800 HydrophobicContact CZ-CG1 4.11Å; F796-I800 PolarHBondContact O-N 3.44Å; I800-K802 VanDerWaalsContact C-N 3.29Å; I800-K802 PolarHBondContact O-N 2.92Å; I800-R806 HydrophobicContact CD1-CB 4.47Å; I800-R806 HydrophobicContact CD1-CG 4.32Å; I800-R806 VanDerWaalsContact O-CG 3.32Å; I800-R806 WeakPolarHBondContact O-CG 3.5Å; I800-R806 PolarHBondContact O-NE 3.03Å; I800-A809 HydrophobicContact CB-CB 3.98Å; I800-A809 HydrophobicContact CD1-CB 3.97Å; I800-I810 HydrophobicContact CD1-CG1 4.45Å
801V83.1Confident88.9Confident78 Ų7867.6 Ų67.647%0.47334%0.344SS..SBendtrans-63.4-34.5175.1174.60000111.6I640 F797 F799 R803I640-V801 HydrophobicContact CD1-CG1 3.89Å; F797-V801 WeakPolarHBondContact O-CG2 3.03Å; F799-V801 PolarHBondContact O-N 3.49Å; V801-R803 PolarHBondContact O-N 3.35Å
802K85.3Confident88.8Confident123 Ų12365.6 Ų65.654%0.53533%0.33SS..SBendtrans-83.6107.2179.8-61.9-158.1179.1-163.40110.2F799 I800 D804 R805 R806F799-K802 PolarHBondContact O-N 3.38Å; I800-K802 VanDerWaalsContact C-N 3.29Å; I800-K802 PolarHBondContact O-N 2.92Å; K802-D804 PolarHBondContact O-N 3.31Å; K802-D804 VanDerWaalsContact O-N 3.08Å; K802-R805 HydrophobicContact CB-CB 4.45Å; K802-R805 PolarHBondContact O-N 2.84Å; K802-R806 PolarHBondContact O-N 3.38Å
803R79.8Confident88.7Confident167 Ų16764.9 Ų64.963%0.6332%0.324SS*.G310 helixtrans-43.2-47.1-178.2-169.1178.5-17481.70.4113.8E633 V801 R805E633-R803 VanDerWaalsContact CD-NH1 3.34Å; E633-R803 IonicContact OE1-NH1 3.95Å; E633-R803 IonicContact OE2-CZ 2.85Å; E633-R803 IonicContact OE2-NH1 2.84Å; E633-R803 PolarHBondContact OE2-NH1 2.78Å; E633-R803 IonicContact OE2-NH2 3.11Å; V801-R803 PolarHBondContact O-N 3.35Å; R803-R805 VanDerWaalsContact C-N 3.31Å; R803-R805 PolarHBondContact O-N 3.33Å
804D84.3Confident88.7Confident151 Ų15164.4 Ų64.481%0.80732%0.321SS*.G310 helixtrans-59.7-31.8177.9-178.364.1000114.4K802K802-D804 PolarHBondContact O-N 3.31Å; K802-D804 VanDerWaalsContact O-N 3.08Å
805R86.4Confident88.7Confident78 Ų7862.6 Ų62.629%0.29431%0.314SS..G310 helixtrans-107.39.6-174.5-57.1-162.2-55.9-179.71.3114.7K802 R803 N807 T808 A809K802-R805 HydrophobicContact CB-CB 4.45Å; K802-R805 PolarHBondContact O-N 2.84Å; R803-R805 VanDerWaalsContact C-N 3.31Å; R803-R805 PolarHBondContact O-N 3.33Å; R805-N807 VanDerWaalsContact C-N 3.29Å; R805-N807 PolarHBondContact O-N 3.42Å; R805-T808 WeakPolarHBondContact O-CA 3.26Å; R805-T808 VanDerWaalsContact O-CB 3.31Å; R805-T808 WeakPolarHBondContact O-CB 3.48Å; R805-T808 PolarHBondContact O-N 3.1Å; R805-A809 PolarHBondContact O-N 3.42Å
806R84.9Confident88.8Confident76 Ų7660.2 Ų60.229%0.28730%0.303SS..Hα-helixtrans-55.4-41.3176.8-72.2179.8-178.6174.33.9113.1E633 I800 K802 T808 A809 I810E633-R806 IonicContact OE1-CZ 3.76Å; E633-R806 IonicContact OE1-NH1 3.25Å; E633-R806 PolarHBondContact OE1-NH1 3.44Å; E633-R806 IonicContact OE1-NH2 3.81Å; E633-R806 PolarHBondContact OE1-NH2 3.28Å; E633-R806 IonicContact OE2-NH1 3.76Å; I800-R806 HydrophobicContact CD1-CB 4.47Å; I800-R806 HydrophobicContact CD1-CG 4.32Å; I800-R806 VanDerWaalsContact O-CG 3.32Å; I800-R806 WeakPolarHBondContact O-CG 3.5Å; I800-R806 PolarHBondContact O-NE 3.03Å; K802-R806 PolarHBondContact O-N 3.38Å; R806-T808 VanDerWaalsContact C-N 3.29Å; R806-T808 PolarHBondContact O-N 3.43Å; R806-A809 WeakPolarHBondContact O-CB 3.23Å; R806-A809 PolarHBondContact O-N 3.47Å; R806-I810 WeakPolarHBondContact O-CG1 3.25Å; R806-I810 PolarHBondContact O-N 2.96Å
807N85.6Confident88.9Confident115 Ų11560.2 Ų60.262%0.61530%0.303SS*.Hα-helixtrans-64-35.3176.2-68.6-20.2000112.1R805 T811R805-N807 VanDerWaalsContact C-N 3.29Å; R805-N807 PolarHBondContact O-N 3.42Å; N807-T811 WeakPolarHBondContact O-CB 3.4Å; N807-T811 PolarHBondContact O-N 3.13Å; N807-T811 PolarHBondContact O-OG1 3.35Å
808T89.8Confident89.3Confident72 Ų7258.9 Ų58.944%0.44230%0.298SS..Hα-helixtrans-69-39.6173.3-45.30000111.5F799 R805 R806 T811 L812F799-T808 HydrophobicContact CD2-CG2 4.05Å; F799-T808 HydrophobicContact CE2-CG2 4.18Å; R805-T808 WeakPolarHBondContact O-CA 3.26Å; R805-T808 VanDerWaalsContact O-CB 3.31Å; R805-T808 WeakPolarHBondContact O-CB 3.48Å; R805-T808 PolarHBondContact O-N 3.1Å; R806-T808 VanDerWaalsContact C-N 3.29Å; R806-T808 PolarHBondContact O-N 3.43Å; T808-T811 PolarHBondContact O-N 3.28Å; T808-L812 WeakPolarHBondContact O-CB 3.19Å; T808-L812 PolarHBondContact O-N 2.94Å
809A90.7Very high89.5Confident0 Ų058.5 Ų58.50%030%0.3CS..Hα-helixtrans-59.8-52.3174.500000111.3F796 F799 I800 R805 R806 T811 L812 Y813F796-A809 HydrophobicContact CD2-CB 3.88Å; F796-A809 WeakPolarHBondContact CD2-O 3.18Å; F796-A809 HydrophobicContact CE2-CB 4.1Å; F799-A809 HydrophobicContact CB-CB 3.62Å; I800-A809 HydrophobicContact CB-CB 3.98Å; I800-A809 HydrophobicContact CD1-CB 3.97Å; R805-A809 PolarHBondContact O-N 3.42Å; R806-A809 WeakPolarHBondContact O-CB 3.23Å; R806-A809 PolarHBondContact O-N 3.47Å; A809-T811 VanDerWaalsContact C-N 3.3Å; A809-T811 PolarHBondContact O-N 3.02Å; A809-L812 WeakPolarHBondContact O-CB 3.2Å; A809-L812 PolarHBondContact O-N 3.48Å; A809-L812 VanDerWaalsContact O-N 3.11Å; A809-Y813 PolarHBondContact O-N 3.06Å
810I89.6Confident89.8Confident13 Ų1357 Ų577%0.06729%0.293CS..Hα-helixtrans-60-41.1177.9-65.6168.7000110.9I800 R806 L812 Y813 Q814 Y886 H951I800-I810 HydrophobicContact CD1-CG1 4.45Å; R806-I810 WeakPolarHBondContact O-CG1 3.25Å; R806-I810 PolarHBondContact O-N 2.96Å; I810-L812 VanDerWaalsContact C-N 3.34Å; I810-L812 PolarHBondContact O-N 3.39Å; I810-Y813 PolarHBondContact O-N 3.28Å; I810-Q814 HydrophobicContact CG2-CG 4.23Å; I810-Q814 WeakPolarHBondContact O-CB 3.33Å; I810-Q814 VanDerWaalsContact O-CG 3.22Å; I810-Q814 WeakPolarHBondContact O-CG 3.3Å; I810-Q814 PolarHBondContact O-N 2.99Å; I810-Y886 HydrophobicContact CG2-CE2 4.48Å; I810-Y886 WeakPolarHBondContact CG2-OH 3.08Å; I810-H951 WeakPolarHBondContact CD1-ND1 3.42Å
811T91.4Very high90.4Very high72 Ų7255.6 Ų55.644%0.44229%0.286SS..Hα-helixtrans-64.7-37.4176.5-55.20000112.1N807 T808 A809 G815 L885N807-T811 WeakPolarHBondContact O-CB 3.4Å; N807-T811 PolarHBondContact O-N 3.13Å; N807-T811 PolarHBondContact O-OG1 3.35Å; T808-T811 PolarHBondContact O-N 3.28Å; A809-T811 VanDerWaalsContact C-N 3.3Å; A809-T811 PolarHBondContact O-N 3.02Å; T811-G815 PolarHBondContact O-N 2.84Å; T811-L885 HydrophobicContact CG2-CD1 4.29Å
812L93Very high91Very high50 Ų5054.4 Ų54.426%0.26228%0.281SS..Hα-helixtrans-68-44.3176.2176.563.6000112.1L795 F799 T808 A809 I810 T816L795-L812 HydrophobicContact CB-CD2 3.65Å; F799-L812 HydrophobicContact CD2-CD2 4.2Å; F799-L812 HydrophobicContact CE2-CD2 4.21Å; T808-L812 WeakPolarHBondContact O-CB 3.19Å; T808-L812 PolarHBondContact O-N 2.94Å; A809-L812 WeakPolarHBondContact O-CB 3.2Å; A809-L812 PolarHBondContact O-N 3.48Å; A809-L812 VanDerWaalsContact O-N 3.11Å; I810-L812 VanDerWaalsContact C-N 3.34Å; I810-L812 PolarHBondContact O-N 3.39Å; L812-T816 WeakPolarHBondContact O-CB 3.48Å; L812-T816 PolarHBondContact O-N 3.09Å; L812-T816 PolarHBondContact O-OG1 3.19Å
813Y92.8Very high91.6Very high1 Ų150.8 Ų50.80%0.00427%0.269CS..Hα-helixtrans-58.8-58174.4166.6-105.7000111A809 I810 G815 T816 E817 K889 V940 E944 V945 A948 D949A809-Y813 PolarHBondContact O-N 3.06Å; I810-Y813 PolarHBondContact O-N 3.28Å; Y813-G815 VanDerWaalsContact C-N 3.27Å; Y813-G815 PolarHBondContact O-N 2.71Å; Y813-T816 WeakPolarHBondContact O-CB 3.35Å; Y813-T816 PolarHBondContact O-N 2.97Å; Y813-E817 HydrophobicContact CE2-CG 3.9Å; Y813-E817 PolarHBondContact O-N 3.47Å; Y813-K889 VanDerWaalsContact OH-CE 3.27Å; Y813-K889 WeakPolarHBondContact OH-CE 3.3Å; Y813-V940 HydrophobicContact CD2-CG1 4.11Å; Y813-V940 HydrophobicContact CE2-CG1 3.56Å; Y813-E944 HydrophobicContact CD2-CB 3.69Å; Y813-E944 HydrophobicContact CD2-CG 4.48Å; Y813-E944 WeakPolarHBondContact CD2-OE2 3.4Å; Y813-E944 HydrophobicContact CE2-CB 3.7Å; Y813-V945 WeakPolarHBondContact OH-CG2 3.39Å; Y813-A948 HydrophobicContact CD1-CB 3.23Å; Y813-A948 HydrophobicContact CD2-CB 4.22Å; Y813-A948 HydrophobicContact CE1-CB 3.54Å; Y813-A948 HydrophobicContact CE2-CB 4.47Å; Y813-A948 HydrophobicContact CG-CB 3.63Å; Y813-D949 WeakPolarHBondContact CE1-OD1 3.13Å
814Q92.9Very high92.4Very high0 Ų042.9 Ų42.90%024%0.239CC..Hα-helixtrans-59.3-38.2-179.5-66.7-71.2-37.800111.8I810 L818 L885 D949I810-Q814 HydrophobicContact CG2-CG 4.23Å; I810-Q814 WeakPolarHBondContact O-CB 3.33Å; I810-Q814 VanDerWaalsContact O-CG 3.22Å; I810-Q814 WeakPolarHBondContact O-CG 3.3Å; I810-Q814 PolarHBondContact O-N 2.99Å; Q814-L818 WeakPolarHBondContact O-CB 3.32Å; Q814-L818 WeakPolarHBondContact O-CD1 3.24Å; Q814-L818 WeakPolarHBondContact O-CG 3.41Å; Q814-L818 PolarHBondContact O-N 2.68Å; Q814-L885 HydrophobicContact CB-CB 4.02Å; Q814-L885 HydrophobicContact CB-CD1 4.18Å; Q814-L885 HydrophobicContact CG-CB 4.22Å; Q814-D949 PolarHBondContact NE2-OD1 3.36Å
815G93.1Very high93Very high32 Ų3237 Ų3733%0.3321%0.209SC..Hα-helixtrans-66.6-37.4174.900000113.5T811 Y813 V819T811-G815 PolarHBondContact O-N 2.84Å; Y813-G815 VanDerWaalsContact C-N 3.27Å; Y813-G815 PolarHBondContact O-N 2.71Å; G815-V819 WeakPolarHBondContact O-CG2 3.31Å; G815-V819 PolarHBondContact O-N 2.9Å
816T94.7Very high93.4Very high19 Ų1937.1 Ų37.112%0.11722%0.218CC..Hα-helixtrans-66.9-48.9176.5-58.50000110.4T789 A792 L812 Y813 L818 V819 L820T789-T816 HydrophobicContact CG2-CG2 4.17Å; A792-T816 HydrophobicContact CB-CG2 4.16Å; L812-T816 WeakPolarHBondContact O-CB 3.48Å; L812-T816 PolarHBondContact O-N 3.09Å; L812-T816 PolarHBondContact O-OG1 3.19Å; Y813-T816 WeakPolarHBondContact O-CB 3.35Å; Y813-T816 PolarHBondContact O-N 2.97Å; T816-L818 PolarHBondContact O-N 2.72Å; T816-V819 PolarHBondContact O-N 3.01Å; T816-L820 HydrophobicContact CG2-CD1 4.1Å; T816-L820 WeakPolarHBondContact O-CG 3.48Å; T816-L820 PolarHBondContact O-N 3.36Å
817E94.1Very high93.9Very high0 Ų033.9 Ų33.90%021%0.207CC..Hα-helixtrans-59.3-47.8176.6-85.9-58.9110.100112.5Y813 V819 L820 L821 V940Y813-E817 HydrophobicContact CE2-CG 3.9Å; Y813-E817 PolarHBondContact O-N 3.47Å; E817-V819 PolarHBondContact O-N 2.86Å; E817-L820 PolarHBondContact O-N 3.02Å; E817-L820 VanDerWaalsContact O-N 3.07Å; E817-L820 WeakPolarHBondContact OE1-CD1 3.4Å; E817-L821 WeakPolarHBondContact O-CB 3.3Å; E817-L821 VanDerWaalsContact O-CG 3.26Å; E817-L821 WeakPolarHBondContact O-CG 3.34Å; E817-L821 PolarHBondContact O-N 3.3Å; E817-V940 HydrophobicContact CG-CG1 4.04Å; E817-V940 VanDerWaalsContact OE1-CG1 3.28Å; E817-V940 WeakPolarHBondContact OE1-CG1 3.44Å
818L95.8Very high94.4Very high27 Ų2728.4 Ų28.414%0.14118%0.178CC..Hα-helixtrans-58.7-34.6177.2-73.3167.3000112.7Q814 T816 S822 L885 A888 M892Q814-L818 WeakPolarHBondContact O-CB 3.32Å; Q814-L818 WeakPolarHBondContact O-CD1 3.24Å; Q814-L818 WeakPolarHBondContact O-CG 3.41Å; Q814-L818 PolarHBondContact O-N 2.68Å; T816-L818 PolarHBondContact O-N 2.72Å; L818-S822 WeakPolarHBondContact O-CB 3.4Å; L818-S822 PolarHBondContact O-N 2.91Å; L818-S822 VanDerWaalsContact O-N 3.1Å; L818-S822 PolarHBondContact O-OG 3.5Å; L818-L885 HydrophobicContact CD1-CD2 3.9Å; L818-A888 HydrophobicContact CD2-CB 3.97Å; L818-M892 HydrophobicContact CD2-CE 3.65Å; L818-M892 HydrophobicContact CD2-SD 4.02Å
819V96.2Very high94.6Very high90 Ų9028.5 Ų28.555%0.54518%0.175SC..Hα-helixtrans-69.9-45.1173.7168.90000111.2G815 T816 E817 S822 V823G815-V819 WeakPolarHBondContact O-CG2 3.31Å; G815-V819 PolarHBondContact O-N 2.9Å; T816-V819 PolarHBondContact O-N 3.01Å; E817-V819 PolarHBondContact O-N 2.86Å; V819-S822 PolarHBondContact O-N 3.47Å; V819-V823 HydrophobicContact CG1-CG2 4.46Å; V819-V823 WeakPolarHBondContact O-CB 3.45Å; V819-V823 VanDerWaalsContact O-CG2 3.3Å; V819-V823 WeakPolarHBondContact O-CG2 3.44Å; V819-V823 PolarHBondContact O-N 3.13Å
820L97.1Very high94.8Very high4 Ų431.7 Ų31.72%0.02119%0.192CC..Hα-helixtrans-63.6-47.9179.3-66.9173.2000112.1L785 T789 T816 E817 S822 V823 S824 L933 A936 M937 V940L785-L820 HydrophobicContact CD1-CD2 4.45Å; L785-L820 HydrophobicContact CD2-CD2 3.64Å; L785-L820 HydrophobicContact CG-CD2 4.29Å; T789-L820 HydrophobicContact CG2-CD1 3.74Å; T789-L820 HydrophobicContact CG2-CD2 3.61Å; T789-L820 HydrophobicContact CG2-CG 4.11Å; T816-L820 HydrophobicContact CG2-CD1 4.1Å; T816-L820 WeakPolarHBondContact O-CG 3.48Å; T816-L820 PolarHBondContact O-N 3.36Å; E817-L820 PolarHBondContact O-N 3.02Å; E817-L820 VanDerWaalsContact O-N 3.07Å; E817-L820 WeakPolarHBondContact OE1-CD1 3.4Å; L820-S822 VanDerWaalsContact C-N 3.34Å; L820-S822 PolarHBondContact O-N 3.3Å; L820-V823 PolarHBondContact O-N 3.48Å; L820-S824 WeakPolarHBondContact O-CB 3.27Å; L820-S824 PolarHBondContact O-N 2.92Å; L820-L933 HydrophobicContact CD2-CD1 3.68Å; L820-A936 HydrophobicContact CD2-CB 4.39Å; L820-M937 HydrophobicContact CB-CG 3.91Å; L820-M937 HydrophobicContact CB-SD 4.36Å; L820-M937 HydrophobicContact CD1-CG 4.19Å; L820-V940 HydrophobicContact CD1-CG2 4.18Å
821L97.2Very high94.9Very high0 Ų031.1 Ų31.10%019%0.189CC..Hα-helixtrans-61.9-40.3177-65.2170.9000111.5E817 S824 T825 K889 M892 E893 Q896 M937E817-L821 WeakPolarHBondContact O-CB 3.3Å; E817-L821 VanDerWaalsContact O-CG 3.26Å; E817-L821 WeakPolarHBondContact O-CG 3.34Å; E817-L821 PolarHBondContact O-N 3.3Å; L821-S824 PolarHBondContact O-N 2.85Å; L821-T825 WeakPolarHBondContact O-CB 3.4Å; L821-T825 PolarHBondContact O-N 3.32Å; L821-T825 PolarHBondContact O-OG1 3.15Å; L821-K889 HydrophobicContact CD1-CG 4.49Å; L821-M892 HydrophobicContact CB-CG 3.86Å; L821-M892 HydrophobicContact CB-SD 3.65Å; L821-M892 HydrophobicContact CD1-CB 4.39Å; L821-E893 HydrophobicContact CD1-CB 3.86Å; L821-E893 HydrophobicContact CD1-CG 4.39Å; L821-E893 HydrophobicContact CD2-CB 4.2Å; L821-E893 HydrophobicContact CD2-CG 4.05Å; L821-Q896 HydrophobicContact CD2-CB 4.11Å; L821-Q896 HydrophobicContact CD2-CG 4.05Å; L821-M937 HydrophobicContact CD2-SD 4.2Å
822S96.6Very high94.8Very high53 Ų5328.9 Ų28.937%0.37117%0.174SC..Hα-helixtrans-62.7-51.4174.9-66.80000112.2L818 V819 L820 S824 T825 V826 M892L818-S822 WeakPolarHBondContact O-CB 3.4Å; L818-S822 PolarHBondContact O-N 2.91Å; L818-S822 VanDerWaalsContact O-N 3.1Å; L818-S822 PolarHBondContact O-OG 3.5Å; V819-S822 PolarHBondContact O-N 3.47Å; L820-S822 VanDerWaalsContact C-N 3.34Å; L820-S822 PolarHBondContact O-N 3.3Å; S822-S824 VanDerWaalsContact C-N 3.29Å; S822-S824 PolarHBondContact O-N 3.11Å; S822-T825 PolarHBondContact O-N 2.97Å; S822-V826 WeakPolarHBondContact O-CG2 3.46Å; S822-V826 PolarHBondContact O-N 2.96Å; S822-V826 VanDerWaalsContact O-N 3.09Å; S822-M892 PolarHBondContact OG-SD 3.45Å; S822-M892 VanDerWaalsContact OG-SD 3.37Å
823V97Very high94.6Very high47 Ų4733.1 Ų33.129%0.28519%0.191SC..Hα-helixtrans-64.2-36.4179.3173.40000110.9L785 V819 L820 T827 F929 L933L785-V823 HydrophobicContact CD1-CG1 4.16Å; V819-V823 HydrophobicContact CG1-CG2 4.46Å; V819-V823 WeakPolarHBondContact O-CB 3.45Å; V819-V823 VanDerWaalsContact O-CG2 3.3Å; V819-V823 WeakPolarHBondContact O-CG2 3.44Å; V819-V823 PolarHBondContact O-N 3.13Å; L820-V823 PolarHBondContact O-N 3.48Å; V823-T827 VanDerWaalsContact O-CB 3.3Å; V823-T827 WeakPolarHBondContact O-CB 3.32Å; V823-T827 PolarHBondContact O-N 3.19Å; V823-T827 PolarHBondContact O-OG1 2.85Å; V823-F929 HydrophobicContact CG1-CE1 3.73Å; V823-F929 HydrophobicContact CG1-CZ 3.71Å; V823-L933 HydrophobicContact CB-CD2 4.46Å; V823-L933 HydrophobicContact CG1-CD2 3.9Å
824S96.9Very high94.4Very high0 Ų040.8 Ų40.80%022%0.219CC..Hα-helixtrans-67.8-45.7177-168.70000111.5L820 L821 S822 V826 T827 C828 Q896 L933L820-S824 WeakPolarHBondContact O-CB 3.27Å; L820-S824 PolarHBondContact O-N 2.92Å; L821-S824 PolarHBondContact O-N 2.85Å; S822-S824 VanDerWaalsContact C-N 3.29Å; S822-S824 PolarHBondContact O-N 3.11Å; S824-V826 PolarHBondContact O-N 3.04Å; S824-T827 CarbonylContact O-C 3.45Å; S824-T827 WeakPolarHBondContact O-CB 3.32Å; S824-T827 PolarHBondContact O-N 3.5Å; S824-T827 VanDerWaalsContact O-N 3.1Å; S824-C828 WeakPolarHBondContact O-CB 3.41Å; S824-C828 PolarHBondContact O-N 3.19Å; S824-C828 PolarHBondContact O-SG 2.81Å; S824-C828 VanDerWaalsContact O-SG 3.33Å; S824-Q896 PolarHBondContact OG-NE2 3.02Å; S824-L933 VanDerWaalsContact CA-CD2 3.47Å
825T96.7Very high94Very high27 Ų2740.9 Ų40.917%0.16622%0.22CC..Hα-helixtrans-56.3-49.7175.8-60.40000111.5L821 S822 T827 C828 L829 Q896 L899L821-T825 WeakPolarHBondContact O-CB 3.4Å; L821-T825 PolarHBondContact O-N 3.32Å; L821-T825 PolarHBondContact O-OG1 3.15Å; S822-T825 PolarHBondContact O-N 2.97Å; T825-T827 VanDerWaalsContact C-N 3.31Å; T825-T827 PolarHBondContact O-N 3.45Å; T825-C828 PolarHBondContact O-N 2.96Å; T825-L829 WeakPolarHBondContact O-CG 3.16Å; T825-L829 PolarHBondContact O-N 3.4Å; T825-Q896 WeakPolarHBondContact OG1-CB 3.11Å; T825-Q896 WeakPolarHBondContact OG1-CG 3.44Å; T825-L899 HydrophobicContact CG2-CD2 3.84Å
826V96.2Very high93.4Very high81 Ų8142.9 Ų42.949%0.49122%0.22SC..Hα-helixtrans-61.5-40.3176.3173.40000111.3S822 S824 L829 I830S822-V826 WeakPolarHBondContact O-CG2 3.46Å; S822-V826 PolarHBondContact O-N 2.96Å; S822-V826 VanDerWaalsContact O-N 3.09Å; S824-V826 PolarHBondContact O-N 3.04Å; V826-L829 PolarHBondContact O-N 3.33Å; V826-I830 HydrophobicContact CG1-CD1 3.77Å; V826-I830 HydrophobicContact CG1-CG1 4.49Å; V826-I830 VanDerWaalsContact O-CG1 3.31Å; V826-I830 WeakPolarHBondContact O-CG1 3.5Å; V826-I830 PolarHBondContact O-N 3.35Å
827T95.4Very high92.6Very high8 Ų844.7 Ų44.75%0.04924%0.237CC..Hα-helixtrans-67-40178-59.10000112.4V823 S824 T825 I830 S831 F929 L930V823-T827 VanDerWaalsContact O-CB 3.3Å; V823-T827 WeakPolarHBondContact O-CB 3.32Å; V823-T827 PolarHBondContact O-N 3.19Å; V823-T827 PolarHBondContact O-OG1 2.85Å; S824-T827 CarbonylContact O-C 3.45Å; S824-T827 WeakPolarHBondContact O-CB 3.32Å; S824-T827 PolarHBondContact O-N 3.5Å; S824-T827 VanDerWaalsContact O-N 3.1Å; T825-T827 VanDerWaalsContact C-N 3.31Å; T825-T827 PolarHBondContact O-N 3.45Å; T827-I830 PolarHBondContact O-N 2.77Å; T827-S831 VanDerWaalsContact O-CB 3.24Å; T827-S831 WeakPolarHBondContact O-CB 3.26Å; T827-S831 PolarHBondContact O-N 2.77Å; T827-S831 PolarHBondContact O-OG 2.91Å; T827-F929 HydrophobicContact CG2-CD1 3.75Å; T827-F929 HydrophobicContact CG2-CE1 4.37Å; T827-F929 WeakPolarHBondContact OG1-CE1 3.11Å; T827-L930 HydrophobicContact CG2-CB 3.83Å; T827-L930 HydrophobicContact CG2-CD1 4.01Å; T827-L930 HydrophobicContact CG2-CG 4.35Å
828C95.2Very high92Very high0 Ų045 Ų450%024%0.239CC..Hα-helixtrans-62.5-45.9174.5-71.50000111S824 T825 S831 L832 L899S824-C828 WeakPolarHBondContact O-CB 3.41Å; S824-C828 PolarHBondContact O-N 3.19Å; S824-C828 PolarHBondContact O-SG 2.81Å; S824-C828 VanDerWaalsContact O-SG 3.33Å; T825-C828 PolarHBondContact O-N 2.96Å; C828-S831 PolarHBondContact O-N 3.37Å; C828-L832 WeakPolarHBondContact O-CB 3.42Å; C828-L832 WeakPolarHBondContact O-CG 3.45Å; C828-L832 PolarHBondContact O-N 3.33Å; C828-L899 HydrophobicContact CB-CD2 3.88Å; C828-L899 HydrophobicContact CB-CG 4.01Å
829L94.4Very high91.1Very high74 Ų7448.3 Ų48.339%0.38725%0.252SS..Hα-helixtrans-58.9-50.3174.9-68.3175.1000111.9T825 V826 S831 L832 F833 L899T825-L829 WeakPolarHBondContact O-CG 3.16Å; T825-L829 PolarHBondContact O-N 3.4Å; V826-L829 PolarHBondContact O-N 3.33Å; L829-S831 VanDerWaalsContact C-N 3.29Å; L829-S831 PolarHBondContact O-N 2.8Å; L829-L832 WeakPolarHBondContact O-CB 3.14Å; L829-L832 PolarHBondContact O-N 3.47Å; L829-F833 WeakPolarHBondContact O-CD2 3.48Å; L829-F833 PolarHBondContact O-N 2.86Å; L829-L899 HydrophobicContact CD2-CD1 4.05Å; L829-L899 HydrophobicContact CD2-CD2 3.95Å; L829-L899 HydrophobicContact CG-CD2 3.96Å
830I93.9Very high90.2Very high68 Ų6845.8 Ų45.835%0.34924%0.235SC..Hα-helixtrans-63.2-37.7179-64.4167.7000110.8V826 T827 F833 R834 M926V826-I830 HydrophobicContact CG1-CD1 3.77Å; V826-I830 HydrophobicContact CG1-CG1 4.49Å; V826-I830 VanDerWaalsContact O-CG1 3.31Å; V826-I830 WeakPolarHBondContact O-CG1 3.5Å; V826-I830 PolarHBondContact O-N 3.35Å; T827-I830 PolarHBondContact O-N 2.77Å; I830-F833 PolarHBondContact O-N 3.3Å; I830-R834 HydrophobicContact CG2-CG 4.27Å; I830-R834 WeakPolarHBondContact O-CB 3.42Å; I830-R834 WeakPolarHBondContact O-CG 3.37Å; I830-R834 PolarHBondContact O-N 2.75Å; I830-M926 HydrophobicContact CB-SD 4.49Å; I830-M926 HydrophobicContact CG2-CG 4.02Å; I830-M926 HydrophobicContact CG2-SD 3.66Å
831S92.2Very high88.8Confident0 Ų046.1 Ų46.10%024%0.238CC..Hα-helixtrans-66.2-48.1177.3-58.50000111.6T827 C828 L829 F833 R834 L835 F903 M926T827-S831 VanDerWaalsContact O-CB 3.24Å; T827-S831 WeakPolarHBondContact O-CB 3.26Å; T827-S831 PolarHBondContact O-N 2.77Å; T827-S831 PolarHBondContact O-OG 2.91Å; C828-S831 PolarHBondContact O-N 3.37Å; L829-S831 VanDerWaalsContact C-N 3.29Å; L829-S831 PolarHBondContact O-N 2.8Å; S831-F833 PolarHBondContact O-N 2.87Å; S831-R834 PolarHBondContact O-N 3.33Å; S831-R834 VanDerWaalsContact O-N 3.11Å; S831-L835 WeakPolarHBondContact O-CD1 3.36Å; S831-L835 PolarHBondContact O-N 2.85Å; S831-F903 VanDerWaalsContact CB-CZ 3.43Å; S831-M926 VanDerWaalsContact OG-CB 3.23Å; S831-M926 WeakPolarHBondContact OG-CB 3.44Å
832L89.9Confident87.3Confident26 Ų2652.9 Ų52.914%0.13627%0.274CS..Hα-helixtrans-48.5-56.5171.4-84163000110.5C828 L829 R834 L835 Q836 L899 F902 F903C828-L832 WeakPolarHBondContact O-CB 3.42Å; C828-L832 WeakPolarHBondContact O-CG 3.45Å; C828-L832 PolarHBondContact O-N 3.33Å; L829-L832 WeakPolarHBondContact O-CB 3.14Å; L829-L832 PolarHBondContact O-N 3.47Å; L832-R834 VanDerWaalsContact C-N 3.32Å; L832-R834 PolarHBondContact O-N 3.45Å; L832-L835 PolarHBondContact O-N 2.94Å; L832-Q836 WeakPolarHBondContact O-CG 3.5Å; L832-Q836 PolarHBondContact O-N 3.01Å; L832-L899 HydrophobicContact CD1-CD1 3.66Å; L832-L899 HydrophobicContact CD1-CG 4.48Å; L832-F902 HydrophobicContact CD1-CD1 4.02Å; L832-F902 HydrophobicContact CD1-CE1 4.24Å; L832-F902 HydrophobicContact CD2-CD1 3.91Å; L832-F902 HydrophobicContact CD2-CE1 3.74Å; L832-F903 HydrophobicContact CB-CD2 4.43Å; L832-F903 HydrophobicContact CD1-CB 4.34Å; L832-F903 HydrophobicContact CD2-CB 4.12Å; L832-F903 HydrophobicContact CD2-CD2 3.88Å; L832-F903 HydrophobicContact CG-CB 3.96Å; L832-F903 HydrophobicContact CG-CD2 3.71Å; L832-F903 HydrophobicContact CG-CG 4.22Å
833F88.7Confident85.8Confident139 Ų13952.3 Ų52.361%0.6127%0.267SS*.Hα-helixtrans-59.9-36.4179.4-72.7-59.9000113.7L829 I830 S831 Q836L829-F833 WeakPolarHBondContact O-CD2 3.48Å; L829-F833 PolarHBondContact O-N 2.86Å; I830-F833 PolarHBondContact O-N 3.3Å; S831-F833 PolarHBondContact O-N 2.87Å; F833-Q836 WeakPolarHBondContact O-CG 3.4Å
834R88.9Confident84.2Confident162 Ų16252.2 Ų52.261%0.61127%0.268SS*.Hα-helixtrans-77.7-28.3-179.8-68.6-68.1-174.1177.30.4113.7I830 S831 L832I830-R834 HydrophobicContact CG2-CG 4.27Å; I830-R834 WeakPolarHBondContact O-CB 3.42Å; I830-R834 WeakPolarHBondContact O-CG 3.37Å; I830-R834 PolarHBondContact O-N 2.75Å; S831-R834 PolarHBondContact O-N 3.33Å; S831-R834 VanDerWaalsContact O-N 3.11Å; L832-R834 VanDerWaalsContact C-N 3.32Å; L832-R834 PolarHBondContact O-N 3.45Å
835L84.8Confident82.5Confident2 Ų256.1 Ų56.11%0.0129%0.287CS..Hα-helixtrans-83.6-10.2178.6-86.877.5000113.3S831 L832 A837 L838 F903 A907 R910 I927 I988S831-L835 WeakPolarHBondContact O-CD1 3.36Å; S831-L835 PolarHBondContact O-N 2.85Å; L832-L835 PolarHBondContact O-N 2.94Å; L835-A837 PolarHBondContact O-N 3.32Å; L835-L838 HydrophobicContact CB-CD1 4.33Å; L835-L838 HydrophobicContact CD2-CD1 4.17Å; L835-L838 HydrophobicContact CG-CD1 3.92Å; L835-L838 WeakPolarHBondContact O-CB 3.36Å; L835-L838 PolarHBondContact O-N 3.3Å; L835-F903 HydrophobicContact CD1-CE2 4.17Å; L835-F903 HydrophobicContact CD1-CZ 4.31Å; L835-F903 HydrophobicContact CD2-CE2 3.98Å; L835-F903 HydrophobicContact CD2-CZ 4.17Å; L835-F903 HydrophobicContact CG-CE2 4.47Å; L835-A907 HydrophobicContact CD2-CB 3.63Å; L835-R910 PolarHBondContact O-NH1 3.43Å; L835-I927 HydrophobicContact CD1-CD1 4.15Å; L835-I927 HydrophobicContact CD1-CG1 4.34Å; L835-I927 HydrophobicContact CD2-CD1 4.23Å; L835-I988 HydrophobicContact CD2-CG2 4.45Å
836Q80.4Confident80.9Confident73 Ų7356.3 Ų56.334%0.34129%0.286SS..THydrogen-bonded Turntrans-56.7-20.7178.1-58.7-1624.800114.9R74 L832 F833R74-Q836 PolarHBondContact NH1-O 3.34Å; L832-Q836 WeakPolarHBondContact O-CG 3.5Å; L832-Q836 PolarHBondContact O-N 3.01Å; F833-Q836 WeakPolarHBondContact O-CG 3.4Å
837A76.8Confident79.6Confident57 Ų5753.8 Ų53.847%0.47127%0.27SS..THydrogen-bonded Turntrans-81.2-14.6177.800000114.4L835 H917L835-A837 PolarHBondContact O-N 3.32Å; A837-H917 PolarHBondContact O-CE1 2.88Å
838L81.2Confident78.4Confident7 Ų753.6 Ų53.64%0.03727%0.269CS..SBendtrans-76.4146.3176.3-65.8168.5000110.6L835 R910 A912 H917 P922 A992L835-L838 HydrophobicContact CB-CD1 4.33Å; L835-L838 HydrophobicContact CD2-CD1 4.17Å; L835-L838 HydrophobicContact CG-CD1 3.92Å; L835-L838 WeakPolarHBondContact O-CB 3.36Å; L835-L838 PolarHBondContact O-N 3.3Å; L838-R910 HydrophobicContact CB-CB 3.87Å; L838-R910 HydrophobicContact CB-CG 4.22Å; L838-R910 HydrophobicContact CD1-CB 4.12Å; L838-R910 PolarHBondContact O-NH1 3.33Å; L838-A912 HydrophobicContact CD2-CB 4.25Å; L838-H917 HydrophobicContact CD2-CB 4.22Å; L838-P922 HydrophobicContact CD2-CG 4.23Å; L838-P922 HydrophobicContact CG-CG 4.45Å; L838-A992 HydrophobicContact CD1-CB 4.4Å
839K76.9Confident77.5Confident97 Ų9754.3 Ų54.342%0.42227%0.272SS..EExtended strand (participates in β ladder)trans-70.6145177.3-162.3-164168.4-1770109R910 C911 E998K839-R910 WeakPolarHBondContact O-CA 3.13Å; K839-C911 PolarHBondContact N-O 2.89Å; K839-C911 PolarHBondContact O-N 3.46Å; K839-E998 IonicContact NZ-OE1 3.6Å; K839-E998 PolarHBondContact NZ-OE1 3.17Å; K839-E998 IonicContact NZ-OE2 2.65Å; K839-E998 PolarHBondContact NZ-OE2 3.29Å
840L77Confident76.9Confident36 Ų3651.5 Ų51.519%0.18826%0.258CS..EExtended strand (participates in β ladder)trans-65.7146.4165.1-162.368.5000109.3I71 R909I71-L840 HydrophobicContact CG2-CD2 4.14Å; I71-L840 WeakPolarHBondContact O-CD2 3.31Å; L840-R909 CarbonylContact C-O 3.32Å; L840-R909 HydrophobicContact CD1-CB 3.8Å
841S69.6Low76.5Confident12 Ų1248.4 Ų48.48%0.08424%0.242CC..  trans-133.5154174.5173.40000108.6R909 R996S841-R909 PolarHBondContact N-O 3.31Å; S841-R996 PolarHBondContact OG-NH1 3.07Å
842D64.4Low76Confident141 Ų14149 Ų4975%0.75425%0.246SC*.PPolyproline II helixtrans-55.7140170.5-45.1-42.5000110.5S844D842-S844 PolarHBondContact O-N 2.96Å
843L64.6Low75.7Confident42 Ų4248.6 Ų48.622%0.2224%0.243CC..PPolyproline II helixtrans-73.3118.2179.7-177.462.3000108.9V847 A848 R909L843-V847 HydrophobicContact CD1-CB 3.93Å; L843-V847 HydrophobicContact CD1-CG1 3.63Å; L843-A848 HydrophobicContact CD2-CB 3.8Å; L843-A848 HydrophobicContact CG-CB 4.07Å; L843-R909 HydrophobicContact CD1-CG 4.11Å
844S63.8Low75.8Confident44 Ų4442 Ų4231%0.30821%0.214SC..PPolyproline II helixtrans-68.8137.2171.9-178.60000109.5D842 E846 V847 A848D842-S844 PolarHBondContact O-N 2.96Å; S844-E846 PolarHBondContact O-N 2.96Å; S844-E846 VanDerWaalsContact O-N 3.14Å; S844-V847 WeakPolarHBondContact O-CA 3.42Å; S844-V847 WeakPolarHBondContact O-CB 3.28Å; S844-V847 PolarHBondContact O-N 2.85Å; S844-A848 PolarHBondContact O-N 2.74Å
845E61.2Low75.9Confident82 Ų8234.6 Ų34.638%0.38319%0.187SC..Hα-helixtrans-53.9-34.1175.2-177.6178.4-159.300112.3R61 V847 A848 F849R61-E845 IonicContact CZ-OE1 3.6Å; R61-E845 VanDerWaalsContact CZ-OE1 3.3Å; R61-E845 IonicContact NH1-OE1 2.75Å; R61-E845 PolarHBondContact NH1-OE1 2.84Å; R61-E845 IonicContact NH2-OE1 2.88Å; R61-E845 PolarHBondContact NH2-OE1 3.09Å; E845-V847 VanDerWaalsContact C-N 3.25Å; E845-V847 PolarHBondContact O-N 2.89Å; E845-A848 PolarHBondContact O-N 3.44Å; E845-F849 PolarHBondContact O-N 3.23Å; E845-F849 VanDerWaalsContact O-N 3.13Å
846E63Low76Confident32 Ų3239.2 Ų39.215%0.1521%0.21CC..Hα-helixtrans-65-31.2175.9-61.2-142.3117.900113.2E524 G525 K741 K745 S844 D850E524-E846 VanDerWaalsContact CB-OE2 3.31Å; E524-E846 WeakPolarHBondContact CB-OE2 3.27Å; G525-E846 VanDerWaalsContact CA-OE1 3.27Å; G525-E846 WeakPolarHBondContact CA-OE1 3.29Å; G525-E846 WeakPolarHBondContact CA-OE2 3.48Å; G525-E846 PolarHBondContact N-OE1 3.36Å; G525-E846 PolarHBondContact N-OE2 2.84Å; K741-E846 PolarHBondContact NZ-O 2.93Å; K745-E846 IonicContact NZ-OE1 3.28Å; K745-E846 PolarHBondContact NZ-OE1 3.3Å; S844-E846 PolarHBondContact O-N 2.96Å; S844-E846 VanDerWaalsContact O-N 3.14Å; E846-D850 PolarHBondContact O-N 3.41Å
847V68.9Low76.6Confident28 Ų2835.7 Ų35.717%0.1719%0.194CC..Hα-helixtrans-81.5-41.8178.6177.70000109.8L843 S844 E845 F849 D850 D851 S908L843-V847 HydrophobicContact CD1-CB 3.93Å; L843-V847 HydrophobicContact CD1-CG1 3.63Å; S844-V847 WeakPolarHBondContact O-CA 3.42Å; S844-V847 WeakPolarHBondContact O-CB 3.28Å; S844-V847 PolarHBondContact O-N 2.85Å; E845-V847 VanDerWaalsContact C-N 3.25Å; E845-V847 PolarHBondContact O-N 2.89Å; V847-F849 PolarHBondContact O-N 3.04Å; V847-D850 CarbonylContact O-C 3.59Å; V847-D850 PolarHBondContact O-N 2.96Å; V847-D851 WeakPolarHBondContact O-CB 3.31Å; V847-D851 PolarHBondContact O-N 3.13Å; V847-S908 VanDerWaalsContact CG1-CB 3.47Å
848A71.5Confident77.4Confident3 Ų333 Ų333%0.02517%0.172CC..Hα-helixtrans-55.7-39174.100000112.6S63 V64 L843 S844 E845 D851 N852S63-A848 PolarHBondContact OG-O 2.85Å; V64-A848 HydrophobicContact CG2-CB 3.73Å; L843-A848 HydrophobicContact CD2-CB 3.8Å; L843-A848 HydrophobicContact CG-CB 4.07Å; S844-A848 PolarHBondContact O-N 2.74Å; E845-A848 PolarHBondContact O-N 3.44Å; A848-D851 PolarHBondContact O-N 3.18Å; A848-N852 PolarHBondContact O-N 3.15Å; A848-N852 PolarHBondContact O-ND2 3.29Å; A848-N852 PolarHBondContact O-OD1 3.31Å
849F76.7Confident77.9Confident15 Ų1535 Ų357%0.06618%0.184CC..Hα-helixtrans-66-44.2173.4177.2-91.8000113.1A737 Y740 K741 E845 V847 D851 N852 L853A737-F849 HydrophobicContact CB-CZ 4.35Å; A737-F849 WeakPolarHBondContact O-CZ 3.21Å; Y740-F849 HydrophobicContact CD1-CD2 4.45Å; Y740-F849 AromaticContact CD1-CE2 3.6Å; Y740-F849 HydrophobicContact CD1-CE2 3.6Å; Y740-F849 HydrophobicContact CD1-CZ 4.33Å; Y740-F849 HydrophobicContact CE1-CD2 4.49Å; Y740-F849 AromaticContact CE1-CE2 3.99Å; Y740-F849 HydrophobicContact CE1-CE2 3.99Å; K741-F849 HydrophobicContact CB-CD1 4.25Å; K741-F849 HydrophobicContact CB-CE1 3.84Å; K741-F849 HydrophobicContact CB-CE2 4.31Å; K741-F849 HydrophobicContact CB-CZ 3.89Å; K741-F849 HydrophobicContact CD-CD1 3.36Å; K741-F849 HydrophobicContact CD-CE1 3.62Å; K741-F849 HydrophobicContact CD-CG 3.98Å; K741-F849 HydrophobicContact CD-CZ 4.49Å; K741-F849 HydrophobicContact CG-CD1 3.81Å; K741-F849 HydrophobicContact CG-CD2 4.39Å; K741-F849 HydrophobicContact CG-CE1 3.92Å; K741-F849 HydrophobicContact CG-CG 4.02Å; K741-F849 HydrophobicContact CG-CZ 4.32Å; E845-F849 PolarHBondContact O-N 3.23Å; E845-F849 VanDerWaalsContact O-N 3.13Å; V847-F849 PolarHBondContact O-N 3.04Å; F849-D851 VanDerWaalsContact C-N 3.28Å; F849-D851 PolarHBondContact O-N 3.31Å; F849-N852 PolarHBondContact O-N 3.14Å; F849-L853 HydrophobicContact CD1-CD1 4.07Å; F849-L853 HydrophobicContact CD1-CG 4.47Å; F849-L853 HydrophobicContact CE1-CD1 3.39Å; F849-L853 HydrophobicContact CE1-CG 3.94Å; F849-L853 HydrophobicContact CZ-CD1 3.86Å; F849-L853 HydrophobicContact CZ-CD2 4.25Å; F849-L853 HydrophobicContact CZ-CG 4.02Å; F849-L853 PolarHBondContact O-N 3.17Å; F849-L853 VanDerWaalsContact O-N 3.1Å
850D81.5Confident78.6Confident15 Ų1530.4 Ų30.48%0.0816%0.164CC..Hα-helixtrans-67.8-31.7177.9-70.37.2000110.4K741 E846 V847 L854 H980K741-D850 IonicContact NZ-OD1 2.67Å; K741-D850 PolarHBondContact NZ-OD1 3.25Å; K741-D850 IonicContact NZ-OD2 2.6Å; E846-D850 PolarHBondContact O-N 3.41Å; V847-D850 CarbonylContact O-C 3.59Å; V847-D850 PolarHBondContact O-N 2.96Å; D850-L854 PolarHBondContact O-N 3.03Å; D850-H980 PolarHBondContact O-NE2 3.41Å
851D84.2Confident79.4Confident4 Ų428.7 Ų28.72%0.02116%0.155CC..Hα-helixtrans-69.3-37171.7-74-23.9000111.9V847 A848 F849 L854 L855 L905 S908V847-D851 WeakPolarHBondContact O-CB 3.31Å; V847-D851 PolarHBondContact O-N 3.13Å; A848-D851 PolarHBondContact O-N 3.18Å; F849-D851 VanDerWaalsContact C-N 3.28Å; F849-D851 PolarHBondContact O-N 3.31Å; D851-L854 WeakPolarHBondContact O-CB 3.24Å; D851-L854 PolarHBondContact O-N 3.32Å; D851-L855 WeakPolarHBondContact O-CG 3.49Å; D851-L855 PolarHBondContact O-N 3.16Å; D851-L855 VanDerWaalsContact O-N 3.1Å; D851-L905 HydrophobicContact CB-CD2 3.71Å; D851-S908 PolarHBondContact OD2-OG 2.93Å
852N82.1Confident80.6Confident13 Ų1328.2 Ų28.27%0.0715%0.152CC..Hα-helixtrans-64.1-42.3173.6-67.6-27.5000112.3L60 S63 A848 F849 L854 L855 I856L60-N852 PolarHBondContact O-ND2 2.83Å; S63-N852 WeakPolarHBondContact CB-OD1 3.38Å; S63-N852 PolarHBondContact OG-OD1 3.09Å; A848-N852 PolarHBondContact O-N 3.15Å; A848-N852 PolarHBondContact O-ND2 3.29Å; A848-N852 PolarHBondContact O-OD1 3.31Å; F849-N852 PolarHBondContact O-N 3.14Å; N852-L854 VanDerWaalsContact C-N 3.28Å; N852-L854 PolarHBondContact O-N 3.33Å; N852-L855 PolarHBondContact O-N 3.39Å; N852-I856 WeakPolarHBondContact O-CG1 3.36Å; N852-I856 PolarHBondContact O-N 3.23Å; N852-I856 VanDerWaalsContact O-N 3.11Å
853L84.9Confident82Confident16 Ų1623.1 Ų23.18%0.08412%0.123CC..Hα-helixtrans-60-38.4173.5-74.4176.2000112.1A737 F849 L855 I856 G857 F976 H980A737-L853 HydrophobicContact CB-CD1 4.11Å; A737-L853 HydrophobicContact CB-CD2 3.85Å; F849-L853 HydrophobicContact CD1-CD1 4.07Å; F849-L853 HydrophobicContact CD1-CG 4.47Å; F849-L853 HydrophobicContact CE1-CD1 3.39Å; F849-L853 HydrophobicContact CE1-CG 3.94Å; F849-L853 HydrophobicContact CZ-CD1 3.86Å; F849-L853 HydrophobicContact CZ-CD2 4.25Å; F849-L853 HydrophobicContact CZ-CG 4.02Å; F849-L853 PolarHBondContact O-N 3.17Å; F849-L853 VanDerWaalsContact O-N 3.1Å; L853-L855 VanDerWaalsContact C-N 3.34Å; L853-I856 PolarHBondContact O-N 2.78Å; L853-G857 PolarHBondContact O-N 3.48Å; L853-G857 VanDerWaalsContact O-N 3.12Å; L853-F976 HydrophobicContact CB-CE1 4.35Å; L853-F976 HydrophobicContact CB-CZ 4.28Å; L853-F976 HydrophobicContact CD2-CZ 4.21Å; L853-H980 WeakPolarHBondContact CB-NE2 3.22Å
854L90.9Very high83.4Confident0 Ų021.2 Ų21.20%011%0.113CC..Hα-helixtrans-64.5-38.3176.7-177.664.8000112.2D850 D851 N852 G857 L858 V901 I904 F977 S981D850-L854 PolarHBondContact O-N 3.03Å; D851-L854 WeakPolarHBondContact O-CB 3.24Å; D851-L854 PolarHBondContact O-N 3.32Å; N852-L854 VanDerWaalsContact C-N 3.28Å; N852-L854 PolarHBondContact O-N 3.33Å; L854-G857 PolarHBondContact O-N 3.25Å; L854-L858 PolarHBondContact O-N 2.88Å; L854-V901 HydrophobicContact CD1-CG2 4.24Å; L854-V901 HydrophobicContact CD2-CB 4.42Å; L854-V901 HydrophobicContact CD2-CG1 4.02Å; L854-V901 HydrophobicContact CD2-CG2 4.1Å; L854-V901 HydrophobicContact CG-CG1 4.25Å; L854-V901 HydrophobicContact CG-CG2 3.91Å; L854-I904 HydrophobicContact CD1-CD1 4.42Å; L854-I904 HydrophobicContact CD2-CB 3.81Å; L854-I904 HydrophobicContact CD2-CD1 3.76Å; L854-I904 HydrophobicContact CD2-CG1 4.39Å; L854-I904 HydrophobicContact CD2-CG2 3.52Å; L854-F977 HydrophobicContact CD1-CD2 3.93Å; L854-F977 HydrophobicContact CD1-CE2 3.71Å; L854-F977 HydrophobicContact CG-CE2 4.48Å; L854-S981 WeakPolarHBondContact CD1-OG 3.47Å
855L89.5Confident84.8Confident8 Ų819.1 Ų19.14%0.04210%0.098CC..Hα-helixtrans-68.1-35.6176.5-65.2163.6000112.2L84 L85 L88 D851 N852 L853 L858 V859 V901L84-L855 HydrophobicContact CD2-CD1 3.83Å; L84-L855 HydrophobicContact CD2-CD2 4.32Å; L85-L855 HydrophobicContact CD2-CD2 4.37Å; L88-L855 HydrophobicContact CD1-CB 4.36Å; L88-L855 HydrophobicContact CD1-CD2 3.68Å; D851-L855 WeakPolarHBondContact O-CG 3.49Å; D851-L855 PolarHBondContact O-N 3.16Å; D851-L855 VanDerWaalsContact O-N 3.1Å; N852-L855 PolarHBondContact O-N 3.39Å; L853-L855 VanDerWaalsContact C-N 3.34Å; L855-L858 PolarHBondContact O-N 2.72Å; L855-V859 WeakPolarHBondContact O-CG2 3.43Å; L855-V859 PolarHBondContact O-N 2.85Å; L855-V901 HydrophobicContact CD2-CG1 3.93Å
856I88.4Confident86.3Confident98 Ų9815.6 Ų15.650%0.5038%0.082SC..Hα-helixtrans-63.5-42.6172.4-66.1166.8000110.8N852 L853 V859 G860N852-I856 WeakPolarHBondContact O-CG1 3.36Å; N852-I856 PolarHBondContact O-N 3.23Å; N852-I856 VanDerWaalsContact O-N 3.11Å; L853-I856 PolarHBondContact O-N 2.78Å; I856-V859 PolarHBondContact O-N 3.08Å; I856-G860 PolarHBondContact O-N 3.07Å
857G91.2Very high87.7Confident0 Ų014.2 Ų14.20%08%0.075CC..Hα-helixtrans-61.2-43.5172.800000112.7L853 L854 V859 G860 M861L853-G857 PolarHBondContact O-N 3.48Å; L853-G857 VanDerWaalsContact O-N 3.12Å; L854-G857 PolarHBondContact O-N 3.25Å; G857-V859 VanDerWaalsContact C-N 3.33Å; G857-V859 PolarHBondContact O-N 3.1Å; G857-G860 PolarHBondContact O-N 3.22Å; G857-M861 PolarHBondContact O-N 2.65Å
858L94.6Very high88.9Confident0 Ų012.9 Ų12.90%07%0.067CC..Hα-helixtrans-60.9-39.9176.8-178.468.4000112.1L85 L854 L855 G860 M861 L862 M898 V901 F977L85-L858 HydrophobicContact CD2-CD2 3.35Å; L854-L858 PolarHBondContact O-N 2.88Å; L855-L858 PolarHBondContact O-N 2.72Å; L858-G860 VanDerWaalsContact C-N 3.31Å; L858-G860 PolarHBondContact O-N 2.7Å; L858-M861 WeakPolarHBondContact O-CB 3.43Å; L858-M861 PolarHBondContact O-N 2.84Å; L858-L862 HydrophobicContact CD1-CD1 4.33Å; L858-L862 HydrophobicContact CD1-CG 4.19Å; L858-L862 HydrophobicContact CD2-CD1 4.46Å; L858-L862 HydrophobicContact CG-CD1 4.01Å; L858-L862 HydrophobicContact CG-CG 4.27Å; L858-L862 WeakPolarHBondContact O-CB 3.2Å; L858-L862 WeakPolarHBondContact O-CG 3.38Å; L858-L862 PolarHBondContact O-N 3.01Å; L858-M898 HydrophobicContact CD1-CG 4.42Å; L858-V901 HydrophobicContact CB-CG2 4.26Å; L858-V901 HydrophobicContact CD1-CG2 4.15Å; L858-V901 HydrophobicContact CD2-CB 4.29Å; L858-V901 HydrophobicContact CD2-CG1 4.38Å; L858-V901 HydrophobicContact CD2-CG2 4.09Å; L858-V901 HydrophobicContact CG-CG2 4.39Å; L858-F977 HydrophobicContact CB-CD2 4.41Å; L858-F977 HydrophobicContact CB-CE2 4.1Å; L858-F977 HydrophobicContact CD1-CE2 4.34Å; L858-F977 HydrophobicContact CD1-CZ 4.29Å
859V91.4Very high89.9Confident48 Ų4813.6 Ų13.629%0.2917%0.071SC..Hα-helixtrans-58.5-43.1174.81600000111.4L88 M92 L855 I856 G857 F863L88-V859 HydrophobicContact CD2-CG2 3.95Å; M92-V859 HydrophobicContact CE-CG1 4.37Å; M92-V859 HydrophobicContact SD-CG1 3.83Å; L855-V859 WeakPolarHBondContact O-CG2 3.43Å; L855-V859 PolarHBondContact O-N 2.85Å; I856-V859 PolarHBondContact O-N 3.08Å; G857-V859 VanDerWaalsContact C-N 3.33Å; G857-V859 PolarHBondContact O-N 3.1Å; V859-F863 VanDerWaalsContact O-CB 3.28Å; V859-F863 WeakPolarHBondContact O-CB 3.45Å; V859-F863 PolarHBondContact O-N 2.72Å
860G91.5Very high90.5Very high1 Ų113.3 Ų13.31%0.017%0.07CC..Hα-helixtrans-68-36175.100000114.2I856 G857 L858 Y864I856-G860 PolarHBondContact O-N 3.07Å; G857-G860 PolarHBondContact O-N 3.22Å; L858-G860 VanDerWaalsContact C-N 3.31Å; L858-G860 PolarHBondContact O-N 2.7Å; G860-Y864 PolarHBondContact O-N 2.91Å; G860-Y864 VanDerWaalsContact O-N 3.16Å
861M94Very high90.8Very high1 Ų112.7 Ų12.71%0.0057%0.067CC..Hα-helixtrans-63-53.2174.1-166.975.5-102.600111.1G857 L858 F863 Y864 D865 E893 I974 F977G857-M861 PolarHBondContact O-N 2.65Å; L858-M861 WeakPolarHBondContact O-CB 3.43Å; L858-M861 PolarHBondContact O-N 2.84Å; M861-F863 VanDerWaalsContact C-N 3.32Å; M861-F863 PolarHBondContact O-N 2.83Å; M861-Y864 WeakPolarHBondContact O-CB 3.44Å; M861-Y864 PolarHBondContact O-N 3.04Å; M861-Y864 VanDerWaalsContact O-N 3.14Å; M861-D865 PolarHBondContact O-N 2.99Å; M861-E893 VanDerWaalsContact CE-CD 3.41Å; M861-E893 HydrophobicContact CE-CG 3.86Å; M861-E893 VanDerWaalsContact CE-OE1 3.25Å; M861-E893 WeakPolarHBondContact CE-OE1 3.34Å; M861-E893 HydrophobicContact SD-CG 4.19Å; M861-I974 HydrophobicContact CE-CB 4.49Å; M861-I974 HydrophobicContact CE-CD1 4.09Å; M861-I974 HydrophobicContact CE-CG1 3.84Å; M861-I974 HydrophobicContact CE-CG2 3.94Å; M861-I974 HydrophobicContact SD-CB 4.39Å; M861-I974 HydrophobicContact SD-CG1 4.16Å; M861-I974 HydrophobicContact SD-CG2 3.86Å; M861-F977 HydrophobicContact CB-CD1 4.27Å; M861-F977 HydrophobicContact CG-CD1 4.16Å; M861-F977 HydrophobicContact CG-CE1 4.3Å; M861-F977 HydrophobicContact SD-CD1 4.03Å; M861-F977 HydrophobicContact SD-CE1 4.49Å
862L94.8Very high91.1Very high1 Ų112.5 Ų12.51%0.0057%0.066CC..Hα-helixtrans-64.1-34.4178.8-66.9177.3000112.6F89 M92 L858 L866 M894 M898F89-L862 HydrophobicContact CD2-CD1 4.26Å; F89-L862 HydrophobicContact CD2-CD2 4.06Å; F89-L862 HydrophobicContact CE2-CD2 4.37Å; M92-L862 HydrophobicContact CB-CB 4.34Å; M92-L862 HydrophobicContact CG-CB 4.2Å; L858-L862 HydrophobicContact CD1-CD1 4.33Å; L858-L862 HydrophobicContact CD1-CG 4.19Å; L858-L862 HydrophobicContact CD2-CD1 4.46Å; L858-L862 HydrophobicContact CG-CD1 4.01Å; L858-L862 HydrophobicContact CG-CG 4.27Å; L858-L862 WeakPolarHBondContact O-CB 3.2Å; L858-L862 WeakPolarHBondContact O-CG 3.38Å; L858-L862 PolarHBondContact O-N 3.01Å; L862-L866 WeakPolarHBondContact O-CB 3.32Å; L862-L866 WeakPolarHBondContact O-CD1 3.24Å; L862-L866 VanDerWaalsContact O-CG 3.24Å; L862-L866 WeakPolarHBondContact O-CG 3.48Å; L862-L866 PolarHBondContact O-N 3.4Å; L862-M894 HydrophobicContact CD2-CB 4.07Å; L862-M894 HydrophobicContact CD2-CG 3.95Å; L862-M898 HydrophobicContact CD2-CG 4.3Å; L862-M898 HydrophobicContact CD2-SD 4.4Å
863F93.2Very high91.4Very high35 Ų3514 Ų1415%0.1547%0.074CC..Hα-helixtrans-55.9-53170.8177.3-93.5000110.5M92 F95 V96 V859 M861 F867 I966 A970M92-F863 HydrophobicContact CE-CB 3.55Å; M92-F863 HydrophobicContact CE-CD2 3.93Å; M92-F863 HydrophobicContact CE-CG 4.24Å; F95-F863 HydrophobicContact CD1-CD2 4.42Å; F95-F863 HydrophobicContact CE1-CD2 4.17Å; F95-F863 AromaticContact CE1-CE2 3.92Å; F95-F863 HydrophobicContact CE1-CE2 3.92Å; V96-F863 HydrophobicContact CG2-CD2 3.91Å; V96-F863 HydrophobicContact CG2-CE2 4.47Å; V859-F863 VanDerWaalsContact O-CB 3.28Å; V859-F863 WeakPolarHBondContact O-CB 3.45Å; V859-F863 PolarHBondContact O-N 2.72Å; M861-F863 VanDerWaalsContact C-N 3.32Å; M861-F863 PolarHBondContact O-N 2.83Å; F863-F867 HydrophobicContact CD1-CD2 4.18Å; F863-F867 HydrophobicContact CD1-CE2 4.43Å; F863-F867 HydrophobicContact CD2-CD2 4.37Å; F863-F867 AromaticContact CD2-CE2 3.99Å; F863-F867 HydrophobicContact CD2-CE2 3.99Å; F863-F867 AromaticContact CE1-CD2 3.96Å; F863-F867 HydrophobicContact CE1-CD2 3.96Å; F863-F867 AromaticContact CE1-CE2 3.98Å; F863-F867 HydrophobicContact CE1-CE2 3.98Å; F863-F867 HydrophobicContact CE2-CD2 4.18Å; F863-F867 AromaticContact CE2-CE2 3.5Å; F863-F867 HydrophobicContact CE2-CE2 3.5Å; F863-F867 VanDerWaalsContact CE2-CE2 3.5Å; F863-F867 HydrophobicContact CE2-CZ 4.47Å; F863-F867 HydrophobicContact CG-CD2 4.38Å; F863-F867 HydrophobicContact CG-CE2 4.44Å; F863-F867 AromaticContact CZ-CD2 3.97Å; F863-F867 HydrophobicContact CZ-CD2 3.97Å; F863-F867 AromaticContact CZ-CE2 3.49Å; F863-F867 HydrophobicContact CZ-CE2 3.49Å; F863-F867 VanDerWaalsContact CZ-CE2 3.49Å; F863-F867 HydrophobicContact CZ-CZ 4.4Å; F863-F867 VanDerWaalsContact O-CD2 3.31Å; F863-F867 WeakPolarHBondContact O-CD2 2.97Å; F863-F867 PolarHBondContact O-N 3.12Å; F863-I966 HydrophobicContact CE1-CG2 4.27Å; F863-A970 HydrophobicContact CD1-CB 3.95Å; F863-A970 HydrophobicContact CE1-CB 4.22Å
864Y93.8Very high91.4Very high2 Ų215.1 Ų15.11%0.0088%0.079CC..Hα-helixtrans-62.5-51.4-177.6-169-111.1000112.9G860 M861 L866 F867 L868 V945 D949 W963 T967 A970 I974G860-Y864 PolarHBondContact O-N 2.91Å; G860-Y864 VanDerWaalsContact O-N 3.16Å; M861-Y864 WeakPolarHBondContact O-CB 3.44Å; M861-Y864 PolarHBondContact O-N 3.04Å; M861-Y864 VanDerWaalsContact O-N 3.14Å; Y864-L866 PolarHBondContact O-N 3.47Å; Y864-F867 CarbonylContact O-C 3.59Å; Y864-F867 WeakPolarHBondContact O-CA 3.25Å; Y864-F867 PolarHBondContact O-N 2.88Å; Y864-L868 HydrophobicContact CE1-CD1 4.49Å; Y864-L868 HydrophobicContact CE1-CD2 4.31Å; Y864-L868 PolarHBondContact O-N 3.41Å; Y864-V945 HydrophobicContact CE1-CG1 4.1Å; Y864-V945 WeakPolarHBondContact OH-CG1 3.47Å; Y864-D949 VanDerWaalsContact OH-CB 3.24Å; Y864-D949 WeakPolarHBondContact OH-CB 3.29Å; Y864-D949 PolarHBondContact OH-OD2 3.36Å; Y864-D949 VanDerWaalsContact OH-OD2 3.11Å; Y864-W963 HydrophobicContact CE2-CH2 4.33Å; Y864-T967 HydrophobicContact CE2-CG2 4.15Å; Y864-A970 HydrophobicContact CD2-CB 3.55Å; Y864-A970 HydrophobicContact CE2-CB 4.45Å; Y864-A970 HydrophobicContact CG-CB 4.16Å; Y864-I974 HydrophobicContact CD1-CD1 3.58Å; Y864-I974 HydrophobicContact CD2-CD1 3.96Å; Y864-I974 HydrophobicContact CE1-CD1 4.18Å; Y864-I974 HydrophobicContact CG-CD1 3.43Å; Y864-I974 VanDerWaalsContact CG-CD1 3.43Å
865D94.7Very high91.2Very high0 Ų015.6 Ų15.60%08%0.082CC..Hα-helixtrans-64.1-31.6-174.1-68.1-29.7000111.7M861 L868 L869 A890 M894M861-D865 PolarHBondContact O-N 2.99Å; D865-L868 PolarHBondContact O-N 3.35Å; D865-L869 WeakPolarHBondContact O-CB 3.48Å; D865-L869 PolarHBondContact O-N 2.94Å; D865-A890 HydrophobicContact CB-CB 4.16Å; D865-M894 HydrophobicContact CB-CG 3.41Å; D865-M894 VanDerWaalsContact CB-CG 3.41Å; D865-M894 HydrophobicContact CB-SD 3.67Å
866L92.5Very high91.1Very high8 Ų818 Ų184%0.04210%0.095CC..Hα-helixtrans-67.9-37.7172.5-72.4169.6000112.9M92 V96 L862 Y864 V870 M894M92-L866 HydrophobicContact CB-CD1 4Å; V96-L866 HydrophobicContact CB-CB 4.01Å; V96-L866 HydrophobicContact CB-CD1 4.09Å; V96-L866 HydrophobicContact CG1-CB 3.58Å; V96-L866 HydrophobicContact CG2-CB 4.38Å; V96-L866 HydrophobicContact CG2-CD1 4.21Å; L862-L866 WeakPolarHBondContact O-CB 3.32Å; L862-L866 WeakPolarHBondContact O-CD1 3.24Å; L862-L866 VanDerWaalsContact O-CG 3.24Å; L862-L866 WeakPolarHBondContact O-CG 3.48Å; L862-L866 PolarHBondContact O-N 3.4Å; Y864-L866 PolarHBondContact O-N 3.47Å; L866-V870 PolarHBondContact O-N 2.74Å; L866-M894 HydrophobicContact CD2-CE 3.65Å; L866-M894 HydrophobicContact CG-CE 4.13Å
867F92.5Very high91Very high2 Ų218.4 Ų18.41%0.00910%0.104CC..Hα-helixtrans-71.5-29172.1-84.4-74.6000112.8V96 I99 C100 F863 Y864 P871 Y958 W963 I966V96-F867 HydrophobicContact CB-CE2 4.25Å; V96-F867 HydrophobicContact CG1-CD1 4.34Å; V96-F867 HydrophobicContact CG1-CD2 3.59Å; V96-F867 HydrophobicContact CG1-CE1 4.3Å; V96-F867 HydrophobicContact CG1-CE2 3.52Å; V96-F867 HydrophobicContact CG1-CG 4Å; V96-F867 HydrophobicContact CG1-CZ 3.89Å; V96-F867 HydrophobicContact CG2-CD2 4.31Å; V96-F867 HydrophobicContact CG2-CE2 3.91Å; I99-F867 HydrophobicContact CB-CE1 4.37Å; I99-F867 HydrophobicContact CB-CZ 3.96Å; I99-F867 HydrophobicContact CD1-CZ 4.41Å; I99-F867 HydrophobicContact CG2-CE1 3.93Å; I99-F867 HydrophobicContact CG2-CZ 3.66Å; C100-F867 VanDerWaalsContact SG-CD1 3.59Å; F863-F867 HydrophobicContact CD1-CD2 4.18Å; F863-F867 HydrophobicContact CD1-CE2 4.43Å; F863-F867 HydrophobicContact CD2-CD2 4.37Å; F863-F867 AromaticContact CD2-CE2 3.99Å; F863-F867 HydrophobicContact CD2-CE2 3.99Å; F863-F867 AromaticContact CE1-CD2 3.96Å; F863-F867 HydrophobicContact CE1-CD2 3.96Å; F863-F867 AromaticContact CE1-CE2 3.98Å; F863-F867 HydrophobicContact CE1-CE2 3.98Å; F863-F867 HydrophobicContact CE2-CD2 4.18Å; F863-F867 AromaticContact CE2-CE2 3.5Å; F863-F867 HydrophobicContact CE2-CE2 3.5Å; F863-F867 VanDerWaalsContact CE2-CE2 3.5Å; F863-F867 HydrophobicContact CE2-CZ 4.47Å; F863-F867 HydrophobicContact CG-CD2 4.38Å; F863-F867 HydrophobicContact CG-CE2 4.44Å; F863-F867 AromaticContact CZ-CD2 3.97Å; F863-F867 HydrophobicContact CZ-CD2 3.97Å; F863-F867 AromaticContact CZ-CE2 3.49Å; F863-F867 HydrophobicContact CZ-CE2 3.49Å; F863-F867 VanDerWaalsContact CZ-CE2 3.49Å; F863-F867 HydrophobicContact CZ-CZ 4.4Å; F863-F867 VanDerWaalsContact O-CD2 3.31Å; F863-F867 WeakPolarHBondContact O-CD2 2.97Å; F863-F867 PolarHBondContact O-N 3.12Å; Y864-F867 CarbonylContact O-C 3.59Å; Y864-F867 WeakPolarHBondContact O-CA 3.25Å; Y864-F867 PolarHBondContact O-N 2.88Å; F867-P871 WeakPolarHBondContact O-CD 3.43Å; F867-Y958 AromaticContact CD1-CE1 3.71Å; F867-Y958 HydrophobicContact CD1-CE1 3.71Å; F867-Y958 HydrophobicContact CD1-CE2 4.3Å; F867-Y958 AromaticContact CD1-CZ 3.58Å; F867-Y958 WeakPolarHBondContact CD1-OH 3.3Å; F867-Y958 AromaticContact CE1-CE1 3.97Å; F867-Y958 HydrophobicContact CE1-CE1 3.97Å; F867-Y958 WeakPolarHBondContact O-CE2 3.41Å; F867-Y958 PolarHBondContact O-OH 3.08Å; F867-Y958 VanDerWaalsContact O-OH 3.06Å; F867-W963 HydrophobicContact CB-CZ3 4.39Å; F867-I966 HydrophobicContact CB-CG2 3.88Å; F867-I966 HydrophobicContact CD1-CD1 3.65Å; F867-I966 HydrophobicContact CD1-CG1 4.34Å; F867-I966 HydrophobicContact CD1-CG2 4.21Å; F867-I966 HydrophobicContact CD2-CG2 3.99Å; F867-I966 HydrophobicContact CE1-CD1 3.66Å; F867-I966 HydrophobicContact CE1-CG1 4.28Å; F867-I966 HydrophobicContact CG-CD1 4.33Å; F867-I966 HydrophobicContact CG-CG2 3.78Å; F867-I966 HydrophobicContact CZ-CD1 4.34Å
868L92.5Very high90.5Very high0 Ų024.4 Ų24.40%014%0.136CC..Hα-helixtrans-75-39.9174-163.172.2000111.4Y864 D865 A872 Y886 K889 A890 D949 H954 W963Y864-L868 HydrophobicContact CE1-CD1 4.49Å; Y864-L868 HydrophobicContact CE1-CD2 4.31Å; Y864-L868 PolarHBondContact O-N 3.41Å; D865-L868 PolarHBondContact O-N 3.35Å; L868-A872 WeakPolarHBondContact O-CB 3.1Å; L868-Y886 HydrophobicContact CD1-CD1 4.04Å; L868-Y886 HydrophobicContact CD1-CE1 4.48Å; L868-Y886 HydrophobicContact CD2-CD1 4.35Å; L868-Y886 HydrophobicContact CG-CD1 4.28Å; L868-K889 HydrophobicContact CD2-CD 4.18Å; L868-A890 HydrophobicContact CB-CB 4.47Å; L868-A890 HydrophobicContact CD2-CB 4.38Å; L868-D949 HydrophobicContact CD1-CB 4.28Å; L868-H954 PolarHBondContact O-CE1 3.43Å; L868-W963 HydrophobicContact CD1-CH2 3.95Å; L868-W963 HydrophobicContact CD1-CZ2 4.29Å
869L92.5Very high89.7Confident18 Ų1826.7 Ų26.79%0.09416%0.16CC..Hα-helixtrans-70.3-45.5-173.1-178.959.3000113.7D865 A872 L873 A887 A890 I891 M894D865-L869 WeakPolarHBondContact O-CB 3.48Å; D865-L869 PolarHBondContact O-N 2.94Å; L869-A872 WeakPolarHBondContact O-CB 3.34Å; L869-A872 PolarHBondContact O-N 3.49Å; L869-L873 HydrophobicContact CD1-CD1 3.9Å; L869-L873 HydrophobicContact CD1-CD2 4.06Å; L869-L873 HydrophobicContact CD1-CG 3.7Å; L869-L873 HydrophobicContact CD2-CD1 4.4Å; L869-L873 HydrophobicContact CG-CD1 3.81Å; L869-L873 HydrophobicContact CG-CG 4.07Å; L869-L873 WeakPolarHBondContact O-CG 3.49Å; L869-L873 PolarHBondContact O-N 3.23Å; L869-A887 HydrophobicContact CD1-CB 4.06Å; L869-A890 HydrophobicContact CB-CB 3.86Å; L869-A890 HydrophobicContact CD1-CB 4.24Å; L869-I891 HydrophobicContact CD1-CD1 4.02Å; L869-I891 HydrophobicContact CD1-CG1 3.81Å; L869-I891 HydrophobicContact CD2-CG1 4.14Å; L869-M894 HydrophobicContact CD2-CE 4.41Å; L869-M894 HydrophobicContact CD2-SD 4.2Å
870V89.1Confident89.3Confident9 Ų927.2 Ų27.26%0.05516%0.163CC..Hα-helixtrans-61.6-49.4-172.5174.90000112.8L97 C100 Y114 L866 A872 L873 E874L97-V870 HydrophobicContact CD2-CG2 3.82Å; C100-V870 HydrophobicContact CB-CB 4.27Å; C100-V870 HydrophobicContact CB-CG1 4.05Å; C100-V870 HydrophobicContact CB-CG2 4.3Å; Y114-V870 HydrophobicContact CD2-CG1 4.5Å; L866-V870 PolarHBondContact O-N 2.74Å; V870-A872 VanDerWaalsContact C-N 3.3Å; V870-A872 PolarHBondContact O-N 3.34Å; V870-L873 PolarHBondContact O-N 3.27Å; V870-E874 PolarHBondContact O-N 3.39Å
871P88.2Confident89.1Confident3 Ų333.1 Ų33.12%0.01919%0.193CC..Hα-helixtrans-65-34.1175-17.429.9000112.7F867 E874 A875 I953 Y957 Y958F867-P871 WeakPolarHBondContact O-CD 3.43Å; P871-E874 PolarHBondContact O-N 3.04Å; P871-A875 WeakPolarHBondContact O-CB 3.47Å; P871-A875 PolarHBondContact O-N 3.12Å; P871-I953 HydrophobicContact CB-CG2 4.06Å; P871-Y957 HydrophobicContact CB-CD1 4.36Å; P871-Y957 HydrophobicContact CB-CD2 3.96Å; P871-Y957 HydrophobicContact CB-CG 3.83Å; P871-Y957 HydrophobicContact CG-CD1 3.82Å; P871-Y957 HydrophobicContact CG-CD2 4.28Å; P871-Y957 HydrophobicContact CG-CE1 4.31Å; P871-Y957 HydrophobicContact CG-CG 3.79Å; P871-Y958 HydrophobicContact CG-CD2 4.33Å; P871-Y958 HydrophobicContact CG-CE2 3.39Å
872A90.4Very high88.8Confident0 Ų033.9 Ų33.90%020%0.199CC..Hα-helixtrans-64.5-47.5178.700000111.2L868 L869 V870 E874 A875 I876 A887L868-A872 WeakPolarHBondContact O-CB 3.1Å; L869-A872 WeakPolarHBondContact O-CB 3.34Å; L869-A872 PolarHBondContact O-N 3.49Å; V870-A872 VanDerWaalsContact C-N 3.3Å; V870-A872 PolarHBondContact O-N 3.34Å; A872-E874 PolarHBondContact O-N 3.45Å; A872-A875 PolarHBondContact O-N 2.81Å; A872-A875 VanDerWaalsContact O-N 3.12Å; A872-I876 WeakPolarHBondContact O-CG1 3.47Å; A872-I876 PolarHBondContact O-N 3.41Å; A872-A887 HydrophobicContact CB-CB 3.99Å
873L89.6Confident88.6Confident45 Ų4533.9 Ų33.924%0.23620%0.199CC..Hα-helixtrans-58.9-44.3175.5-70.3176.5000112.1Y114 L869 V870 A875 I876 A887Y114-L873 HydrophobicContact CE1-CD1 4.09Å; L869-L873 HydrophobicContact CD1-CD1 3.9Å; L869-L873 HydrophobicContact CD1-CD2 4.06Å; L869-L873 HydrophobicContact CD1-CG 3.7Å; L869-L873 HydrophobicContact CD2-CD1 4.4Å; L869-L873 HydrophobicContact CG-CD1 3.81Å; L869-L873 HydrophobicContact CG-CG 4.07Å; L869-L873 WeakPolarHBondContact O-CG 3.49Å; L869-L873 PolarHBondContact O-N 3.23Å; V870-L873 PolarHBondContact O-N 3.27Å; L873-A875 VanDerWaalsContact C-N 3.26Å; L873-A875 PolarHBondContact O-N 3.38Å; L873-I876 HydrophobicContact CD2-CD1 4.07Å; L873-I876 PolarHBondContact O-N 2.96Å; L873-A887 HydrophobicContact CD2-CB 4.13Å
874E85Confident88.5Confident38 Ų3837.5 Ų37.518%0.17822%0.215CC..Hα-helixtrans-66.1-24.9176.5-73.9-163-159.200114R104 Y114 V870 P871 A872 P877 Y957R104-E874 IonicContact CZ-OE1 2.68Å; R104-E874 IonicContact CZ-OE2 3.95Å; R104-E874 IonicContact NE-OE1 3.69Å; R104-E874 IonicContact NE-OE2 2.65Å; R104-E874 PolarHBondContact NE-OE2 2.7Å; R104-E874 IonicContact NH1-OE1 3.16Å; R104-E874 PolarHBondContact NH1-OE1 3.37Å; R104-E874 IonicContact NH1-OE2 3.63Å; R104-E874 PolarHBondContact NH1-OE2 3.4Å; R104-E874 IonicContact NH2-OE2 3.3Å; Y114-E874 HydrophobicContact CE2-CG 4.02Å; V870-E874 PolarHBondContact O-N 3.39Å; P871-E874 PolarHBondContact O-N 3.04Å; A872-E874 PolarHBondContact O-N 3.45Å; E874-P877 WeakPolarHBondContact O-CD 3.28Å; E874-Y957 VanDerWaalsContact CD-CE2 3.49Å; E874-Y957 HydrophobicContact CG-CE2 4.49Å; E874-Y957 WeakPolarHBondContact OE1-CE2 3.44Å; E874-Y957 PolarHBondContact OE1-OH 2.82Å; E874-Y957 WeakPolarHBondContact OE2-CE2 3.49Å
875A86.8Confident88.5Confident10 Ų1039.1 Ų39.18%0.08322%0.223CC..Hα-helixtrans-87.7-13.1178.600000114.1P871 A872 L873 N878 A883 I953P871-A875 WeakPolarHBondContact O-CB 3.47Å; P871-A875 PolarHBondContact O-N 3.12Å; A872-A875 PolarHBondContact O-N 2.81Å; A872-A875 VanDerWaalsContact O-N 3.12Å; L873-A875 VanDerWaalsContact C-N 3.26Å; L873-A875 PolarHBondContact O-N 3.38Å; A875-N878 WeakPolarHBondContact O-CB 3.42Å; A875-N878 PolarHBondContact O-N 3.41Å; A875-N878 VanDerWaalsContact O-N 3.17Å; A875-A883 HydrophobicContact CB-CB 3.59Å; A875-I953 HydrophobicContact CB-CD1 4.28Å; A875-I953 HydrophobicContact CB-CG2 3.95Å
876I87Confident88.4Confident58 Ų5839.1 Ų39.130%0.29722%0.223SC..G310 helixtrans-56.9-43.8176.9-71.1171.8000113.4A872 L873 N878 G879 A883 K884 A887A872-I876 WeakPolarHBondContact O-CG1 3.47Å; A872-I876 PolarHBondContact O-N 3.41Å; L873-I876 HydrophobicContact CD2-CD1 4.07Å; L873-I876 PolarHBondContact O-N 2.96Å; I876-N878 PolarHBondContact O-N 3.07Å; I876-G879 PolarHBondContact O-N 3.1Å; I876-A883 HydrophobicContact CG1-CB 4.35Å; I876-K884 HydrophobicContact CG1-CG 4.05Å; I876-K884 HydrophobicContact CG2-CG 4.41Å; I876-A887 HydrophobicContact CD1-CB 4.03Å
877P85Confident88.5Confident108 Ų10839 Ų3970%0.70122%0.223SC*.G310 helixtrans-58.6-26177.2-26.536.2000114.3E874 G879E874-P877 WeakPolarHBondContact O-CD 3.28Å; P877-G879 PolarHBondContact O-N 2.83Å
878N81.6Confident88.6Confident125 Ų12540.7 Ų40.767%0.66824%0.238SC*.G310 helixtrans-76.24.6178.3-56.4-32.5000112.9A875 I876 V880A875-N878 WeakPolarHBondContact O-CB 3.42Å; A875-N878 PolarHBondContact O-N 3.41Å; A875-N878 VanDerWaalsContact O-N 3.17Å; I876-N878 PolarHBondContact O-N 3.07Å; N878-V880 HydrophobicContact CB-CG2 4.21Å; N878-V880 PolarHBondContact O-N 2.97Å; N878-V880 VanDerWaalsContact O-N 3.16Å
879G78.6Confident88.7Confident48 Ų4840.8 Ų40.850%0.49524%0.239SC..THydrogen-bonded Turntrans76-4176.500000115.3I876 P877 I881I876-G879 PolarHBondContact O-N 3.1Å; P877-G879 PolarHBondContact O-N 2.83Å; G879-I881 PolarHBondContact O-N 3.03Å
880V82Confident88.8Confident60 Ų6039.9 Ų39.936%0.36423%0.234SC..  trans-64.6119.3-173.4-177.50000110.9N878 A882 A883 I953N878-V880 HydrophobicContact CB-CG2 4.21Å; N878-V880 PolarHBondContact O-N 2.97Å; N878-V880 VanDerWaalsContact O-N 3.16Å; V880-A882 VanDerWaalsContact C-N 3.3Å; V880-A882 HydrophobicContact CG1-CB 4.06Å; V880-A882 PolarHBondContact O-N 3.09Å; V880-A883 HydrophobicContact CB-CB 4.19Å; V880-A883 WeakPolarHBondContact O-CB 3.39Å; V880-A883 PolarHBondContact O-N 3.28Å; V880-I953 HydrophobicContact CG1-CD1 4.22Å
881I87.8Confident89.2Confident125 Ų12543.2 Ų43.264%0.64125%0.251SS*.Hα-helixtrans-60.5-41.1-178.6-61.4173.9000110.9G879 A883 K884 L885G879-I881 PolarHBondContact O-N 3.03Å; I881-A883 VanDerWaalsContact C-N 3.32Å; I881-A883 PolarHBondContact O-N 3.09Å; I881-K884 WeakPolarHBondContact O-CB 3.43Å; I881-K884 PolarHBondContact O-N 3.47Å; I881-K884 VanDerWaalsContact O-N 3.15Å; I881-L885 HydrophobicContact CG2-CD1 4.41Å; I881-L885 PolarHBondContact O-N 2.84Å
882A87Confident89.5Confident17 Ų1745.5 Ų45.514%0.1426%0.262CS..Hα-helixtrans-58.4-40.1177.800000112.5V880 K884 L885 Y886V880-A882 VanDerWaalsContact C-N 3.3Å; V880-A882 HydrophobicContact CG1-CB 4.06Å; V880-A882 PolarHBondContact O-N 3.09Å; A882-K884 VanDerWaalsContact C-N 3.27Å; A882-K884 PolarHBondContact O-N 3.3Å; A882-L885 WeakPolarHBondContact O-CA 3.26Å; A882-L885 WeakPolarHBondContact O-CB 3.32Å; A882-L885 PolarHBondContact O-N 3.13Å; A882-Y886 HydrophobicContact CB-CD2 4.3Å; A882-Y886 HydrophobicContact CB-CE2 4.02Å; A882-Y886 WeakPolarHBondContact O-CD2 3.45Å; A882-Y886 PolarHBondContact O-N 2.73Å
883A90.1Very high89.8Confident0 Ų045.5 Ų45.50%026%0.262CS..Hα-helixtrans-58.6-38.5177.700000112.6A875 I876 V880 I881 A887 I953A875-A883 HydrophobicContact CB-CB 3.59Å; I876-A883 HydrophobicContact CG1-CB 4.35Å; V880-A883 HydrophobicContact CB-CB 4.19Å; V880-A883 WeakPolarHBondContact O-CB 3.39Å; V880-A883 PolarHBondContact O-N 3.28Å; I881-A883 VanDerWaalsContact C-N 3.32Å; I881-A883 PolarHBondContact O-N 3.09Å; A883-A887 WeakPolarHBondContact O-CB 3.38Å; A883-A887 PolarHBondContact O-N 2.98Å; A883-A887 VanDerWaalsContact O-N 3.08Å; A883-I953 HydrophobicContact CB-CD1 3.98Å
884K92.5Very high90.1Very high111 Ų11144 Ų4448%0.48325%0.254SS..Hα-helixtrans-68.4-35.7175.5-62176.4-178.1176.10111.9I876 I881 A882 A888I876-K884 HydrophobicContact CG1-CG 4.05Å; I876-K884 HydrophobicContact CG2-CG 4.41Å; I881-K884 WeakPolarHBondContact O-CB 3.43Å; I881-K884 PolarHBondContact O-N 3.47Å; I881-K884 VanDerWaalsContact O-N 3.15Å; A882-K884 VanDerWaalsContact C-N 3.27Å; A882-K884 PolarHBondContact O-N 3.3Å; K884-A888 VanDerWaalsContact O-CB 3.28Å; K884-A888 WeakPolarHBondContact O-CB 3.34Å; K884-A888 PolarHBondContact O-N 3.29Å
885L93.3Very high90.6Very high36 Ų3647 Ų4719%0.18827%0.27CS..Hα-helixtrans-69-48.1175.7-65174.8000111.6T811 Q814 L818 I881 A882 A887 A888 K889T811-L885 HydrophobicContact CG2-CD1 4.29Å; Q814-L885 HydrophobicContact CB-CB 4.02Å; Q814-L885 HydrophobicContact CB-CD1 4.18Å; Q814-L885 HydrophobicContact CG-CB 4.22Å; L818-L885 HydrophobicContact CD1-CD2 3.9Å; I881-L885 HydrophobicContact CG2-CD1 4.41Å; I881-L885 PolarHBondContact O-N 2.84Å; A882-L885 WeakPolarHBondContact O-CA 3.26Å; A882-L885 WeakPolarHBondContact O-CB 3.32Å; A882-L885 PolarHBondContact O-N 3.13Å; L885-A887 PolarHBondContact O-N 3.37Å; L885-A888 CarbonylContact O-C 3.59Å; L885-A888 PolarHBondContact O-N 3.25Å; L885-A888 VanDerWaalsContact O-N 3.14Å; L885-K889 PolarHBondContact O-N 3.34Å
886Y93.2Very high91.1Very high0 Ų046.5 Ų46.50%027%0.266CS..Hα-helixtrans-58.1-44.9175.9-74.2-68.1000112.5I810 L868 A882 A888 K889 A890 A948 D949 H951 I953 H954I810-Y886 HydrophobicContact CG2-CE2 4.48Å; I810-Y886 WeakPolarHBondContact CG2-OH 3.08Å; L868-Y886 HydrophobicContact CD1-CD1 4.04Å; L868-Y886 HydrophobicContact CD1-CE1 4.48Å; L868-Y886 HydrophobicContact CD2-CD1 4.35Å; L868-Y886 HydrophobicContact CG-CD1 4.28Å; A882-Y886 HydrophobicContact CB-CD2 4.3Å; A882-Y886 HydrophobicContact CB-CE2 4.02Å; A882-Y886 WeakPolarHBondContact O-CD2 3.45Å; A882-Y886 PolarHBondContact O-N 2.73Å; Y886-A888 VanDerWaalsContact C-N 3.34Å; Y886-A888 PolarHBondContact O-N 2.88Å; Y886-K889 PolarHBondContact O-N 3.43Å; Y886-A890 PolarHBondContact O-N 2.9Å; Y886-A948 PolarHBondContact OH-O 3.15Å; Y886-A948 VanDerWaalsContact OH-O 3.08Å; Y886-D949 WeakPolarHBondContact CE1-OD1 3.28Å; Y886-H951 HydrophobicContact CE2-CB 4.25Å; Y886-H951 AromaticContact CE2-CD2 3.55Å; Y886-H951 VanDerWaalsContact OH-CB 3.25Å; Y886-H951 WeakPolarHBondContact OH-CB 3.47Å; Y886-I953 HydrophobicContact CD2-CD1 4.4Å; Y886-H954 AromaticContact CD1-NE2 3.79Å; Y886-H954 AromaticContact CD2-NE2 3.96Å; Y886-H954 AromaticContact CE1-NE2 3.95Å; Y886-H954 AromaticContact CG-NE2 3.82Å
887A93.6Very high91.6Very high5 Ų543.7 Ų43.74%0.04125%0.252CS..Hα-helixtrans-64.7-38.1176.700000112.1L869 A872 L873 I876 A883 L885 I891L869-A887 HydrophobicContact CD1-CB 4.06Å; A872-A887 HydrophobicContact CB-CB 3.99Å; L873-A887 HydrophobicContact CD2-CB 4.13Å; I876-A887 HydrophobicContact CD1-CB 4.03Å; A883-A887 WeakPolarHBondContact O-CB 3.38Å; A883-A887 PolarHBondContact O-N 2.98Å; A883-A887 VanDerWaalsContact O-N 3.08Å; L885-A887 PolarHBondContact O-N 3.37Å; A887-I891 WeakPolarHBondContact O-CB 3.43Å; A887-I891 WeakPolarHBondContact O-CD1 3.47Å; A887-I891 VanDerWaalsContact O-CG1 3.28Å; A887-I891 WeakPolarHBondContact O-CG1 3.36Å; A887-I891 PolarHBondContact O-N 3.1Å; A887-I891 VanDerWaalsContact O-N 3.17Å
888A94.8Very high92Very high39 Ų3940.6 Ų40.632%0.32223%0.228SC..Hα-helixtrans-67.4-41.5174.500000112.4L818 K884 L885 Y886 M892L818-A888 HydrophobicContact CD2-CB 3.97Å; K884-A888 VanDerWaalsContact O-CB 3.28Å; K884-A888 WeakPolarHBondContact O-CB 3.34Å; K884-A888 PolarHBondContact O-N 3.29Å; L885-A888 CarbonylContact O-C 3.59Å; L885-A888 PolarHBondContact O-N 3.25Å; L885-A888 VanDerWaalsContact O-N 3.14Å; Y886-A888 VanDerWaalsContact C-N 3.34Å; Y886-A888 PolarHBondContact O-N 2.88Å; A888-M892 WeakPolarHBondContact O-CB 3.3Å; A888-M892 PolarHBondContact O-N 2.85Å
889K95.1Very high92.7Very high1 Ų136.1 Ų36.10%0.00420%0.204CC..Hα-helixtrans-58.2-59174.9175.7-175.8178-64.60109.8Y813 L821 L868 L885 Y886 I891 M892 E893 D949Y813-K889 VanDerWaalsContact OH-CE 3.27Å; Y813-K889 WeakPolarHBondContact OH-CE 3.3Å; L821-K889 HydrophobicContact CD1-CG 4.49Å; L868-K889 HydrophobicContact CD2-CD 4.18Å; L885-K889 PolarHBondContact O-N 3.34Å; Y886-K889 PolarHBondContact O-N 3.43Å; K889-I891 PolarHBondContact O-N 2.81Å; K889-M892 CarbonylContact O-C 3.59Å; K889-M892 PolarHBondContact O-N 3.4Å; K889-M892 VanDerWaalsContact O-N 3.11Å; K889-E893 WeakPolarHBondContact CE-OE2 3.19Å; K889-E893 IonicContact NZ-OE2 2.89Å; K889-E893 PolarHBondContact NZ-OE2 3.46Å; K889-E893 VanDerWaalsContact O-CB 3.3Å; K889-E893 WeakPolarHBondContact O-CB 3.46Å; K889-E893 PolarHBondContact O-N 2.87Å; K889-D949 IonicContact NZ-OD2 3.53Å
890A95Very high93.6Very high0 Ų033.9 Ų33.90%018%0.181CC..Hα-helixtrans-56.4-49.7-176.400000112.3D865 L868 L869 Y886 M892 E893 M894D865-A890 HydrophobicContact CB-CB 4.16Å; L868-A890 HydrophobicContact CB-CB 4.47Å; L868-A890 HydrophobicContact CD2-CB 4.38Å; L869-A890 HydrophobicContact CB-CB 3.86Å; L869-A890 HydrophobicContact CD1-CB 4.24Å; Y886-A890 PolarHBondContact O-N 2.9Å; A890-M892 VanDerWaalsContact C-N 3.33Å; A890-M892 PolarHBondContact O-N 2.84Å; A890-E893 PolarHBondContact O-N 3.25Å; A890-M894 WeakPolarHBondContact O-CB 3.45Å; A890-M894 WeakPolarHBondContact O-CG 3.39Å; A890-M894 PolarHBondContact O-N 2.76Å
891I95.8Very high94.2Very high78 Ų7831 Ų3140%0.416%0.163SC..Hα-helixtrans-60.8-42.4178-67.4168.1000111.3L869 A887 K889 I895L869-I891 HydrophobicContact CD1-CD1 4.02Å; L869-I891 HydrophobicContact CD1-CG1 3.81Å; L869-I891 HydrophobicContact CD2-CG1 4.14Å; A887-I891 WeakPolarHBondContact O-CB 3.43Å; A887-I891 WeakPolarHBondContact O-CD1 3.47Å; A887-I891 VanDerWaalsContact O-CG1 3.28Å; A887-I891 WeakPolarHBondContact O-CG1 3.36Å; A887-I891 PolarHBondContact O-N 3.1Å; A887-I891 VanDerWaalsContact O-N 3.17Å; K889-I891 PolarHBondContact O-N 2.81Å; I891-I895 HydrophobicContact CG2-CD1 3.87Å; I891-I895 WeakPolarHBondContact O-CB 3.41Å; I891-I895 WeakPolarHBondContact O-CD1 3.3Å; I891-I895 VanDerWaalsContact O-CG1 3.24Å; I891-I895 WeakPolarHBondContact O-CG1 3.17Å; I891-I895 PolarHBondContact O-N 2.89Å; I891-I895 VanDerWaalsContact O-N 3.12Å
892M95.8Very high94.4Very high51 Ų5126.6 Ų26.625%0.25114%0.139SC..Hα-helixtrans-71.7-35-179.6-164.7-178.4-63.200112.3L818 L821 S822 A888 K889 A890 Q896L818-M892 HydrophobicContact CD2-CE 3.65Å; L818-M892 HydrophobicContact CD2-SD 4.02Å; L821-M892 HydrophobicContact CB-CG 3.86Å; L821-M892 HydrophobicContact CB-SD 3.65Å; L821-M892 HydrophobicContact CD1-CB 4.39Å; S822-M892 PolarHBondContact OG-SD 3.45Å; S822-M892 VanDerWaalsContact OG-SD 3.37Å; A888-M892 WeakPolarHBondContact O-CB 3.3Å; A888-M892 PolarHBondContact O-N 2.85Å; K889-M892 CarbonylContact O-C 3.59Å; K889-M892 PolarHBondContact O-N 3.4Å; K889-M892 VanDerWaalsContact O-N 3.11Å; A890-M892 VanDerWaalsContact C-N 3.33Å; A890-M892 PolarHBondContact O-N 2.84Å; M892-Q896 WeakPolarHBondContact O-CB 3.36Å; M892-Q896 PolarHBondContact O-N 3.46Å
893E96.1Very high94.7Very high0 Ų025.9 Ų25.90%013%0.133CC..Hα-helixtrans-72.9-40.7179-166.7158-162.800111.6L821 M861 K889 A890 Q896 S897 N941 R978L821-E893 HydrophobicContact CD1-CB 3.86Å; L821-E893 HydrophobicContact CD1-CG 4.39Å; L821-E893 HydrophobicContact CD2-CB 4.2Å; L821-E893 HydrophobicContact CD2-CG 4.05Å; M861-E893 VanDerWaalsContact CE-CD 3.41Å; M861-E893 HydrophobicContact CE-CG 3.86Å; M861-E893 VanDerWaalsContact CE-OE1 3.25Å; M861-E893 WeakPolarHBondContact CE-OE1 3.34Å; M861-E893 HydrophobicContact SD-CG 4.19Å; K889-E893 WeakPolarHBondContact CE-OE2 3.19Å; K889-E893 IonicContact NZ-OE2 2.89Å; K889-E893 PolarHBondContact NZ-OE2 3.46Å; K889-E893 VanDerWaalsContact O-CB 3.3Å; K889-E893 WeakPolarHBondContact O-CB 3.46Å; K889-E893 PolarHBondContact O-N 2.87Å; A890-E893 PolarHBondContact O-N 3.25Å; E893-Q896 PolarHBondContact O-N 3.49Å; E893-S897 WeakPolarHBondContact O-CB 3.21Å; E893-S897 PolarHBondContact O-N 3.29Å; E893-S897 PolarHBondContact O-OG 3.03Å; E893-N941 PolarHBondContact OE1-ND2 3.36Å; E893-R978 IonicContact OE1-CZ 3.25Å; E893-R978 IonicContact OE1-NE 3.72Å; E893-R978 IonicContact OE1-NH2 2.64Å; E893-R978 PolarHBondContact OE1-NH2 3.48Å
894M96.2Very high94.8Very high14 Ų1425.9 Ų25.97%0.06913%0.133CC..Hα-helixtrans-58.4-48.5169.7-67.4157.771.500111.3F89 L862 D865 L866 L869 A890 S897 M898F89-M894 HydrophobicContact CE2-CE 3.51Å; F89-M894 HydrophobicContact CZ-CE 3.81Å; L862-M894 HydrophobicContact CD2-CB 4.07Å; L862-M894 HydrophobicContact CD2-CG 3.95Å; D865-M894 HydrophobicContact CB-CG 3.41Å; D865-M894 VanDerWaalsContact CB-CG 3.41Å; D865-M894 HydrophobicContact CB-SD 3.67Å; L866-M894 HydrophobicContact CD2-CE 3.65Å; L866-M894 HydrophobicContact CG-CE 4.13Å; L869-M894 HydrophobicContact CD2-CE 4.41Å; L869-M894 HydrophobicContact CD2-SD 4.2Å; A890-M894 WeakPolarHBondContact O-CB 3.45Å; A890-M894 WeakPolarHBondContact O-CG 3.39Å; A890-M894 PolarHBondContact O-N 2.76Å; M894-S897 PolarHBondContact O-OG 2.96Å; M894-S897 VanDerWaalsContact O-OG 3.1Å; M894-M898 WeakPolarHBondContact O-CB 3.43Å; M894-M898 VanDerWaalsContact O-CG 3.24Å; M894-M898 WeakPolarHBondContact O-CG 3.42Å; M894-M898 PolarHBondContact O-N 3.4Å; M894-M898 VanDerWaalsContact O-N 3.15Å
895I95.4Very high94.6Very high100 Ų10021 Ų2151%0.51311%0.112SC..Hα-helixtrans-65.6-44.7177.8-69.2168.4000111.6I891 L899I891-I895 HydrophobicContact CG2-CD1 3.87Å; I891-I895 WeakPolarHBondContact O-CB 3.41Å; I891-I895 WeakPolarHBondContact O-CD1 3.3Å; I891-I895 VanDerWaalsContact O-CG1 3.24Å; I891-I895 WeakPolarHBondContact O-CG1 3.17Å; I891-I895 PolarHBondContact O-N 2.89Å; I891-I895 VanDerWaalsContact O-N 3.12Å; I895-L899 WeakPolarHBondContact O-CB 3.19Å; I895-L899 PolarHBondContact O-N 2.83Å
896Q97.1Very high94.3Very high0 Ų019.8 Ų19.80%011%0.106CC..Hα-helixtrans-67.4-43-177.3-172.9-76.8-4200111.6L821 S824 T825 M892 E893 L899 Q900L821-Q896 HydrophobicContact CD2-CB 4.11Å; L821-Q896 HydrophobicContact CD2-CG 4.05Å; S824-Q896 PolarHBondContact OG-NE2 3.02Å; T825-Q896 WeakPolarHBondContact OG1-CB 3.11Å; T825-Q896 WeakPolarHBondContact OG1-CG 3.44Å; M892-Q896 WeakPolarHBondContact O-CB 3.36Å; M892-Q896 PolarHBondContact O-N 3.46Å; E893-Q896 PolarHBondContact O-N 3.49Å; Q896-L899 PolarHBondContact O-N 3Å; Q896-Q900 VanDerWaalsContact O-CB 3.24Å; Q896-Q900 WeakPolarHBondContact O-CB 3.25Å; Q896-Q900 PolarHBondContact O-N 3.31Å
897S96.8Very high94Very high0 Ų019.9 Ų19.90%011%0.106CC..Hα-helixtrans-66.3-48.3179.358.90000111.4E893 M894 L899 Q900 V901E893-S897 WeakPolarHBondContact O-CB 3.21Å; E893-S897 PolarHBondContact O-N 3.29Å; E893-S897 PolarHBondContact O-OG 3.03Å; M894-S897 PolarHBondContact O-OG 2.96Å; M894-S897 VanDerWaalsContact O-OG 3.1Å; S897-L899 PolarHBondContact O-N 3.09Å; S897-Q900 PolarHBondContact O-N 3.42Å; S897-V901 WeakPolarHBondContact O-CG2 3.24Å; S897-V901 PolarHBondContact O-N 2.84Å
898M95.2Very high93.5Very high43 Ų4321 Ų2121%0.21211%0.114CC..Hα-helixtrans-59-44.5174.5-69.5177.77600112L85 F89 L858 L862 M894 Q900 V901 F902L85-M898 HydrophobicContact CB-CE 4.26Å; F89-M898 HydrophobicContact CB-CE 3.74Å; F89-M898 HydrophobicContact CB-SD 4.27Å; F89-M898 HydrophobicContact CD2-CE 4.03Å; F89-M898 HydrophobicContact CD2-SD 3.45Å; F89-M898 WeakPolarHBondContact CD2-SD 3.46Å; F89-M898 HydrophobicContact CE2-SD 4.07Å; F89-M898 HydrophobicContact CG-CE 4.04Å; F89-M898 HydrophobicContact CG-SD 4.08Å; L858-M898 HydrophobicContact CD1-CG 4.42Å; L862-M898 HydrophobicContact CD2-CG 4.3Å; L862-M898 HydrophobicContact CD2-SD 4.4Å; M894-M898 WeakPolarHBondContact O-CB 3.43Å; M894-M898 VanDerWaalsContact O-CG 3.24Å; M894-M898 WeakPolarHBondContact O-CG 3.42Å; M894-M898 PolarHBondContact O-N 3.4Å; M894-M898 VanDerWaalsContact O-N 3.15Å; M898-Q900 VanDerWaalsContact C-N 3.34Å; M898-Q900 PolarHBondContact O-N 2.86Å; M898-V901 PolarHBondContact O-N 3.33Å; M898-F902 WeakPolarHBondContact O-CB 3.5Å; M898-F902 PolarHBondContact O-N 3.35Å
899L95.7Very high92.8Very high31 Ų3120.3 Ų20.316%0.16210%0.103CC..Hα-helixtrans-64.4-37.1176.8-179.867.2000112.4T825 C828 L829 L832 I895 Q896 S897 F903T825-L899 HydrophobicContact CG2-CD2 3.84Å; C828-L899 HydrophobicContact CB-CD2 3.88Å; C828-L899 HydrophobicContact CB-CG 4.01Å; L829-L899 HydrophobicContact CD2-CD1 4.05Å; L829-L899 HydrophobicContact CD2-CD2 3.95Å; L829-L899 HydrophobicContact CG-CD2 3.96Å; L832-L899 HydrophobicContact CD1-CD1 3.66Å; L832-L899 HydrophobicContact CD1-CG 4.48Å; I895-L899 WeakPolarHBondContact O-CB 3.19Å; I895-L899 PolarHBondContact O-N 2.83Å; Q896-L899 PolarHBondContact O-N 3Å; S897-L899 PolarHBondContact O-N 3.09Å; L899-F903 WeakPolarHBondContact O-CB 3.45Å; L899-F903 PolarHBondContact O-N 2.94Å
900Q96.2Very high92Very high0 Ų020.7 Ų20.70%010%0.104CC..Hα-helixtrans-70.2-41.3177.9-178.7168.9-73.500112Q896 S897 M898 F903 I904 N934 S981Q896-Q900 VanDerWaalsContact O-CB 3.24Å; Q896-Q900 WeakPolarHBondContact O-CB 3.25Å; Q896-Q900 PolarHBondContact O-N 3.31Å; S897-Q900 PolarHBondContact O-N 3.42Å; M898-Q900 VanDerWaalsContact C-N 3.34Å; M898-Q900 PolarHBondContact O-N 2.86Å; Q900-F903 PolarHBondContact O-N 3.07Å; Q900-I904 HydrophobicContact CG-CD1 3.98Å; Q900-I904 WeakPolarHBondContact O-CG1 3.45Å; Q900-I904 PolarHBondContact O-N 3.49Å; Q900-N934 PolarHBondContact NE2-OD1 2.69Å; Q900-N934 PolarHBondContact OE1-ND2 3.19Å; Q900-N934 PolarHBondContact OE1-OD1 2.9Å; Q900-S981 VanDerWaalsContact NE2-CB 3.29Å; Q900-S981 PolarHBondContact NE2-OG 3.42Å; Q900-S981 VanDerWaalsContact NE2-OG 3.09Å
901V95.1Very high91.2Very high0 Ų021.8 Ų21.80%011%0.111CC..Hα-helixtrans-65.8-43.1174179.20000110.5L85 L854 L855 L858 S897 M898 F903 I904 L905 F977L85-V901 HydrophobicContact CD2-CB 4.08Å; L85-V901 HydrophobicContact CD2-CG1 3.84Å; L854-V901 HydrophobicContact CD1-CG2 4.24Å; L854-V901 HydrophobicContact CD2-CB 4.42Å; L854-V901 HydrophobicContact CD2-CG1 4.02Å; L854-V901 HydrophobicContact CD2-CG2 4.1Å; L854-V901 HydrophobicContact CG-CG1 4.25Å; L854-V901 HydrophobicContact CG-CG2 3.91Å; L855-V901 HydrophobicContact CD2-CG1 3.93Å; L858-V901 HydrophobicContact CB-CG2 4.26Å; L858-V901 HydrophobicContact CD1-CG2 4.15Å; L858-V901 HydrophobicContact CD2-CB 4.29Å; L858-V901 HydrophobicContact CD2-CG1 4.38Å; L858-V901 HydrophobicContact CD2-CG2 4.09Å; L858-V901 HydrophobicContact CG-CG2 4.39Å; S897-V901 WeakPolarHBondContact O-CG2 3.24Å; S897-V901 PolarHBondContact O-N 2.84Å; M898-V901 PolarHBondContact O-N 3.33Å; V901-F903 VanDerWaalsContact C-N 3.29Å; V901-F903 PolarHBondContact O-N 3.16Å; V901-I904 PolarHBondContact O-N 2.93Å; V901-I904 VanDerWaalsContact O-N 3.1Å; V901-L905 HydrophobicContact CG1-CD1 3.97Å; V901-L905 HydrophobicContact CG1-CG 4.13Å; V901-L905 WeakPolarHBondContact O-CG 3.33Å; V901-L905 PolarHBondContact O-N 3.4Å; V901-F977 HydrophobicContact CG2-CE2 3.57Å; V901-F977 HydrophobicContact CG2-CZ 3.91Å
902F92.2Very high90.3Very high32 Ų3218.1 Ų18.114%0.149%0.093CC..Hα-helixtrans-55.1-44.8171.8178.5-111.2000112A78 L82 L85 L832 M898 E906A78-F902 HydrophobicContact CB-CE2 4.26Å; A78-F902 HydrophobicContact CB-CZ 4.13Å; L82-F902 HydrophobicContact CD1-CE2 4.28Å; L82-F902 HydrophobicContact CD1-CZ 4.47Å; L82-F902 HydrophobicContact CD2-CD2 3.9Å; L82-F902 HydrophobicContact CD2-CE2 3.99Å; L82-F902 HydrophobicContact CD2-CG 4.32Å; L82-F902 HydrophobicContact CD2-CZ 4.46Å; L82-F902 HydrophobicContact CG-CD2 4Å; L82-F902 HydrophobicContact CG-CE2 3.69Å; L82-F902 HydrophobicContact CG-CZ 4.3Å; L85-F902 HydrophobicContact CD1-CB 3.6Å; L85-F902 HydrophobicContact CD1-CD2 4.33Å; L85-F902 HydrophobicContact CD1-CG 4.44Å; L832-F902 HydrophobicContact CD1-CD1 4.02Å; L832-F902 HydrophobicContact CD1-CE1 4.24Å; L832-F902 HydrophobicContact CD2-CD1 3.91Å; L832-F902 HydrophobicContact CD2-CE1 3.74Å; M898-F902 WeakPolarHBondContact O-CB 3.5Å; M898-F902 PolarHBondContact O-N 3.35Å; F902-E906 HydrophobicContact CD2-CG 4.47Å; F902-E906 HydrophobicContact CE2-CG 3.88Å; F902-E906 HydrophobicContact CZ-CG 3.91Å; F902-E906 WeakPolarHBondContact O-CB 3.35Å; F902-E906 PolarHBondContact O-N 3.49Å
903F93.2Very high89Confident2 Ų217.4 Ų17.41%0.00910%0.098CC..Hα-helixtrans-62-43174.8171.6-117000112.8S831 L832 L835 L899 Q900 V901 A907 I927 L930 L985S831-F903 VanDerWaalsContact CB-CZ 3.43Å; L832-F903 HydrophobicContact CB-CD2 4.43Å; L832-F903 HydrophobicContact CD1-CB 4.34Å; L832-F903 HydrophobicContact CD2-CB 4.12Å; L832-F903 HydrophobicContact CD2-CD2 3.88Å; L832-F903 HydrophobicContact CG-CB 3.96Å; L832-F903 HydrophobicContact CG-CD2 3.71Å; L832-F903 HydrophobicContact CG-CG 4.22Å; L835-F903 HydrophobicContact CD1-CE2 4.17Å; L835-F903 HydrophobicContact CD1-CZ 4.31Å; L835-F903 HydrophobicContact CD2-CE2 3.98Å; L835-F903 HydrophobicContact CD2-CZ 4.17Å; L835-F903 HydrophobicContact CG-CE2 4.47Å; L899-F903 WeakPolarHBondContact O-CB 3.45Å; L899-F903 PolarHBondContact O-N 2.94Å; Q900-F903 PolarHBondContact O-N 3.07Å; V901-F903 VanDerWaalsContact C-N 3.29Å; V901-F903 PolarHBondContact O-N 3.16Å; F903-A907 HydrophobicContact CD2-CB 4.36Å; F903-A907 HydrophobicContact CE2-CB 3.98Å; F903-A907 HydrophobicContact CZ-CB 4.18Å; F903-A907 WeakPolarHBondContact O-CB 3.48Å; F903-A907 PolarHBondContact O-N 3.26Å; F903-I927 HydrophobicContact CZ-CG1 4.37Å; F903-L930 HydrophobicContact CD1-CD2 3.88Å; F903-L930 HydrophobicContact CE1-CD2 3.71Å; F903-L985 HydrophobicContact CD1-CD2 4.13Å; F903-L985 HydrophobicContact CE1-CD2 3.66Å
904I92.2Very high87.9Confident0 Ų020.2 Ų20.20%012%0.116CC..Hα-helixtrans-66.1-48.4180-70164.6000110.7L854 Q900 V901 E906 A907 S908 C984 L985 I988L854-I904 HydrophobicContact CD1-CD1 4.42Å; L854-I904 HydrophobicContact CD2-CB 3.81Å; L854-I904 HydrophobicContact CD2-CD1 3.76Å; L854-I904 HydrophobicContact CD2-CG1 4.39Å; L854-I904 HydrophobicContact CD2-CG2 3.52Å; Q900-I904 HydrophobicContact CG-CD1 3.98Å; Q900-I904 WeakPolarHBondContact O-CG1 3.45Å; Q900-I904 PolarHBondContact O-N 3.49Å; V901-I904 PolarHBondContact O-N 2.93Å; V901-I904 VanDerWaalsContact O-N 3.1Å; I904-E906 PolarHBondContact O-N 3Å; I904-A907 CarbonylContact O-C 3.56Å; I904-A907 PolarHBondContact O-N 3.44Å; I904-S908 WeakPolarHBondContact O-CB 3.48Å; I904-S908 PolarHBondContact O-N 2.83Å; I904-C984 HydrophobicContact CD1-CB 4.48Å; I904-C984 HydrophobicContact CG2-CB 3.63Å; I904-L985 HydrophobicContact CD1-CD2 4.41Å; I904-L985 HydrophobicContact CD1-CG 4.13Å; I904-L985 HydrophobicContact CG1-CD2 3.99Å; I904-L985 HydrophobicContact CG1-CG 4.21Å; I904-I988 HydrophobicContact CB-CD1 4.42Å; I904-I988 HydrophobicContact CG1-CD1 4.41Å; I904-I988 HydrophobicContact CG2-CD1 4.04Å
905L88.3Confident86.9Confident9 Ų924.5 Ų24.55%0.04714%0.138CC..Hα-helixtrans-58.7-44.2176.8-65.3174.3000112.2D851 V901 A907 S908 R909D851-L905 HydrophobicContact CB-CD2 3.71Å; V901-L905 HydrophobicContact CG1-CD1 3.97Å; V901-L905 HydrophobicContact CG1-CG 4.13Å; V901-L905 WeakPolarHBondContact O-CG 3.33Å; V901-L905 PolarHBondContact O-N 3.4Å; L905-A907 VanDerWaalsContact C-N 3.3Å; L905-A907 PolarHBondContact O-N 3Å; L905-S908 PolarHBondContact O-OG 2.69Å; L905-R909 WeakPolarHBondContact O-CG 3.29Å
906E86.4Confident85.9Confident11 Ų1124.7 Ų24.75%0.05114%0.137CC..Hα-helixtrans-72.1-21.2176.5-88.4-74.1122.400113.3S77 A78 F902 I904 R910S77-E906 VanDerWaalsContact CB-OE1 3.23Å; S77-E906 WeakPolarHBondContact CB-OE1 3.35Å; S77-E906 PolarHBondContact OG-OE1 3.01Å; A78-E906 PolarHBondContact N-OE1 3.37Å; F902-E906 HydrophobicContact CD2-CG 4.47Å; F902-E906 HydrophobicContact CE2-CG 3.88Å; F902-E906 HydrophobicContact CZ-CG 3.91Å; F902-E906 WeakPolarHBondContact O-CB 3.35Å; F902-E906 PolarHBondContact O-N 3.49Å; I904-E906 PolarHBondContact O-N 3Å; E906-R910 WeakPolarHBondContact O-CD 3.23Å; E906-R910 WeakPolarHBondContact O-CG 3.26Å; E906-R910 PolarHBondContact O-NE 3.33Å; E906-R910 IonicContact OE2-CZ 3.68Å; E906-R910 IonicContact OE2-NE 2.76Å; E906-R910 IonicContact OE2-NH2 2.8Å; E906-R910 PolarHBondContact OE2-NH2 3.05Å
907A87.5Confident85.1Confident1 Ų126.3 Ų26.31%0.00815%0.145CC..Hα-helixtrans-95.2-27.9-179.900000113.6L835 F903 I904 L905 R909 R910 I988L835-A907 HydrophobicContact CD2-CB 3.63Å; F903-A907 HydrophobicContact CD2-CB 4.36Å; F903-A907 HydrophobicContact CE2-CB 3.98Å; F903-A907 HydrophobicContact CZ-CB 4.18Å; F903-A907 WeakPolarHBondContact O-CB 3.48Å; F903-A907 PolarHBondContact O-N 3.26Å; I904-A907 CarbonylContact O-C 3.56Å; I904-A907 PolarHBondContact O-N 3.44Å; L905-A907 VanDerWaalsContact C-N 3.3Å; L905-A907 PolarHBondContact O-N 3Å; A907-R909 VanDerWaalsContact C-N 3.26Å; A907-R909 PolarHBondContact O-N 3.16Å; A907-R910 PolarHBondContact O-N 3.35Å; A907-I988 HydrophobicContact CB-CD1 3.76Å; A907-I988 HydrophobicContact CB-CG1 4.28Å; A907-I988 HydrophobicContact CB-CG2 3.95Å
908S83.5Confident84Confident28 Ų2827.1 Ų27.120%0.19615%0.15CC..Hα-helixtrans-64.8-35175.980.70000110.8V847 D851 I904 L905 R910V847-S908 VanDerWaalsContact CG1-CB 3.47Å; D851-S908 PolarHBondContact OD2-OG 2.93Å; I904-S908 WeakPolarHBondContact O-CB 3.48Å; I904-S908 PolarHBondContact O-N 2.83Å; L905-S908 PolarHBondContact O-OG 2.69Å; S908-R910 VanDerWaalsContact C-N 3.31Å; S908-R910 PolarHBondContact O-N 2.81Å
909R79.3Confident83Confident25 Ų2530.1 Ų30.19%0.09416%0.163CC..THydrogen-bonded Turntrans-79.47.1174.5-58.3179.672.2161.110.1115.3S77 L840 S841 L843 L905 A907S77-R909 PolarHBondContact OG-NH1 2.85Å; L840-R909 CarbonylContact C-O 3.32Å; L840-R909 HydrophobicContact CD1-CB 3.8Å; S841-R909 PolarHBondContact N-O 3.31Å; L843-R909 HydrophobicContact CD1-CG 4.11Å; L905-R909 WeakPolarHBondContact O-CG 3.29Å; A907-R909 VanDerWaalsContact C-N 3.26Å; A907-R909 PolarHBondContact O-N 3.16Å
910R79.6Confident82.2Confident10 Ų1033.7 Ų33.74%0.03818%0.177CC..EExtended strand (participates in β ladder)trans-112.2132.8-172.6-77.8174.1-169.2-78.9-11.7114L835 L838 K839 E906 A907 S908 A992L835-R910 PolarHBondContact O-NH1 3.43Å; L838-R910 HydrophobicContact CB-CB 3.87Å; L838-R910 HydrophobicContact CB-CG 4.22Å; L838-R910 HydrophobicContact CD1-CB 4.12Å; L838-R910 PolarHBondContact O-NH1 3.33Å; K839-R910 WeakPolarHBondContact O-CA 3.13Å; E906-R910 WeakPolarHBondContact O-CD 3.23Å; E906-R910 WeakPolarHBondContact O-CG 3.26Å; E906-R910 PolarHBondContact O-NE 3.33Å; E906-R910 IonicContact OE2-CZ 3.68Å; E906-R910 IonicContact OE2-NE 2.76Å; E906-R910 IonicContact OE2-NH2 2.8Å; E906-R910 PolarHBondContact OE2-NH2 3.05Å; A907-R910 PolarHBondContact O-N 3.35Å; S908-R910 VanDerWaalsContact C-N 3.31Å; S908-R910 PolarHBondContact O-N 2.81Å; R910-A992 WeakPolarHBondContact O-CA 3.37Å; R910-A992 WeakPolarHBondContact O-CB 3.2Å
911C77.8Confident81.5Confident22 Ų2235 Ų3515%0.14918%0.183CC..EExtended strand (participates in β ladder)trans-132.4158.7179.6-79.60000113.1K839 G913 A992K839-C911 PolarHBondContact N-O 2.89Å; K839-C911 PolarHBondContact O-N 3.46Å; C911-G913 PolarHBondContact O-N 3.11Å; C911-G913 VanDerWaalsContact O-N 3.07Å; C911-A992 CarbonylContact C-O 3.53Å
912A76.4Confident81Confident1 Ų136 Ų361%0.00819%0.189CC..  trans-81.784.9179.600000111.5L838 T914 H917 V918 A992 F995L838-A912 HydrophobicContact CD2-CB 4.25Å; A912-T914 PolarHBondContact O-N 3.21Å; A912-H917 HydrophobicContact CB-CB 3.95Å; A912-V918 HydrophobicContact CB-CG2 3.74Å; A912-A992 PolarHBondContact N-O 3.26Å; A912-A992 VanDerWaalsContact N-O 3.13Å; A912-F995 VanDerWaalsContact O-CD2 3.25Å; A912-F995 WeakPolarHBondContact O-CD2 3.38Å
913G68.9Low80.8Confident36 Ų3634.8 Ų34.837%0.37119%0.187SC..  trans-70-0.1178.200000116.4C911C911-G913 PolarHBondContact O-N 3.11Å; C911-G913 VanDerWaalsContact O-N 3.07Å
914T73.8Confident80.6Confident59 Ų5936.1 Ų36.136%0.36219%0.192SC..SBendtrans-137.9152.8174.874.20000110.9A912 E916 H917 V918A912-T914 PolarHBondContact O-N 3.21Å; T914-E916 PolarHBondContact O-N 3.39Å; T914-H917 PolarHBondContact O-N 2.98Å; T914-H917 VanDerWaalsContact O-N 3.1Å; T914-H917 PolarHBondContact OG1-CD2 2.76Å; T914-H917 PolarHBondContact OG1-N 3.37Å; T914-H917 VanDerWaalsContact OG1-N 3.11Å; T914-H917 PolarHBondContact OG1-ND1 3.11Å; T914-V918 PolarHBondContact O-N 2.87Å
915L74.3Confident80.6Confident104 Ų10438.3 Ų38.355%0.54521%0.205SC..Hα-helixtrans-62.7-31.8174.8-173.463000112H917 V918 Q919L915-H917 VanDerWaalsContact C-N 3.33Å; L915-H917 PolarHBondContact O-N 3Å; L915-V918 PolarHBondContact O-N 3.37Å; L915-Q919 WeakPolarHBondContact O-CG 3.47Å; L915-Q919 PolarHBondContact O-N 3.46Å; L915-Q919 VanDerWaalsContact O-N 3.08Å
916E74.3Confident80.8Confident104 Ų10440.3 Ų40.349%0.48621%0.214SC..Hα-helixtrans-61-42.6172.6-161.5-157.1150.300110.9T914 V918 Q919 K920T914-E916 PolarHBondContact O-N 3.39Å; E916-V918 VanDerWaalsContact C-N 3.31Å; E916-V918 PolarHBondContact O-N 3.08Å; E916-Q919 PolarHBondContact O-N 3.16Å; E916-K920 WeakPolarHBondContact O-CB 3.37Å; E916-K920 PolarHBondContact O-N 3.37Å; E916-K920 VanDerWaalsContact OE1-CD 3.31Å; E916-K920 WeakPolarHBondContact OE1-CD 3.26Å; E916-K920 WeakPolarHBondContact OE1-CE 3.3Å; E916-K920 IonicContact OE1-NZ 2.66Å; E916-K920 PolarHBondContact OE1-NZ 3.3Å
917H79.5Confident81.1Confident34 Ų3439.8 Ų39.816%0.15721%0.212CC..Hα-helixtrans-63.5-35.9177.6-64.3162.1000112.6A837 L838 A912 T914 L915 K921 P922A837-H917 PolarHBondContact O-CE1 2.88Å; L838-H917 HydrophobicContact CD2-CB 4.22Å; A912-H917 HydrophobicContact CB-CB 3.95Å; T914-H917 PolarHBondContact O-N 2.98Å; T914-H917 VanDerWaalsContact O-N 3.1Å; T914-H917 PolarHBondContact OG1-CD2 2.76Å; T914-H917 PolarHBondContact OG1-N 3.37Å; T914-H917 VanDerWaalsContact OG1-N 3.11Å; T914-H917 PolarHBondContact OG1-ND1 3.11Å; L915-H917 VanDerWaalsContact C-N 3.33Å; L915-H917 PolarHBondContact O-N 3Å; H917-K921 WeakPolarHBondContact O-CA 3.49Å; H917-K921 PolarHBondContact O-N 3.17Å; H917-P922 WeakPolarHBondContact O-CD 3.37Å
918V74.6Confident81.3Confident18 Ų1840.1 Ų40.111%0.10921%0.214CC..Hα-helixtrans-64.7-39.3174.2-179.80000112A912 T914 L915 E916 K921 F995A912-V918 HydrophobicContact CB-CG2 3.74Å; T914-V918 PolarHBondContact O-N 2.87Å; L915-V918 PolarHBondContact O-N 3.37Å; E916-V918 VanDerWaalsContact C-N 3.31Å; E916-V918 PolarHBondContact O-N 3.08Å; V918-K921 WeakPolarHBondContact O-CE 3.29Å; V918-K921 WeakPolarHBondContact O-CG 3.26Å; V918-F995 HydrophobicContact CG2-CB 4.06Å; V918-F995 HydrophobicContact CG2-CD2 4.14Å
919Q73.6Confident81.9Confident106 Ų10639.8 Ų39.850%0.49521%0.209SC..Hα-helixtrans-79.9-43.3179.3-67.9176-5.500112.9R774 L915 E916R774-Q919 PolarHBondContact NH1-O 3.18Å; L915-Q919 WeakPolarHBondContact O-CG 3.47Å; L915-Q919 PolarHBondContact O-N 3.46Å; L915-Q919 VanDerWaalsContact O-N 3.08Å; E916-Q919 PolarHBondContact O-N 3.16Å
920K79.2Confident82.6Confident106 Ų10638.6 Ų38.646%0.46121%0.205SC..Hα-helixtrans-72.2-30.1-176.7-162.8177.8-153.4162.10112.1R774 E916R774-K920 PolarHBondContact NE-O 3.42Å; E916-K920 WeakPolarHBondContact O-CB 3.37Å; E916-K920 PolarHBondContact O-N 3.37Å; E916-K920 VanDerWaalsContact OE1-CD 3.31Å; E916-K920 WeakPolarHBondContact OE1-CD 3.26Å; E916-K920 WeakPolarHBondContact OE1-CE 3.3Å; E916-K920 IonicContact OE1-NZ 2.66Å; E916-K920 PolarHBondContact OE1-NZ 3.3Å
921K82.6Confident83.3Confident26 Ų2639.4 Ų39.411%0.11321%0.21CC..  trans44.557.5-178.2-55.6-174.9-176.7178.40112.1F769 E771 H917 V918 G923 R924 Y993F769-K921 PolarHBondContact O-NZ 3.37Å; E771-K921 PolarHBondContact O-NZ 3.42Å; H917-K921 WeakPolarHBondContact O-CA 3.49Å; H917-K921 PolarHBondContact O-N 3.17Å; V918-K921 WeakPolarHBondContact O-CE 3.29Å; V918-K921 WeakPolarHBondContact O-CG 3.26Å; K921-G923 PolarHBondContact O-N 3.18Å; K921-R924 HydrophobicContact CB-CB 3.82Å; K921-R924 HydrophobicContact CB-CG 4.23Å; K921-R924 WeakPolarHBondContact O-CB 3.46Å; K921-R924 PolarHBondContact O-N 3.02Å; K921-R924 VanDerWaalsContact O-N 3.13Å; K921-Y993 VanDerWaalsContact C-CE1 3.46Å; K921-Y993 HydrophobicContact CB-CD1 3.93Å; K921-Y993 HydrophobicContact CB-CE1 4.04Å; K921-Y993 HydrophobicContact CB-CG 4.47Å; K921-Y993 HydrophobicContact CG-CD1 4.19Å; K921-Y993 HydrophobicContact CG-CG 4.44Å
922P84.6Confident84.1Confident21 Ų2139.1 Ų39.114%0.13621%0.207CC..THydrogen-bonded Turntrans-57.8133.3-174.125.7-35.4000111.8L838 H917 R924 Y993L838-P922 HydrophobicContact CD2-CG 4.23Å; L838-P922 HydrophobicContact CG-CG 4.45Å; H917-P922 WeakPolarHBondContact O-CD 3.37Å; P922-R924 PolarHBondContact O-N 3.43Å; P922-Y993 HydrophobicContact CG-CE1 4.43Å; P922-Y993 VanDerWaalsContact O-CE1 3.3Å; P922-Y993 WeakPolarHBondContact O-CE1 3.07Å; P922-Y993 PolarHBondContact O-OH 2.93Å
923G87.5Confident85.1Confident8 Ų839.1 Ų39.18%0.08221%0.207CC..THydrogen-bonded Turntrans78.1-10.4-177.900000116.1K921 T925 M926 I927K921-G923 PolarHBondContact O-N 3.18Å; G923-T925 VanDerWaalsContact C-N 3.29Å; G923-T925 PolarHBondContact O-N 2.95Å; G923-T925 VanDerWaalsContact O-N 3.13Å; G923-M926 WeakPolarHBondContact O-CA 3.25Å; G923-M926 WeakPolarHBondContact O-CB 3.4Å; G923-M926 PolarHBondContact O-N 3.26Å; G923-I927 PolarHBondContact O-N 2.96Å
924R88.9Confident86.3Confident30 Ų3037.4 Ų37.411%0.11319%0.189CC..Hα-helixtrans-54.5-38.5-172.7178.252.5160.1-120.117114.4S775 K921 P922 T928 W989 Y993S775-R924 WeakPolarHBondContact OG-CG 3.46Å; S775-R924 PolarHBondContact OG-NE 2.91Å; K921-R924 HydrophobicContact CB-CB 3.82Å; K921-R924 HydrophobicContact CB-CG 4.23Å; K921-R924 WeakPolarHBondContact O-CB 3.46Å; K921-R924 PolarHBondContact O-N 3.02Å; K921-R924 VanDerWaalsContact O-N 3.13Å; P922-R924 PolarHBondContact O-N 3.43Å; R924-T928 WeakPolarHBondContact O-CB 3.43Å; R924-T928 PolarHBondContact O-N 3.22Å; R924-T928 PolarHBondContact O-OG1 2.71Å; R924-W989 PolarHBondContact NH1-O 2.82Å; R924-W989 VanDerWaalsContact NH2-CH2 3.31Å; R924-W989 VanDerWaalsContact NH2-CZ3 3.31Å; R924-W989 PolarHBondContact NH2-O 2.71Å; R924-Y993 WeakPolarHBondContact CA-OH 3.3Å; R924-Y993 HydrophobicContact CB-CE2 4.33Å; R924-Y993 PolarHBondContact N-OH 3.25Å
925T91.3Very high87.2Confident45 Ų4537.5 Ų37.528%0.27619%0.187SC..Hα-helixtrans-64.9-39.8174.8440000112.4R774 G778 G923 T928 F929R774-T925 VanDerWaalsContact O-CG2 3.22Å; R774-T925 WeakPolarHBondContact O-CG2 3.23Å; G778-T925 WeakPolarHBondContact CA-O 3.48Å; G923-T925 VanDerWaalsContact C-N 3.29Å; G923-T925 PolarHBondContact O-N 2.95Å; G923-T925 VanDerWaalsContact O-N 3.13Å; T925-T928 PolarHBondContact O-N 3.19Å; T925-F929 PolarHBondContact O-N 2.91Å
926M92.6Very high88.2Confident51 Ų5132.6 Ų32.625%0.25116%0.161SC..Hα-helixtrans-69.7-42.7179.3-50.9-71.887.400111.2I830 S831 G923 T928 F929 L930I830-M926 HydrophobicContact CB-SD 4.49Å; I830-M926 HydrophobicContact CG2-CG 4.02Å; I830-M926 HydrophobicContact CG2-SD 3.66Å; S831-M926 VanDerWaalsContact OG-CB 3.23Å; S831-M926 WeakPolarHBondContact OG-CB 3.44Å; G923-M926 WeakPolarHBondContact O-CA 3.25Å; G923-M926 WeakPolarHBondContact O-CB 3.4Å; G923-M926 PolarHBondContact O-N 3.26Å; M926-T928 VanDerWaalsContact C-N 3.3Å; M926-T928 PolarHBondContact O-N 3.2Å; M926-F929 PolarHBondContact O-N 2.75Å; M926-L930 WeakPolarHBondContact O-CB 3.08Å; M926-L930 PolarHBondContact O-N 3.28Å
927I92.7Very high89.2Confident0 Ų027.6 Ų27.60%014%0.138CC..Hα-helixtrans-60.4-41.9172.5-52.7172.8000110.6L835 F903 G923 F929 L930 L931 I988 W989 Y993L835-I927 HydrophobicContact CD1-CD1 4.15Å; L835-I927 HydrophobicContact CD1-CG1 4.34Å; L835-I927 HydrophobicContact CD2-CD1 4.23Å; F903-I927 HydrophobicContact CZ-CG1 4.37Å; G923-I927 PolarHBondContact O-N 2.96Å; I927-F929 VanDerWaalsContact C-N 3.3Å; I927-F929 PolarHBondContact O-N 2.93Å; I927-L930 PolarHBondContact O-N 3.49Å; I927-L931 HydrophobicContact CG2-CD1 4.37Å; I927-L931 WeakPolarHBondContact O-CB 3.12Å; I927-L931 WeakPolarHBondContact O-CG 3.42Å; I927-L931 PolarHBondContact O-N 3Å; I927-I988 HydrophobicContact CD1-CG2 4.03Å; I927-W989 HydrophobicContact CG2-CB 4.04Å; I927-Y993 HydrophobicContact CD1-CE2 4.16Å; I927-Y993 WeakPolarHBondContact CD1-OH 3.41Å
928T92.8Very high89.9Confident9 Ų927.6 Ų27.66%0.05514%0.137CC..Hα-helixtrans-64.3-35.6178.3-49.50000111.8S775 L779 R924 T925 M926 W989S775-T928 PolarHBondContact OG-OG1 3.42Å; L779-T928 HydrophobicContact CB-CG2 3.86Å; L779-T928 HydrophobicContact CD1-CG2 4.35Å; R924-T928 WeakPolarHBondContact O-CB 3.43Å; R924-T928 PolarHBondContact O-N 3.22Å; R924-T928 PolarHBondContact O-OG1 2.71Å; T925-T928 PolarHBondContact O-N 3.19Å; M926-T928 VanDerWaalsContact C-N 3.3Å; M926-T928 PolarHBondContact O-N 3.2Å; T928-W989 PolarHBondContact OG1-NE1 3.03Å
929F95.2Very high90.7Very high21 Ų2129.4 Ų29.49%0.09214%0.143CC..Hα-helixtrans-70.4-48.2173.7178.7-123.6000111.7V781 G782 L785 V823 T827 T925 M926 I927 L931 V932 L933V781-F929 HydrophobicContact CB-CD2 4.38Å; V781-F929 HydrophobicContact CB-CE2 4.38Å; V781-F929 HydrophobicContact CG1-CD2 4.21Å; V781-F929 HydrophobicContact CG1-CE2 3.77Å; V781-F929 HydrophobicContact CG1-CZ 4.32Å; G782-F929 VanDerWaalsContact CA-CD2 3.47Å; L785-F929 HydrophobicContact CD1-CE2 4.27Å; L785-F929 HydrophobicContact CD1-CZ 4.01Å; V823-F929 HydrophobicContact CG1-CE1 3.73Å; V823-F929 HydrophobicContact CG1-CZ 3.71Å; T827-F929 HydrophobicContact CG2-CD1 3.75Å; T827-F929 HydrophobicContact CG2-CE1 4.37Å; T827-F929 WeakPolarHBondContact OG1-CE1 3.11Å; T925-F929 PolarHBondContact O-N 2.91Å; M926-F929 PolarHBondContact O-N 2.75Å; I927-F929 VanDerWaalsContact C-N 3.3Å; I927-F929 PolarHBondContact O-N 2.93Å; F929-L931 PolarHBondContact O-N 3.21Å; F929-V932 PolarHBondContact O-N 3.25Å; F929-V932 VanDerWaalsContact O-N 3.11Å; F929-L933 HydrophobicContact CE1-CD2 4.15Å; F929-L933 HydrophobicContact CZ-CD2 4.38Å; F929-L933 WeakPolarHBondContact O-CB 3.39Å; F929-L933 PolarHBondContact O-N 3.19Å
930L95.1Very high91.6Very high0 Ų024.3 Ų24.30%012%0.12CC..Hα-helixtrans-61.8-30.2-179.4-170.659.7000113.1T827 F903 M926 I927 L933 N934 L985T827-L930 HydrophobicContact CG2-CB 3.83Å; T827-L930 HydrophobicContact CG2-CD1 4.01Å; T827-L930 HydrophobicContact CG2-CG 4.35Å; F903-L930 HydrophobicContact CD1-CD2 3.88Å; F903-L930 HydrophobicContact CE1-CD2 3.71Å; M926-L930 WeakPolarHBondContact O-CB 3.08Å; M926-L930 PolarHBondContact O-N 3.28Å; I927-L930 PolarHBondContact O-N 3.49Å; L930-L933 HydrophobicContact CD1-CD2 4.36Å; L930-N934 WeakPolarHBondContact O-CB 3.24Å; L930-N934 PolarHBondContact O-N 3.31Å; L930-N934 PolarHBondContact O-ND2 3.04Å; L930-L985 HydrophobicContact CD2-CD1 4.22Å; L930-L985 HydrophobicContact CD2-CD2 3.91Å; L930-L985 HydrophobicContact CG-CD1 3.95Å; L930-L985 HydrophobicContact CG-CD2 4.47Å
931L93.8Very high92.1Very high27 Ų2719.4 Ų19.414%0.14110%0.099CC..Hα-helixtrans-61.5-50.9171-88.3167.1000112.3I927 F929 L933 N934 L935 T982 L985 W989I927-L931 HydrophobicContact CG2-CD1 4.37Å; I927-L931 WeakPolarHBondContact O-CB 3.12Å; I927-L931 WeakPolarHBondContact O-CG 3.42Å; I927-L931 PolarHBondContact O-N 3Å; F929-L931 PolarHBondContact O-N 3.21Å; L931-L933 VanDerWaalsContact C-N 3.33Å; L931-N934 PolarHBondContact O-N 3.37Å; L931-L935 PolarHBondContact O-N 3.47Å; L931-T982 HydrophobicContact CD2-CG2 3.77Å; L931-T982 VanDerWaalsContact CD2-O 3.3Å; L931-T982 WeakPolarHBondContact CD2-O 3.43Å; L931-L985 HydrophobicContact CD2-CB 3.58Å; L931-L985 HydrophobicContact CG-CB 3.96Å; L931-W989 HydrophobicContact CD1-CB 4.06Å; L931-W989 HydrophobicContact CD1-CG 3.97Å
932V94.8Very high92.3Very high16 Ų1619.2 Ų19.210%0.09710%0.1CC..Hα-helixtrans-72.1-31.5-179.8-173.70000111.1L779 G782 L783 F786 F929 L935 A936L779-V932 HydrophobicContact CD1-CG2 4.07Å; G782-V932 WeakPolarHBondContact O-CG1 3.45Å; L783-V932 HydrophobicContact CD2-CG1 4.37Å; F786-V932 HydrophobicContact CB-CG1 3.9Å; F786-V932 HydrophobicContact CG-CG1 4.39Å; F929-V932 PolarHBondContact O-N 3.25Å; F929-V932 VanDerWaalsContact O-N 3.11Å; V932-L935 WeakPolarHBondContact O-CB 3.41Å; V932-L935 PolarHBondContact O-N 3.23Å; V932-A936 PolarHBondContact O-N 3.35Å
933L96.3Very high92.4Very high0 Ų021.3 Ų21.30%011%0.106CC..Hα-helixtrans-68.3-38.2173.8-178.957000112.7L785 L820 V823 S824 F929 L930 L931 A936 M937L785-L933 HydrophobicContact CD1-CD1 3.92Å; L785-L933 HydrophobicContact CD2-CD1 3.61Å; L785-L933 HydrophobicContact CG-CD1 4.45Å; L820-L933 HydrophobicContact CD2-CD1 3.68Å; V823-L933 HydrophobicContact CB-CD2 4.46Å; V823-L933 HydrophobicContact CG1-CD2 3.9Å; S824-L933 VanDerWaalsContact CA-CD2 3.47Å; F929-L933 HydrophobicContact CE1-CD2 4.15Å; F929-L933 HydrophobicContact CZ-CD2 4.38Å; F929-L933 WeakPolarHBondContact O-CB 3.39Å; F929-L933 PolarHBondContact O-N 3.19Å; L930-L933 HydrophobicContact CD1-CD2 4.36Å; L931-L933 VanDerWaalsContact C-N 3.33Å; L933-A936 WeakPolarHBondContact O-CB 3.27Å; L933-A936 PolarHBondContact O-N 3.12Å; L933-M937 HydrophobicContact CG-CE 4.44Å; L933-M937 PolarHBondContact O-N 3.31Å
934N95.3Very high92.2Very high0 Ų021 Ų210%010%0.103CC..Hα-helixtrans-69.1-34.4170.9-89.2-86.4000112.4Q900 L930 L931 A936 M937 W938 T982 L985Q900-N934 PolarHBondContact NE2-OD1 2.69Å; Q900-N934 PolarHBondContact OE1-ND2 3.19Å; Q900-N934 PolarHBondContact OE1-OD1 2.9Å; L930-N934 WeakPolarHBondContact O-CB 3.24Å; L930-N934 PolarHBondContact O-N 3.31Å; L930-N934 PolarHBondContact O-ND2 3.04Å; L931-N934 PolarHBondContact O-N 3.37Å; N934-A936 VanDerWaalsContact C-N 3.31Å; N934-A936 PolarHBondContact O-N 2.98Å; N934-M937 HydrophobicContact CB-CE 4.27Å; N934-M937 PolarHBondContact O-N 2.9Å; N934-M937 WeakPolarHBondContact OD1-CE 3.42Å; N934-W938 VanDerWaalsContact O-CB 3.28Å; N934-W938 WeakPolarHBondContact O-CB 3.16Å; N934-W938 PolarHBondContact O-N 2.97Å; N934-T982 WeakPolarHBondContact CB-OG1 3.5Å; N934-L985 HydrophobicContact CB-CD1 4.42Å
935L93Very high91.9Very high62 Ų6219.6 Ų19.633%0.32510%0.098SC..Hα-helixtrans-62.6-38.2169.9-16771.7000111.6F786 L931 V932 W938 F939F786-L935 HydrophobicContact CE2-CD2 4.15Å; F786-L935 HydrophobicContact CE2-CG 4.04Å; F786-L935 HydrophobicContact CZ-CD2 4.35Å; L931-L935 PolarHBondContact O-N 3.47Å; V932-L935 WeakPolarHBondContact O-CB 3.41Å; V932-L935 PolarHBondContact O-N 3.23Å; L935-W938 HydrophobicContact CD1-CE3 3.76Å; L935-W938 HydrophobicContact CD1-CZ3 4.27Å; L935-W938 PolarHBondContact O-N 3.16Å; L935-F939 HydrophobicContact CD1-CD2 4.49Å; L935-F939 HydrophobicContact CD1-CE2 4.31Å; L935-F939 HydrophobicContact CG-CD2 4.23Å; L935-F939 HydrophobicContact CG-CE2 4.21Å; L935-F939 WeakPolarHBondContact O-CD2 3.44Å; L935-F939 PolarHBondContact O-N 2.91Å
936A95.4Very high91.4Very high0 Ų019.7 Ų19.70%09%0.094CC..Hα-helixtrans-61.4-52.3174.100000112.1L785 F786 T789 L820 V932 L933 N934 W938 F939 V940L785-A936 HydrophobicContact CD2-CB 3.98Å; F786-A936 HydrophobicContact CD2-CB 3.91Å; T789-A936 HydrophobicContact CG2-CB 4.26Å; L820-A936 HydrophobicContact CD2-CB 4.39Å; V932-A936 PolarHBondContact O-N 3.35Å; L933-A936 WeakPolarHBondContact O-CB 3.27Å; L933-A936 PolarHBondContact O-N 3.12Å; N934-A936 VanDerWaalsContact C-N 3.31Å; N934-A936 PolarHBondContact O-N 2.98Å; A936-W938 VanDerWaalsContact C-N 3.27Å; A936-W938 PolarHBondContact O-N 2.72Å; A936-F939 PolarHBondContact O-N 3.38Å; A936-V940 PolarHBondContact O-N 3.32Å; A936-V940 VanDerWaalsContact O-N 3.09Å
937M94.9Very high90.8Very high0 Ų021 Ų210%010%0.1CC..Hα-helixtrans-62.1-33.5176.3-65.1178.9-60.900112.1L820 L821 L933 N934 N941L820-M937 HydrophobicContact CB-CG 3.91Å; L820-M937 HydrophobicContact CB-SD 4.36Å; L820-M937 HydrophobicContact CD1-CG 4.19Å; L821-M937 HydrophobicContact CD2-SD 4.2Å; L933-M937 HydrophobicContact CG-CE 4.44Å; L933-M937 PolarHBondContact O-N 3.31Å; N934-M937 HydrophobicContact CB-CE 4.27Å; N934-M937 PolarHBondContact O-N 2.9Å; N934-M937 WeakPolarHBondContact OD1-CE 3.42Å; M937-N941 WeakPolarHBondContact O-CB 3.24Å; M937-N941 PolarHBondContact O-N 2.92Å
938W93.5Very high90Very high34 Ų3421 Ų2113%0.12910%0.1CC..Hα-helixtrans-65.1-43.2173.9177.467.3000112.3F537 N934 L935 A936 N941 T942 V975 R978F537-W938 HydrophobicContact CE1-CH2 4.24Å; F537-W938 AromaticContact CE1-CZ2 3.74Å; F537-W938 HydrophobicContact CE1-CZ2 3.74Å; F537-W938 HydrophobicContact CZ-CH2 4.25Å; F537-W938 AromaticContact CZ-CZ2 3.59Å; F537-W938 HydrophobicContact CZ-CZ2 3.59Å; N934-W938 VanDerWaalsContact O-CB 3.28Å; N934-W938 WeakPolarHBondContact O-CB 3.16Å; N934-W938 PolarHBondContact O-N 2.97Å; L935-W938 HydrophobicContact CD1-CE3 3.76Å; L935-W938 HydrophobicContact CD1-CZ3 4.27Å; L935-W938 PolarHBondContact O-N 3.16Å; A936-W938 VanDerWaalsContact C-N 3.27Å; A936-W938 PolarHBondContact O-N 2.72Å; W938-N941 PolarHBondContact O-N 3.44Å; W938-T942 PolarHBondContact NE1-OG1 3.45Å; W938-T942 WeakPolarHBondContact O-CB 3.43Å; W938-T942 PolarHBondContact O-N 3.48Å; W938-T942 PolarHBondContact O-OG1 3.45Å; W938-V975 VanDerWaalsContact CD1-O 3.3Å; W938-V975 VanDerWaalsContact NE1-CG1 3.29Å; W938-R978 HydrophobicContact CB-CB 3.8Å; W938-R978 HydrophobicContact CG-CB 4.3Å
939F91.2Very high89.3Confident55 Ų5520.7 Ų20.724%0.24110%0.098CC..Hα-helixtrans-60.8-48174.8-96.6-102.2000111.5F786 L790 M793 L935 A936 N941 T942 F943F786-F939 AromaticContact CE2-CD2 3.65Å; F786-F939 HydrophobicContact CE2-CD2 3.65Å; F786-F939 AromaticContact CE2-CE2 3.99Å; F786-F939 HydrophobicContact CE2-CE2 3.99Å; F786-F939 HydrophobicContact CE2-CG 4.09Å; F786-F939 HydrophobicContact CZ-CD1 4.5Å; F786-F939 AromaticContact CZ-CD2 3.77Å; F786-F939 HydrophobicContact CZ-CD2 3.77Å; F786-F939 HydrophobicContact CZ-CE1 4.42Å; F786-F939 AromaticContact CZ-CE2 3.67Å; F786-F939 HydrophobicContact CZ-CE2 3.67Å; F786-F939 HydrophobicContact CZ-CG 4.19Å; F786-F939 HydrophobicContact CZ-CZ 4.03Å; L790-F939 HydrophobicContact CD2-CD1 4.05Å; L790-F939 HydrophobicContact CD2-CE1 4.43Å; M793-F939 HydrophobicContact SD-CB 4.37Å; L935-F939 HydrophobicContact CD1-CD2 4.49Å; L935-F939 HydrophobicContact CD1-CE2 4.31Å; L935-F939 HydrophobicContact CG-CD2 4.23Å; L935-F939 HydrophobicContact CG-CE2 4.21Å; L935-F939 WeakPolarHBondContact O-CD2 3.44Å; L935-F939 PolarHBondContact O-N 2.91Å; A936-F939 PolarHBondContact O-N 3.38Å; F939-N941 PolarHBondContact O-N 2.84Å; F939-T942 PolarHBondContact O-N 3.23Å; F939-F943 HydrophobicContact CD1-CD2 4.29Å; F939-F943 AromaticContact CD1-CE2 3.88Å; F939-F943 HydrophobicContact CD1-CE2 3.88Å; F939-F943 HydrophobicContact CE1-CE2 4.23Å; F939-F943 VanDerWaalsContact O-CD2 3.25Å; F939-F943 WeakPolarHBondContact O-CD2 3.43Å; F939-F943 PolarHBondContact O-N 3.25Å
940V92.5Very high88.6Confident0 Ų021.4 Ų21.40%010%0.103CC..Hα-helixtrans-60.5-47177.8176.50000110.9M793 Y813 E817 L820 A936 T942 F943 E944M793-V940 HydrophobicContact CG-CG2 4.13Å; M793-V940 HydrophobicContact SD-CG2 3.95Å; Y813-V940 HydrophobicContact CD2-CG1 4.11Å; Y813-V940 HydrophobicContact CE2-CG1 3.56Å; E817-V940 HydrophobicContact CG-CG1 4.04Å; E817-V940 VanDerWaalsContact OE1-CG1 3.28Å; E817-V940 WeakPolarHBondContact OE1-CG1 3.44Å; L820-V940 HydrophobicContact CD1-CG2 4.18Å; A936-V940 PolarHBondContact O-N 3.32Å; A936-V940 VanDerWaalsContact O-N 3.09Å; V940-T942 VanDerWaalsContact C-N 3.3Å; V940-T942 PolarHBondContact O-N 2.98Å; V940-F943 PolarHBondContact O-N 2.97Å; V940-E944 HydrophobicContact CG1-CB 4.37Å; V940-E944 HydrophobicContact CG1-CG 4.35Å; V940-E944 PolarHBondContact O-N 3.43Å
941N90.2Very high88Confident3 Ų322.6 Ų22.62%0.01611%0.108CC..Hα-helixtrans-68.8-24.3-179.8-757.7000114.1E893 M937 W938 F939 V945 I974E893-N941 PolarHBondContact OE1-ND2 3.36Å; M937-N941 WeakPolarHBondContact O-CB 3.24Å; M937-N941 PolarHBondContact O-N 2.92Å; W938-N941 PolarHBondContact O-N 3.44Å; F939-N941 PolarHBondContact O-N 2.84Å; N941-V945 HydrophobicContact CB-CG2 4.19Å; N941-I974 HydrophobicContact CB-CG2 4.05Å; N941-I974 WeakPolarHBondContact ND2-CG2 3.41Å
942T87.5Confident87.6Confident22 Ų2224.3 Ų24.314%0.13512%0.122CC..Hα-helixtrans-75.3-32176.6-57.60000112.9P726 W938 F939 V940P726-T942 HydrophobicContact CB-CG2 4.15Å; W938-T942 PolarHBondContact NE1-OG1 3.45Å; W938-T942 WeakPolarHBondContact O-CB 3.43Å; W938-T942 PolarHBondContact O-N 3.48Å; W938-T942 PolarHBondContact O-OG1 3.45Å; F939-T942 PolarHBondContact O-N 3.23Å; V940-T942 VanDerWaalsContact C-N 3.3Å; V940-T942 PolarHBondContact O-N 2.98Å
943F85Confident87.1Confident64 Ų6424.8 Ų24.828%0.28112%0.124SC..Hα-helixtrans-118.9-30.9-166.9-63.7-62000115.1Y723 M793 F797 F939 V940 H947Y723-F943 HydrophobicContact CD1-CD1 4.07Å; Y723-F943 HydrophobicContact CD1-CE1 4.41Å; M793-F943 HydrophobicContact CE-CB 3.61Å; M793-F943 HydrophobicContact CE-CD2 4.06Å; M793-F943 HydrophobicContact CE-CG 4.28Å; F797-F943 HydrophobicContact CE2-CB 4.43Å; F797-F943 HydrophobicContact CZ-CB 4.22Å; F939-F943 HydrophobicContact CD1-CD2 4.29Å; F939-F943 AromaticContact CD1-CE2 3.88Å; F939-F943 HydrophobicContact CD1-CE2 3.88Å; F939-F943 HydrophobicContact CE1-CE2 4.23Å; F939-F943 VanDerWaalsContact O-CD2 3.25Å; F939-F943 WeakPolarHBondContact O-CD2 3.43Å; F939-F943 PolarHBondContact O-N 3.25Å; V940-F943 PolarHBondContact O-N 2.97Å; F943-H947 PolarHBondContact O-ND1 3.45Å
944E85Confident86.8Confident1 Ų124.8 Ų24.81%0.00512%0.124CC..THydrogen-bonded Turntrans-100.8-36.3-169.7-49.2-148.6124.100114.2M793 F796 F797 Y813 V940 K946 H947 A948M793-E944 WeakPolarHBondContact CA-OE1 3.42Å; M793-E944 WeakPolarHBondContact CB-OE1 3.27Å; M793-E944 HydrophobicContact CE-CG 3.37Å; M793-E944 HydrophobicContact CG-CG 4.25Å; M793-E944 WeakPolarHBondContact CG-OE1 3.41Å; M793-E944 HydrophobicContact SD-CG 4.45Å; F796-E944 VanDerWaalsContact CB-OE1 3.3Å; F796-E944 WeakPolarHBondContact CB-OE1 3.44Å; F796-E944 HydrophobicContact CD1-CB 4.36Å; F796-E944 HydrophobicContact CD1-CG 4.19Å; F796-E944 WeakPolarHBondContact CD1-OE1 3.45Å; F796-E944 HydrophobicContact CE1-CB 4.17Å; F796-E944 HydrophobicContact CE1-CG 4.42Å; F796-E944 WeakPolarHBondContact CG-OE1 3.43Å; F797-E944 HydrophobicContact CE2-CG 4.48Å; Y813-E944 HydrophobicContact CD2-CB 3.69Å; Y813-E944 HydrophobicContact CD2-CG 4.48Å; Y813-E944 WeakPolarHBondContact CD2-OE2 3.4Å; Y813-E944 HydrophobicContact CE2-CB 3.7Å; V940-E944 HydrophobicContact CG1-CB 4.37Å; V940-E944 HydrophobicContact CG1-CG 4.35Å; V940-E944 PolarHBondContact O-N 3.43Å; E944-K946 VanDerWaalsContact C-N 3.34Å; E944-K946 PolarHBondContact O-N 3.08Å; E944-H947 CarbonylContact O-C 3.6Å; E944-H947 WeakPolarHBondContact O-CA 3.32Å; E944-H947 WeakPolarHBondContact O-CB 3.21Å; E944-H947 PolarHBondContact O-N 3.16Å; E944-A948 PolarHBondContact O-N 3.01Å
945V82.4Confident86.3Confident2 Ų226.3 Ų26.31%0.01213%0.132CC..Hα-helixtrans-54.1-47.1-170.6-1790000111.9Y813 Y864 N941 H947 A948 D949 L971Y813-V945 WeakPolarHBondContact OH-CG2 3.39Å; Y864-V945 HydrophobicContact CE1-CG1 4.1Å; Y864-V945 WeakPolarHBondContact OH-CG1 3.47Å; N941-V945 HydrophobicContact CB-CG2 4.19Å; V945-H947 PolarHBondContact O-N 3.24Å; V945-A948 PolarHBondContact O-N 3.44Å; V945-D949 HydrophobicContact CG1-CB 4.3Å; V945-D949 WeakPolarHBondContact O-CB 3.2Å; V945-D949 PolarHBondContact O-N 3.44Å; V945-L971 HydrophobicContact CB-CD2 3.74Å; V945-L971 HydrophobicContact CG1-CD2 3.56Å
946K80.1Confident85.9Confident46 Ų4629.2 Ų29.220%0.215%0.148CC..Hα-helixtrans-59.6-29.8178-175.9167.2176166.40113.4E623 E627 E944 N950 H968 L971E623-K946 IonicContact OE1-NZ 2.7Å; E623-K946 PolarHBondContact OE1-NZ 3.38Å; E627-K946 WeakPolarHBondContact OE1-CE 3.38Å; E627-K946 IonicContact OE1-NZ 3.49Å; E944-K946 VanDerWaalsContact C-N 3.34Å; E944-K946 PolarHBondContact O-N 3.08Å; K946-N950 WeakPolarHBondContact O-CB 3.35Å; K946-N950 PolarHBondContact O-ND2 3.01Å; K946-H968 PolarHBondContact NZ-NE2 3.38Å; K946-L971 HydrophobicContact CB-CD1 4.07Å; K946-L971 HydrophobicContact CG-CD1 4.47Å
947H79.4Confident85.4Confident80 Ų8030.1 Ų30.137%0.3715%0.151SC..Hα-helixtrans-87.7-35.4178.7-64.1104.3000112.8F796 F797 F943 E944 V945F796-H947 HydrophobicContact CE1-CB 3.82Å; F796-H947 HydrophobicContact CZ-CB 3.76Å; F797-H947 AromaticContact CE1-ND1 3.86Å; F943-H947 PolarHBondContact O-ND1 3.45Å; E944-H947 CarbonylContact O-C 3.6Å; E944-H947 WeakPolarHBondContact O-CA 3.32Å; E944-H947 WeakPolarHBondContact O-CB 3.21Å; E944-H947 PolarHBondContact O-N 3.16Å; V945-H947 PolarHBondContact O-N 3.24Å
948A76.7Confident85Confident0 Ų030.2 Ų30.20%015%0.151CC..Hα-helixtrans-85.9-45.4-174.800000113.1F796 Y813 Y886 E944 V945 N950F796-A948 HydrophobicContact CE2-CB 3.97Å; F796-A948 HydrophobicContact CZ-CB 3.93Å; Y813-A948 HydrophobicContact CD1-CB 3.23Å; Y813-A948 HydrophobicContact CD2-CB 4.22Å; Y813-A948 HydrophobicContact CE1-CB 3.54Å; Y813-A948 HydrophobicContact CE2-CB 4.47Å; Y813-A948 HydrophobicContact CG-CB 3.63Å; Y886-A948 PolarHBondContact OH-O 3.15Å; Y886-A948 VanDerWaalsContact OH-O 3.08Å; E944-A948 PolarHBondContact O-N 3.01Å; V945-A948 PolarHBondContact O-N 3.44Å; A948-N950 VanDerWaalsContact C-N 3.31Å; A948-N950 PolarHBondContact O-N 2.98Å
949D78.9Confident84.5Confident1 Ų131.4 Ų31.41%0.00517%0.165CC..SBendtrans-85-4.9-173.6-67.75.5000112.2Y813 Q814 Y864 L868 Y886 K889 V945 H951 W963Y813-D949 WeakPolarHBondContact CE1-OD1 3.13Å; Q814-D949 PolarHBondContact NE2-OD1 3.36Å; Y864-D949 VanDerWaalsContact OH-CB 3.24Å; Y864-D949 WeakPolarHBondContact OH-CB 3.29Å; Y864-D949 PolarHBondContact OH-OD2 3.36Å; Y864-D949 VanDerWaalsContact OH-OD2 3.11Å; L868-D949 HydrophobicContact CD1-CB 4.28Å; Y886-D949 WeakPolarHBondContact CE1-OD1 3.28Å; K889-D949 IonicContact NZ-OD2 3.53Å; V945-D949 HydrophobicContact CG1-CB 4.3Å; V945-D949 WeakPolarHBondContact O-CB 3.2Å; V945-D949 PolarHBondContact O-N 3.44Å; D949-H951 PolarHBondContact O-N 3.12Å; D949-W963 HydrophobicContact CB-CZ2 4.41Å; D949-W963 WeakPolarHBondContact O-CZ2 3.43Å; D949-W963 PolarHBondContact O-NE1 2.88Å; D949-W963 VanDerWaalsContact O-NE1 3.16Å
950N79.2Confident84Confident37 Ų3730.7 Ų30.720%0.19817%0.167CC..  trans-71.747.7163-91.3-11.5000112E627 K946 A948 W963E627-N950 PolarHBondContact OE1-ND2 2.76Å; K946-N950 WeakPolarHBondContact O-CB 3.35Å; K946-N950 PolarHBondContact O-ND2 3.01Å; A948-N950 VanDerWaalsContact C-N 3.31Å; A948-N950 PolarHBondContact O-N 2.98Å; N950-W963 PolarHBondContact OD1-NE1 2.7Å
951H84Confident83.5Confident25 Ų2535.8 Ų35.812%0.11619%0.192CC..  trans-96.2151.1-177.4-171.265.6000111.9I810 Y886 D949 I953 H954 I955I810-H951 WeakPolarHBondContact CD1-ND1 3.42Å; Y886-H951 HydrophobicContact CE2-CB 4.25Å; Y886-H951 AromaticContact CE2-CD2 3.55Å; Y886-H951 VanDerWaalsContact OH-CB 3.25Å; Y886-H951 WeakPolarHBondContact OH-CB 3.47Å; D949-H951 PolarHBondContact O-N 3.12Å; H951-I953 PolarHBondContact O-N 3.06Å; H951-I953 VanDerWaalsContact O-N 3.09Å; H951-H954 PolarHBondContact O-N 2.84Å; H951-H954 VanDerWaalsContact O-N 3.12Å; H951-I955 PolarHBondContact O-N 3.12Å
952S83.9Confident83.3Confident63 Ų6336.2 Ų36.244%0.44120%0.196SC..Hα-helixtrans-60.6-25.5-171.755.90000114.3H954 N956S952-H954 VanDerWaalsContact C-N 3.35Å; S952-H954 PolarHBondContact O-N 3.2Å; S952-N956 WeakPolarHBondContact O-CB 3.46Å; S952-N956 PolarHBondContact O-N 2.89Å; S952-N956 PolarHBondContact O-ND2 3.45Å
953I85.9Confident83.3Confident26 Ų2635.1 Ų35.113%0.13319%0.189CC..Hα-helixtrans-56.5-46.9175-65.2174.9000111.3P871 A875 V880 A883 Y886 H951 Y957P871-I953 HydrophobicContact CB-CG2 4.06Å; A875-I953 HydrophobicContact CB-CD1 4.28Å; A875-I953 HydrophobicContact CB-CG2 3.95Å; V880-I953 HydrophobicContact CG1-CD1 4.22Å; A883-I953 HydrophobicContact CB-CD1 3.98Å; Y886-I953 HydrophobicContact CD2-CD1 4.4Å; H951-I953 PolarHBondContact O-N 3.06Å; H951-I953 VanDerWaalsContact O-N 3.09Å; I953-Y957 WeakPolarHBondContact O-CB 3.19Å; I953-Y957 PolarHBondContact O-N 3.2Å
954H88.3Confident83.2Confident0 Ų032.6 Ų32.60%018%0.178CC..Hα-helixtrans-80.8-40.4-176.1-50.8-75.7000111.4L868 Y886 H951 S952 N956 Y957 Y958 W963L868-H954 PolarHBondContact O-CE1 3.43Å; Y886-H954 AromaticContact CD1-NE2 3.79Å; Y886-H954 AromaticContact CD2-NE2 3.96Å; Y886-H954 AromaticContact CE1-NE2 3.95Å; Y886-H954 AromaticContact CG-NE2 3.82Å; H951-H954 PolarHBondContact O-N 2.84Å; H951-H954 VanDerWaalsContact O-N 3.12Å; S952-H954 VanDerWaalsContact C-N 3.35Å; S952-H954 PolarHBondContact O-N 3.2Å; H954-N956 PolarHBondContact O-N 3.39Å; H954-Y957 PolarHBondContact O-N 3.35Å; H954-Y957 VanDerWaalsContact O-N 3.12Å; H954-Y958 WeakPolarHBondContact O-CD2 3.2Å; H954-Y958 PolarHBondContact O-N 2.83Å; H954-W963 HydrophobicContact CB-CD2 3.62Å; H954-W963 HydrophobicContact CB-CE3 3.84Å; H954-W963 HydrophobicContact CB-CG 4.25Å; H954-W963 HydrophobicContact CB-CH2 3.92Å; H954-W963 HydrophobicContact CB-CZ2 3.7Å; H954-W963 HydrophobicContact CB-CZ3 3.98Å; H954-W963 AromaticContact CG-CH2 3.89Å; H954-W963 AromaticContact CG-CZ2 3.8Å
955I85.5Confident83.2Confident31 Ų3135.7 Ų35.716%0.15919%0.194CC..Hα-helixtrans-61.5-42.1176.6-64.8169.3000111.2H951 Y957 S959 W963H951-I955 PolarHBondContact O-N 3.12Å; I955-Y957 VanDerWaalsContact C-N 3.27Å; I955-Y957 PolarHBondContact O-N 3.35Å; I955-S959 CarbonylContact O-C 3.39Å; I955-S959 WeakPolarHBondContact O-CA 3.4Å; I955-S959 PolarHBondContact O-N 3.34Å; I955-W963 HydrophobicContact CG1-CG 4.39Å
956N84Confident83.4Confident123 Ų12336.1 Ų36.166%0.65820%0.196SC*.Hα-helixtrans-71-21.5177.1-68.2-13.1000113.1S952 H954S952-N956 WeakPolarHBondContact O-CB 3.46Å; S952-N956 PolarHBondContact O-N 2.89Å; S952-N956 PolarHBondContact O-ND2 3.45Å; H954-N956 PolarHBondContact O-N 3.39Å
957Y85.1Confident83.8Confident19 Ų1934.1 Ų34.18%0.07519%0.188CC..Hα-helixtrans-84.4-50.5-179.6-167.1-89.4000112.5R104 P871 E874 I953 H954 I955R104-Y957 HydrophobicContact CB-CE1 4.16Å; R104-Y957 HydrophobicContact CB-CE2 4.19Å; R104-Y957 HydrophobicContact CG-CD2 4.45Å; R104-Y957 HydrophobicContact CG-CE2 3.81Å; P871-Y957 HydrophobicContact CB-CD1 4.36Å; P871-Y957 HydrophobicContact CB-CD2 3.96Å; P871-Y957 HydrophobicContact CB-CG 3.83Å; P871-Y957 HydrophobicContact CG-CD1 3.82Å; P871-Y957 HydrophobicContact CG-CD2 4.28Å; P871-Y957 HydrophobicContact CG-CE1 4.31Å; P871-Y957 HydrophobicContact CG-CG 3.79Å; E874-Y957 VanDerWaalsContact CD-CE2 3.49Å; E874-Y957 HydrophobicContact CG-CE2 4.49Å; E874-Y957 WeakPolarHBondContact OE1-CE2 3.44Å; E874-Y957 PolarHBondContact OE1-OH 2.82Å; E874-Y957 WeakPolarHBondContact OE2-CE2 3.49Å; I953-Y957 WeakPolarHBondContact O-CB 3.19Å; I953-Y957 PolarHBondContact O-N 3.2Å; H954-Y957 PolarHBondContact O-N 3.35Å; H954-Y957 VanDerWaalsContact O-N 3.12Å; I955-Y957 VanDerWaalsContact C-N 3.27Å; I955-Y957 PolarHBondContact O-N 3.35Å
958Y86.1Confident84Confident2 Ų230.4 Ų30.41%0.00817%0.17CC..Hα-helixtrans-93.9-17.6-174.1-65.3-68.6000114C100 F103 F867 P871 H954 A962 W963 I966C100-Y958 PolarHBondContact SG-OH 3.28Å; F103-Y958 HydrophobicContact CB-CD1 3.67Å; F103-Y958 HydrophobicContact CB-CE1 4.26Å; F103-Y958 HydrophobicContact CD2-CD1 4.01Å; F103-Y958 HydrophobicContact CD2-CE1 4.45Å; F103-Y958 AromaticContact CG-CD1 3.98Å; F103-Y958 HydrophobicContact CG-CD1 3.98Å; F867-Y958 AromaticContact CD1-CE1 3.71Å; F867-Y958 HydrophobicContact CD1-CE1 3.71Å; F867-Y958 HydrophobicContact CD1-CE2 4.3Å; F867-Y958 AromaticContact CD1-CZ 3.58Å; F867-Y958 WeakPolarHBondContact CD1-OH 3.3Å; F867-Y958 AromaticContact CE1-CE1 3.97Å; F867-Y958 HydrophobicContact CE1-CE1 3.97Å; F867-Y958 WeakPolarHBondContact O-CE2 3.41Å; F867-Y958 PolarHBondContact O-OH 3.08Å; F867-Y958 VanDerWaalsContact O-OH 3.06Å; P871-Y958 HydrophobicContact CG-CD2 4.33Å; P871-Y958 HydrophobicContact CG-CE2 3.39Å; H954-Y958 WeakPolarHBondContact O-CD2 3.2Å; H954-Y958 PolarHBondContact O-N 2.83Å; Y958-A962 VanDerWaalsContact O-CB 3.26Å; Y958-A962 WeakPolarHBondContact O-CB 3.36Å; Y958-W963 AromaticContact CD2-CE3 3.6Å; Y958-W963 HydrophobicContact CD2-CE3 3.6Å; Y958-W963 HydrophobicContact CD2-CZ3 4.11Å; Y958-W963 AromaticContact CE2-CE3 3.95Å; Y958-W963 HydrophobicContact CE2-CE3 3.95Å; Y958-W963 AromaticContact CE2-CZ3 3.97Å; Y958-W963 HydrophobicContact CE2-CZ3 3.97Å; Y958-I966 HydrophobicContact CD1-CD1 4.1Å; Y958-I966 HydrophobicContact CE1-CD1 4.45Å; Y958-I966 HydrophobicContact CG-CD1 4.19Å
959S84.6Confident84.4Confident59 Ų5933.9 Ų33.941%0.41319%0.189SC..  trans75.6151.4-153.982.20000114.2I955 M961 A962 W963I955-S959 CarbonylContact O-C 3.39Å; I955-S959 WeakPolarHBondContact O-CA 3.4Å; I955-S959 PolarHBondContact O-N 3.34Å; S959-M961 PolarHBondContact O-N 3.48Å; S959-A962 PolarHBondContact O-N 3.06Å; S959-W963 PolarHBondContact O-N 3.08Å
960S80.5Confident84.9Confident41 Ų4133.9 Ų33.929%0.28719%0.188SC..Hα-helixtrans-42.7-56.8175.1167.10000113.3H630 A962 W963 K964H630-S960 PolarHBondContact CD2-OG 2.8Å; S960-A962 PolarHBondContact O-N 3.14Å; S960-W963 PolarHBondContact O-N 3.41Å; S960-K964 WeakPolarHBondContact O-CG 3.18Å; S960-K964 PolarHBondContact O-N 2.68Å
961M81.3Confident85.3Confident107 Ų10733 Ų3353%0.52718%0.184SC..Hα-helixtrans-67.8-41-173.8-168.767.6-164.900112.7I624 S959 K964 I965I624-M961 HydrophobicContact CG2-CE 4.31Å; S959-M961 PolarHBondContact O-N 3.48Å; M961-K964 PolarHBondContact O-N 3.41Å; M961-I965 HydrophobicContact CE-CD1 4.01Å; M961-I965 HydrophobicContact CE-CG1 4.18Å; M961-I965 HydrophobicContact CG-CD1 4.1Å; M961-I965 WeakPolarHBondContact O-CD1 3.35Å; M961-I965 VanDerWaalsContact O-CG1 3.29Å; M961-I965 WeakPolarHBondContact O-CG1 3.13Å; M961-I965 PolarHBondContact O-N 3.4Å
962A85.7Confident85.3Confident11 Ų1132.1 Ų32.19%0.09118%0.18CC..Hα-helixtrans-69.3-39.8179.700000111.5F103 Y958 S959 S960 I965 I966F103-A962 HydrophobicContact CD1-CB 4.09Å; F103-A962 HydrophobicContact CE1-CB 3.66Å; F103-A962 HydrophobicContact CZ-CB 4.02Å; Y958-A962 VanDerWaalsContact O-CB 3.26Å; Y958-A962 WeakPolarHBondContact O-CB 3.36Å; S959-A962 PolarHBondContact O-N 3.06Å; S960-A962 PolarHBondContact O-N 3.14Å; A962-I965 PolarHBondContact O-N 3.32Å; A962-I966 WeakPolarHBondContact O-CD1 3.31Å; A962-I966 VanDerWaalsContact O-CG1 3.25Å; A962-I966 WeakPolarHBondContact O-CG1 3.34Å; A962-I966 PolarHBondContact O-N 3.4Å
963W87.8Confident85.5Confident0 Ų030.7 Ų30.70%017%0.167CC..Hα-helixtrans-61.6-47.7174-173.7-117.4000111.4Y864 F867 L868 D949 N950 H954 I955 Y958 S959 S960 I965 I966 T967Y864-W963 HydrophobicContact CE2-CH2 4.33Å; F867-W963 HydrophobicContact CB-CZ3 4.39Å; L868-W963 HydrophobicContact CD1-CH2 3.95Å; L868-W963 HydrophobicContact CD1-CZ2 4.29Å; D949-W963 HydrophobicContact CB-CZ2 4.41Å; D949-W963 WeakPolarHBondContact O-CZ2 3.43Å; D949-W963 PolarHBondContact O-NE1 2.88Å; D949-W963 VanDerWaalsContact O-NE1 3.16Å; N950-W963 PolarHBondContact OD1-NE1 2.7Å; H954-W963 HydrophobicContact CB-CD2 3.62Å; H954-W963 HydrophobicContact CB-CE3 3.84Å; H954-W963 HydrophobicContact CB-CG 4.25Å; H954-W963 HydrophobicContact CB-CH2 3.92Å; H954-W963 HydrophobicContact CB-CZ2 3.7Å; H954-W963 HydrophobicContact CB-CZ3 3.98Å; H954-W963 AromaticContact CG-CH2 3.89Å; H954-W963 AromaticContact CG-CZ2 3.8Å; I955-W963 HydrophobicContact CG1-CG 4.39Å; Y958-W963 AromaticContact CD2-CE3 3.6Å; Y958-W963 HydrophobicContact CD2-CE3 3.6Å; Y958-W963 HydrophobicContact CD2-CZ3 4.11Å; Y958-W963 AromaticContact CE2-CE3 3.95Å; Y958-W963 HydrophobicContact CE2-CE3 3.95Å; Y958-W963 AromaticContact CE2-CZ3 3.97Å; Y958-W963 HydrophobicContact CE2-CZ3 3.97Å; S959-W963 PolarHBondContact O-N 3.08Å; S960-W963 PolarHBondContact O-N 3.41Å; W963-I965 VanDerWaalsContact C-N 3.31Å; W963-I965 PolarHBondContact O-N 3.45Å; W963-I966 HydrophobicContact CE3-CB 4.47Å; W963-I966 HydrophobicContact CE3-CG2 4.33Å; W963-I966 HydrophobicContact CZ3-CG2 4.18Å; W963-I966 PolarHBondContact O-N 2.83Å; W963-I966 VanDerWaalsContact O-N 3.13Å; W963-T967 HydrophobicContact CD2-CG2 3.89Å; W963-T967 VanDerWaalsContact CE2-CG2 3.44Å; W963-T967 HydrophobicContact CE3-CG2 4.46Å; W963-T967 HydrophobicContact CG-CG2 4.29Å; W963-T967 HydrophobicContact CH2-CG2 4.3Å; W963-T967 HydrophobicContact CZ2-CG2 3.68Å; W963-T967 WeakPolarHBondContact O-CG2 3.38Å; W963-T967 PolarHBondContact O-N 3.11Å; W963-T967 PolarHBondContact O-OG1 3.36Å
964K83.1Confident85.8Confident10 Ų1029.6 Ų29.64%0.04316%0.162CC..Hα-helixtrans-53.8-44.2174-74.8180176.2-113.50112.5E627 P628 S960 M961 T967 H968E627-K964 PolarHBondContact O-NZ 3.15Å; E627-K964 WeakPolarHBondContact OE2-CD 3.48Å; E627-K964 VanDerWaalsContact OE2-CE 3.23Å; E627-K964 WeakPolarHBondContact OE2-CE 3.45Å; E627-K964 WeakPolarHBondContact OE2-CG 3.11Å; E627-K964 IonicContact OE2-NZ 2.67Å; E627-K964 PolarHBondContact OE2-NZ 2.78Å; P628-K964 PolarHBondContact O-NZ 3.27Å; S960-K964 WeakPolarHBondContact O-CG 3.18Å; S960-K964 PolarHBondContact O-N 2.68Å; M961-K964 PolarHBondContact O-N 3.41Å; K964-T967 PolarHBondContact O-OG1 3.18Å; K964-T967 VanDerWaalsContact O-OG1 3.07Å; K964-H968 WeakPolarHBondContact O-CB 3.28Å; K964-H968 PolarHBondContact O-N 2.91Å; K964-H968 VanDerWaalsContact O-N 3.08Å; K964-H968 PolarHBondContact O-ND1 2.91Å
965I84.4Confident85.9Confident67 Ų6730 Ų3034%0.34416%0.164SC..Hα-helixtrans-64.7-45177.6-68.4164.3000111.2M961 A962 W963 I969M961-I965 HydrophobicContact CE-CD1 4.01Å; M961-I965 HydrophobicContact CE-CG1 4.18Å; M961-I965 HydrophobicContact CG-CD1 4.1Å; M961-I965 WeakPolarHBondContact O-CD1 3.35Å; M961-I965 VanDerWaalsContact O-CG1 3.29Å; M961-I965 WeakPolarHBondContact O-CG1 3.13Å; M961-I965 PolarHBondContact O-N 3.4Å; A962-I965 PolarHBondContact O-N 3.32Å; W963-I965 VanDerWaalsContact C-N 3.31Å; W963-I965 PolarHBondContact O-N 3.45Å; I965-I969 HydrophobicContact CG2-CD1 3.71Å; I965-I969 WeakPolarHBondContact O-CB 3.08Å; I965-I969 VanDerWaalsContact O-CG1 3.3Å; I965-I969 WeakPolarHBondContact O-CG1 3.42Å; I965-I969 PolarHBondContact O-N 3.4Å; I965-I969 VanDerWaalsContact O-N 3.15Å
966I87.7Confident86Confident11 Ų1128.9 Ų28.96%0.05616%0.158CC..Hα-helixtrans-61.9-47.3179.1-69.8159.5000110.9F863 F867 Y958 A962 W963 A970F863-I966 HydrophobicContact CE1-CG2 4.27Å; F867-I966 HydrophobicContact CB-CG2 3.88Å; F867-I966 HydrophobicContact CD1-CD1 3.65Å; F867-I966 HydrophobicContact CD1-CG1 4.34Å; F867-I966 HydrophobicContact CD1-CG2 4.21Å; F867-I966 HydrophobicContact CD2-CG2 3.99Å; F867-I966 HydrophobicContact CE1-CD1 3.66Å; F867-I966 HydrophobicContact CE1-CG1 4.28Å; F867-I966 HydrophobicContact CG-CD1 4.33Å; F867-I966 HydrophobicContact CG-CG2 3.78Å; F867-I966 HydrophobicContact CZ-CD1 4.34Å; Y958-I966 HydrophobicContact CD1-CD1 4.1Å; Y958-I966 HydrophobicContact CE1-CD1 4.45Å; Y958-I966 HydrophobicContact CG-CD1 4.19Å; A962-I966 WeakPolarHBondContact O-CD1 3.31Å; A962-I966 VanDerWaalsContact O-CG1 3.25Å; A962-I966 WeakPolarHBondContact O-CG1 3.34Å; A962-I966 PolarHBondContact O-N 3.4Å; W963-I966 HydrophobicContact CE3-CB 4.47Å; W963-I966 HydrophobicContact CE3-CG2 4.33Å; W963-I966 HydrophobicContact CZ3-CG2 4.18Å; W963-I966 PolarHBondContact O-N 2.83Å; W963-I966 VanDerWaalsContact O-N 3.13Å; I966-A970 VanDerWaalsContact O-CB 3.27Å; I966-A970 WeakPolarHBondContact O-CB 3.49Å; I966-A970 PolarHBondContact O-N 2.95Å; I966-A970 VanDerWaalsContact O-N 3.17Å
967T87.6Confident86.4Confident3 Ų323 Ų232%0.01813%0.127CC..Hα-helixtrans-64.5-49.3-179.457.60000111.7Y864 W963 K964 I969 A970 L971Y864-T967 HydrophobicContact CE2-CG2 4.15Å; W963-T967 HydrophobicContact CD2-CG2 3.89Å; W963-T967 VanDerWaalsContact CE2-CG2 3.44Å; W963-T967 HydrophobicContact CE3-CG2 4.46Å; W963-T967 HydrophobicContact CG-CG2 4.29Å; W963-T967 HydrophobicContact CH2-CG2 4.3Å; W963-T967 HydrophobicContact CZ2-CG2 3.68Å; W963-T967 WeakPolarHBondContact O-CG2 3.38Å; W963-T967 PolarHBondContact O-N 3.11Å; W963-T967 PolarHBondContact O-OG1 3.36Å; K964-T967 PolarHBondContact O-OG1 3.18Å; K964-T967 VanDerWaalsContact O-OG1 3.07Å; T967-I969 VanDerWaalsContact C-N 3.33Å; T967-I969 PolarHBondContact O-N 3.47Å; T967-A970 PolarHBondContact O-N 2.94Å; T967-A970 VanDerWaalsContact O-N 3.15Å; T967-L971 WeakPolarHBondContact O-CB 3.39Å; T967-L971 WeakPolarHBondContact O-CG 3.46Å; T967-L971 PolarHBondContact O-N 3.01Å
968H84.5Confident86.9Confident2 Ų222.1 Ų22.11%0.00912%0.123CC..Hα-helixtrans-71.7-22.5-175.4-70.177.6000114.1I620 E623 I624 E627 K946 K964 P972I620-H968 HydrophobicContact CG2-CB 4.29Å; E623-H968 IonicContact OE1-CD2 3.76Å; E623-H968 IonicContact OE1-NE2 3.15Å; I624-H968 HydrophobicContact CD1-CB 3.71Å; I624-H968 HydrophobicContact CG1-CB 3.39Å; I624-H968 VanDerWaalsContact CG1-CG 3.44Å; E627-H968 IonicContact OE1-CE1 3.94Å; E627-H968 IonicContact OE2-CE1 2.72Å; K946-H968 PolarHBondContact NZ-NE2 3.38Å; K964-H968 WeakPolarHBondContact O-CB 3.28Å; K964-H968 PolarHBondContact O-N 2.91Å; K964-H968 VanDerWaalsContact O-N 3.08Å; K964-H968 PolarHBondContact O-ND1 2.91Å; H968-P972 WeakPolarHBondContact O-CD 3.38Å; H968-P972 WeakPolarHBondContact O-CG 3.25Å
969I84.5Confident87.1Confident74 Ų7423.2 Ų23.238%0.37913%0.128SC..Hα-helixtrans-76.1-38.1169.5-70172.2000111I965 T967I965-I969 HydrophobicContact CG2-CD1 3.71Å; I965-I969 WeakPolarHBondContact O-CB 3.08Å; I965-I969 VanDerWaalsContact O-CG1 3.3Å; I965-I969 WeakPolarHBondContact O-CG1 3.42Å; I965-I969 PolarHBondContact O-N 3.4Å; I965-I969 VanDerWaalsContact O-N 3.15Å; T967-I969 VanDerWaalsContact C-N 3.33Å; T967-I969 PolarHBondContact O-N 3.47Å
970A89.2Confident87.4Confident0 Ų020.4 Ų20.40%011%0.109CC..Hα-helixtrans-83.8-43.1-172.800000114.1F863 Y864 I966 T967 P972 L973 I974F863-A970 HydrophobicContact CD1-CB 3.95Å; F863-A970 HydrophobicContact CE1-CB 4.22Å; Y864-A970 HydrophobicContact CD2-CB 3.55Å; Y864-A970 HydrophobicContact CE2-CB 4.45Å; Y864-A970 HydrophobicContact CG-CB 4.16Å; I966-A970 VanDerWaalsContact O-CB 3.27Å; I966-A970 WeakPolarHBondContact O-CB 3.49Å; I966-A970 PolarHBondContact O-N 2.95Å; I966-A970 VanDerWaalsContact O-N 3.17Å; T967-A970 PolarHBondContact O-N 2.94Å; T967-A970 VanDerWaalsContact O-N 3.15Å; A970-P972 VanDerWaalsContact C-CD 3.5Å; A970-L973 PolarHBondContact O-N 3.05Å; A970-I974 HydrophobicContact CB-CD1 4.33Å; A970-I974 WeakPolarHBondContact O-CG1 3.38Å; A970-I974 PolarHBondContact O-N 2.59Å
971L86.9Confident88.1Confident19 Ų1918.5 Ų18.510%0.09910%0.095CC..Hα-helixtrans-47.4-47.1-179.8-77.2167.1000113.5V945 K946 T967 L973 I974 V975V945-L971 HydrophobicContact CB-CD2 3.74Å; V945-L971 HydrophobicContact CG1-CD2 3.56Å; K946-L971 HydrophobicContact CB-CD1 4.07Å; K946-L971 HydrophobicContact CG-CD1 4.47Å; T967-L971 WeakPolarHBondContact O-CB 3.39Å; T967-L971 WeakPolarHBondContact O-CG 3.46Å; T967-L971 PolarHBondContact O-N 3.01Å; L971-L973 VanDerWaalsContact C-N 3.3Å; L971-L973 PolarHBondContact O-N 3.2Å; L971-I974 PolarHBondContact O-N 2.66Å; L971-V975 WeakPolarHBondContact O-CG2 3.39Å; L971-V975 PolarHBondContact O-N 2.97Å
972P85Confident88.6Confident6 Ų614.5 Ų14.54%0.0398%0.077CC..Hα-helixtrans-48.3-46.8170.8-31.735.7000114.8I620 I729 H968 A970 F976I620-P972 HydrophobicContact CD1-CG 3.81Å; I620-P972 HydrophobicContact CG1-CG 4.05Å; I729-P972 HydrophobicContact CD1-CG 4.34Å; I729-P972 HydrophobicContact CG2-CB 3.47Å; I729-P972 VanDerWaalsContact CG2-CB 3.47Å; I729-P972 HydrophobicContact CG2-CG 3.74Å; H968-P972 WeakPolarHBondContact O-CD 3.38Å; H968-P972 WeakPolarHBondContact O-CG 3.25Å; A970-P972 VanDerWaalsContact C-CD 3.5Å; P972-F976 WeakPolarHBondContact O-CB 3.46Å; P972-F976 PolarHBondContact O-N 3.35Å
973L87.5Confident88.9Confident34 Ų3414.1 Ų14.118%0.1787%0.073CC..Hα-helixtrans-78-28.7-174.5-58.5176.8000111.7A970 L971 F977A970-L973 PolarHBondContact O-N 3.05Å; L971-L973 VanDerWaalsContact C-N 3.3Å; L971-L973 PolarHBondContact O-N 3.2Å; L973-F977 WeakPolarHBondContact O-CB 3.42Å; L973-F977 PolarHBondContact O-N 3.03Å
974I92Very high89Confident2 Ų214.4 Ų14.41%0.018%0.075CC..Hα-helixtrans-68.7-48.4173.8-62.9167.3000110.8M861 Y864 N941 A970 L971 F977 R978M861-I974 HydrophobicContact CE-CB 4.49Å; M861-I974 HydrophobicContact CE-CD1 4.09Å; M861-I974 HydrophobicContact CE-CG1 3.84Å; M861-I974 HydrophobicContact CE-CG2 3.94Å; M861-I974 HydrophobicContact SD-CB 4.39Å; M861-I974 HydrophobicContact SD-CG1 4.16Å; M861-I974 HydrophobicContact SD-CG2 3.86Å; Y864-I974 HydrophobicContact CD1-CD1 3.58Å; Y864-I974 HydrophobicContact CD2-CD1 3.96Å; Y864-I974 HydrophobicContact CE1-CD1 4.18Å; Y864-I974 HydrophobicContact CG-CD1 3.43Å; Y864-I974 VanDerWaalsContact CG-CD1 3.43Å; N941-I974 HydrophobicContact CB-CG2 4.05Å; N941-I974 WeakPolarHBondContact ND2-CG2 3.41Å; A970-I974 HydrophobicContact CB-CD1 4.33Å; A970-I974 WeakPolarHBondContact O-CG1 3.38Å; A970-I974 PolarHBondContact O-N 2.59Å; L971-I974 PolarHBondContact O-N 2.66Å; I974-F977 PolarHBondContact O-N 2.85Å; I974-R978 WeakPolarHBondContact O-CG 3.22Å; I974-R978 PolarHBondContact O-N 2.99Å; I974-R978 VanDerWaalsContact O-N 3.08Å
975V90.1Very high89.4Confident8 Ų814 Ų145%0.0487%0.073CC..Hα-helixtrans-63.7-47.2178.4177.20000109.4E730 W938 L971 F977 R978 F979E730-V975 HydrophobicContact CG-CG1 3.96Å; E730-V975 WeakPolarHBondContact OE1-CB 3.19Å; E730-V975 VanDerWaalsContact OE1-CG1 3.31Å; E730-V975 WeakPolarHBondContact OE1-CG1 3.44Å; W938-V975 VanDerWaalsContact CD1-O 3.3Å; W938-V975 VanDerWaalsContact NE1-CG1 3.29Å; L971-V975 WeakPolarHBondContact O-CG2 3.39Å; L971-V975 PolarHBondContact O-N 2.97Å; V975-F977 VanDerWaalsContact C-N 3.35Å; V975-F977 PolarHBondContact O-N 2.94Å; V975-R978 PolarHBondContact O-N 2.73Å; V975-F979 WeakPolarHBondContact O-CB 3.32Å; V975-F979 PolarHBondContact O-N 3.2Å
976F88.6Confident89.6Confident8 Ų810.9 Ų10.94%0.0356%0.058CC..Hα-helixtrans-58.8-41.8173.7-178.3-99.9000112.4E730 L733 I734 L853 P972 R978 F979 H980E730-F976 WeakPolarHBondContact OE1-CA 3.48Å; E730-F976 PolarHBondContact OE1-N 3.39Å; E730-F976 WeakPolarHBondContact OE2-CA 3.37Å; L733-F976 HydrophobicContact CB-CD2 4.23Å; L733-F976 HydrophobicContact CB-CE2 4.45Å; L733-F976 HydrophobicContact CD1-CB 4.06Å; L733-F976 HydrophobicContact CD1-CD2 4.27Å; L733-F976 HydrophobicContact CD1-CG 4.19Å; I734-F976 HydrophobicContact CG1-CD2 4.46Å; I734-F976 HydrophobicContact CG1-CE2 4.08Å; L853-F976 HydrophobicContact CB-CE1 4.35Å; L853-F976 HydrophobicContact CB-CZ 4.28Å; L853-F976 HydrophobicContact CD2-CZ 4.21Å; P972-F976 WeakPolarHBondContact O-CB 3.46Å; P972-F976 PolarHBondContact O-N 3.35Å; F976-R978 PolarHBondContact O-N 3.36Å; F976-F979 PolarHBondContact O-N 3.22Å; F976-H980 HydrophobicContact CD1-CB 4.49Å; F976-H980 HydrophobicContact CE1-CB 4.13Å; F976-H980 HydrophobicContact CE2-CB 4.39Å; F976-H980 HydrophobicContact CZ-CB 4.07Å; F976-H980 WeakPolarHBondContact O-CB 3.36Å; F976-H980 PolarHBondContact O-N 3.15Å
977F93.3Very high89.5Confident0 Ų012.3 Ų12.30%07%0.066CC..Hα-helixtrans-60.1-45.7177.5173.6-110.6000112.6L854 L858 M861 V901 L973 I974 V975 S981L854-F977 HydrophobicContact CD1-CD2 3.93Å; L854-F977 HydrophobicContact CD1-CE2 3.71Å; L854-F977 HydrophobicContact CG-CE2 4.48Å; L858-F977 HydrophobicContact CB-CD2 4.41Å; L858-F977 HydrophobicContact CB-CE2 4.1Å; L858-F977 HydrophobicContact CD1-CE2 4.34Å; L858-F977 HydrophobicContact CD1-CZ 4.29Å; M861-F977 HydrophobicContact CB-CD1 4.27Å; M861-F977 HydrophobicContact CG-CD1 4.16Å; M861-F977 HydrophobicContact CG-CE1 4.3Å; M861-F977 HydrophobicContact SD-CD1 4.03Å; M861-F977 HydrophobicContact SD-CE1 4.49Å; V901-F977 HydrophobicContact CG2-CE2 3.57Å; V901-F977 HydrophobicContact CG2-CZ 3.91Å; L973-F977 WeakPolarHBondContact O-CB 3.42Å; L973-F977 PolarHBondContact O-N 3.03Å; I974-F977 PolarHBondContact O-N 2.85Å; V975-F977 VanDerWaalsContact C-N 3.35Å; V975-F977 PolarHBondContact O-N 2.94Å; F977-S981 WeakPolarHBondContact O-CB 3.5Å; F977-S981 PolarHBondContact O-N 3.19Å; F977-S981 PolarHBondContact O-OG 2.89Å
978R94.4Very high89.5Confident0 Ų012.5 Ų12.50%07%0.066CC..Hα-helixtrans-69.5-40.3178.4-62.3-65.4-174.9-168.3-0.6111.5E893 W938 I974 V975 F976 T982E893-R978 IonicContact OE1-CZ 3.25Å; E893-R978 IonicContact OE1-NE 3.72Å; E893-R978 IonicContact OE1-NH2 2.64Å; E893-R978 PolarHBondContact OE1-NH2 3.48Å; W938-R978 HydrophobicContact CB-CB 3.8Å; W938-R978 HydrophobicContact CG-CB 4.3Å; I974-R978 WeakPolarHBondContact O-CG 3.22Å; I974-R978 PolarHBondContact O-N 2.99Å; I974-R978 VanDerWaalsContact O-N 3.08Å; V975-R978 PolarHBondContact O-N 2.73Å; F976-R978 PolarHBondContact O-N 3.36Å; R978-T982 PolarHBondContact O-N 3.09Å; R978-T982 PolarHBondContact O-OG1 3.46Å
979F91.4Very high89.6Confident26 Ų2615.4 Ų15.411%0.1148%0.077CC..Hα-helixtrans-63-53.7174.7176.3-103.7000111.6L530 F537 I734 V975 F976 S981 T982 V983L530-F979 HydrophobicContact CD1-CE1 4.05Å; F537-F979 HydrophobicContact CE2-CD1 4.4Å; F537-F979 HydrophobicContact CE2-CD2 4.15Å; F537-F979 HydrophobicContact CE2-CE1 4.28Å; F537-F979 HydrophobicContact CE2-CE2 4.02Å; F537-F979 HydrophobicContact CE2-CG 4.36Å; F537-F979 HydrophobicContact CE2-CZ 4.11Å; F537-F979 HydrophobicContact CZ-CD2 4.2Å; F537-F979 HydrophobicContact CZ-CE2 4.39Å; I734-F979 HydrophobicContact CD1-CD1 4.02Å; I734-F979 HydrophobicContact CD1-CE1 3.58Å; I734-F979 HydrophobicContact CD1-CZ 4.31Å; I734-F979 HydrophobicContact CG1-CE1 4.38Å; V975-F979 WeakPolarHBondContact O-CB 3.32Å; V975-F979 PolarHBondContact O-N 3.2Å; F976-F979 PolarHBondContact O-N 3.22Å; F979-S981 PolarHBondContact O-N 3.46Å; F979-T982 WeakPolarHBondContact O-CA 3.49Å; F979-T982 WeakPolarHBondContact O-CB 3.28Å; F979-T982 PolarHBondContact O-N 3.24Å; F979-V983 HydrophobicContact CD1-CG2 4.27Å; F979-V983 HydrophobicContact CE1-CG2 3.73Å; F979-V983 HydrophobicContact CE2-CG2 4.43Å; F979-V983 HydrophobicContact CZ-CG2 3.81Å; F979-V983 PolarHBondContact O-N 3.45Å
980H90.7Very high89.5Confident0 Ų013.7 Ų13.70%07%0.074CC..Hα-helixtrans-71.2-31.4-176-167.769.1000112.7D850 L853 F976 T982 V983 C984D850-H980 PolarHBondContact O-NE2 3.41Å; L853-H980 WeakPolarHBondContact CB-NE2 3.22Å; F976-H980 HydrophobicContact CD1-CB 4.49Å; F976-H980 HydrophobicContact CE1-CB 4.13Å; F976-H980 HydrophobicContact CE2-CB 4.39Å; F976-H980 HydrophobicContact CZ-CB 4.07Å; F976-H980 WeakPolarHBondContact O-CB 3.36Å; F976-H980 PolarHBondContact O-N 3.15Å; H980-T982 PolarHBondContact O-N 3.46Å; H980-V983 WeakPolarHBondContact O-CA 3.25Å; H980-V983 WeakPolarHBondContact O-CB 3.47Å; H980-V983 PolarHBondContact O-N 2.88Å; H980-V983 VanDerWaalsContact O-N 3.08Å; H980-C984 PolarHBondContact NE2-SG 3.4Å; H980-C984 VanDerWaalsContact NE2-SG 3.43Å; H980-C984 PolarHBondContact O-N 2.78Å
981S94Very high88.9Confident0 Ų015.4 Ų15.40%08%0.084CC..Hα-helixtrans-53.5-43.8164.3-72.40000111.7L854 Q900 F977 F979 V983 C984 L985L854-S981 WeakPolarHBondContact CD1-OG 3.47Å; Q900-S981 VanDerWaalsContact NE2-CB 3.29Å; Q900-S981 PolarHBondContact NE2-OG 3.42Å; Q900-S981 VanDerWaalsContact NE2-OG 3.09Å; F977-S981 WeakPolarHBondContact O-CB 3.5Å; F977-S981 PolarHBondContact O-N 3.19Å; F977-S981 PolarHBondContact O-OG 2.89Å; F979-S981 PolarHBondContact O-N 3.46Å; S981-V983 VanDerWaalsContact C-N 3.34Å; S981-C984 PolarHBondContact O-N 3.36Å; S981-L985 WeakPolarHBondContact O-CB 3.49Å; S981-L985 WeakPolarHBondContact O-CG 3.33Å; S981-L985 PolarHBondContact O-N 3.2Å
982T93.3Very high88.5Confident23 Ų2314.7 Ų14.714%0.1418%0.08CC..Hα-helixtrans-66-37.5177-51.10000111.2L931 N934 R978 F979 H980 S986L931-T982 HydrophobicContact CD2-CG2 3.77Å; L931-T982 VanDerWaalsContact CD2-O 3.3Å; L931-T982 WeakPolarHBondContact CD2-O 3.43Å; N934-T982 WeakPolarHBondContact CB-OG1 3.5Å; R978-T982 PolarHBondContact O-N 3.09Å; R978-T982 PolarHBondContact O-OG1 3.46Å; F979-T982 WeakPolarHBondContact O-CA 3.49Å; F979-T982 WeakPolarHBondContact O-CB 3.28Å; F979-T982 PolarHBondContact O-N 3.24Å; H980-T982 PolarHBondContact O-N 3.46Å; T982-S986 WeakPolarHBondContact O-CB 3.46Å; T982-S986 PolarHBondContact O-N 3.02Å
983V90.3Very high88.3Confident3 Ų315.1 Ų15.12%0.0188%0.081CC..Hα-helixtrans-61.9-50.5173.3175.90000111.4N527 L530 F979 H980 S981 S986 D987N527-V983 HydrophobicContact CB-CG1 4.21Å; N527-V983 VanDerWaalsContact ND2-CG1 3.29Å; N527-V983 WeakPolarHBondContact ND2-CG1 3.36Å; N527-V983 PolarHBondContact ND2-O 2.87Å; L530-V983 HydrophobicContact CB-CG1 4.11Å; F979-V983 HydrophobicContact CD1-CG2 4.27Å; F979-V983 HydrophobicContact CE1-CG2 3.73Å; F979-V983 HydrophobicContact CE2-CG2 4.43Å; F979-V983 HydrophobicContact CZ-CG2 3.81Å; F979-V983 PolarHBondContact O-N 3.45Å; H980-V983 WeakPolarHBondContact O-CA 3.25Å; H980-V983 WeakPolarHBondContact O-CB 3.47Å; H980-V983 PolarHBondContact O-N 2.88Å; H980-V983 VanDerWaalsContact O-N 3.08Å; S981-V983 VanDerWaalsContact C-N 3.34Å; V983-S986 WeakPolarHBondContact O-CB 3.44Å; V983-S986 PolarHBondContact O-N 3.35Å; V983-S986 VanDerWaalsContact O-N 3.14Å; V983-S986 PolarHBondContact O-OG 3.02Å; V983-D987 PolarHBondContact O-N 3.28Å; V983-D987 VanDerWaalsContact O-N 3.13Å
984C90.4Very high87.4Confident7 Ų718.6 Ų18.65%0.0479%0.092CC..Hα-helixtrans-64.4-43.5179-63.50000112.3I904 H980 S981 S986 D987 I988I904-C984 HydrophobicContact CD1-CB 4.48Å; I904-C984 HydrophobicContact CG2-CB 3.63Å; H980-C984 PolarHBondContact NE2-SG 3.4Å; H980-C984 VanDerWaalsContact NE2-SG 3.43Å; H980-C984 PolarHBondContact O-N 2.78Å; S981-C984 PolarHBondContact O-N 3.36Å; C984-S986 PolarHBondContact O-N 3.12Å; C984-D987 PolarHBondContact O-N 3.15Å; C984-D987 VanDerWaalsContact O-N 3.13Å; C984-I988 WeakPolarHBondContact O-CG1 3.31Å; C984-I988 PolarHBondContact O-N 3.29Å
985L92.5Very high86.1Confident0 Ų022.5 Ų22.50%011%0.109CC..Hα-helixtrans-58.2-33.9173.4-72.8170.4000112.4F903 I904 L930 L931 N934 S981 W989F903-L985 HydrophobicContact CD1-CD2 4.13Å; F903-L985 HydrophobicContact CE1-CD2 3.66Å; I904-L985 HydrophobicContact CD1-CD2 4.41Å; I904-L985 HydrophobicContact CD1-CG 4.13Å; I904-L985 HydrophobicContact CG1-CD2 3.99Å; I904-L985 HydrophobicContact CG1-CG 4.21Å; L930-L985 HydrophobicContact CD2-CD1 4.22Å; L930-L985 HydrophobicContact CD2-CD2 3.91Å; L930-L985 HydrophobicContact CG-CD1 3.95Å; L930-L985 HydrophobicContact CG-CD2 4.47Å; L931-L985 HydrophobicContact CD2-CB 3.58Å; L931-L985 HydrophobicContact CG-CB 3.96Å; N934-L985 HydrophobicContact CB-CD1 4.42Å; S981-L985 WeakPolarHBondContact O-CB 3.49Å; S981-L985 WeakPolarHBondContact O-CG 3.33Å; S981-L985 PolarHBondContact O-N 3.2Å; L985-W989 VanDerWaalsContact O-CB 3.27Å; L985-W989 WeakPolarHBondContact O-CB 3.12Å; L985-W989 PolarHBondContact O-N 3.3Å
986S89Confident84.7Confident3 Ų326.7 Ų26.72%0.02112%0.124CC..Hα-helixtrans-73.4-31178.678.60000112.7Y529 T982 V983 C984 W989 A990Y529-S986 WeakPolarHBondContact CD2-OG 3.48Å; T982-S986 WeakPolarHBondContact O-CB 3.46Å; T982-S986 PolarHBondContact O-N 3.02Å; V983-S986 WeakPolarHBondContact O-CB 3.44Å; V983-S986 PolarHBondContact O-N 3.35Å; V983-S986 VanDerWaalsContact O-N 3.14Å; V983-S986 PolarHBondContact O-OG 3.02Å; C984-S986 PolarHBondContact O-N 3.12Å; S986-W989 WeakPolarHBondContact O-CB 3.41Å; S986-W989 PolarHBondContact O-N 3.19Å; S986-A990 WeakPolarHBondContact O-CB 3.45Å; S986-A990 PolarHBondContact O-N 3.35Å
987D84.5Confident82.9Confident41 Ų4130.4 Ų30.422%0.21915%0.147CC..Hα-helixtrans-74-44.9174.6-166.473.4000111.5V983 C984 W989 A990 N991V983-D987 PolarHBondContact O-N 3.28Å; V983-D987 VanDerWaalsContact O-N 3.13Å; C984-D987 PolarHBondContact O-N 3.15Å; C984-D987 VanDerWaalsContact O-N 3.13Å; D987-W989 PolarHBondContact O-N 3.35Å; D987-A990 CarbonylContact O-C 3.59Å; D987-A990 WeakPolarHBondContact O-CA 3.28Å; D987-A990 WeakPolarHBondContact O-CB 3.48Å; D987-A990 PolarHBondContact O-N 2.7Å; D987-N991 VanDerWaalsContact O-CB 3.3Å; D987-N991 WeakPolarHBondContact O-CB 3.43Å; D987-N991 PolarHBondContact O-N 3.01Å; D987-N991 PolarHBondContact OD1-ND2 3.21Å; D987-N991 PolarHBondContact OD2-ND2 3.08Å
988I86.9Confident80.4Confident7 Ų739.4 Ų39.44%0.03619%0.189CC..Hα-helixtrans-53.6-44170.2-64.5160.2000109.9L835 I904 A907 I927 C984 A990 N991 A992L835-I988 HydrophobicContact CD2-CG2 4.45Å; I904-I988 HydrophobicContact CB-CD1 4.42Å; I904-I988 HydrophobicContact CG1-CD1 4.41Å; I904-I988 HydrophobicContact CG2-CD1 4.04Å; A907-I988 HydrophobicContact CB-CD1 3.76Å; A907-I988 HydrophobicContact CB-CG1 4.28Å; A907-I988 HydrophobicContact CB-CG2 3.95Å; I927-I988 HydrophobicContact CD1-CG2 4.03Å; C984-I988 WeakPolarHBondContact O-CG1 3.31Å; C984-I988 PolarHBondContact O-N 3.29Å; I988-A990 VanDerWaalsContact C-N 3.32Å; I988-A990 PolarHBondContact O-N 2.99Å; I988-N991 PolarHBondContact O-N 3.49Å; I988-A992 HydrophobicContact CG2-CB 4.05Å; I988-A992 WeakPolarHBondContact O-CB 3.4Å; I988-A992 PolarHBondContact O-N 2.71Å
989W86.8Confident79.7Confident62 Ų6241.4 Ų41.424%0.23520%0.199CC..Hα-helixtrans-62.6-34.2174.3-172.5104.7000112.9R924 I927 T928 L931 L985 S986 D987R924-W989 PolarHBondContact NH1-O 2.82Å; R924-W989 VanDerWaalsContact NH2-CH2 3.31Å; R924-W989 VanDerWaalsContact NH2-CZ3 3.31Å; R924-W989 PolarHBondContact NH2-O 2.71Å; I927-W989 HydrophobicContact CG2-CB 4.04Å; T928-W989 PolarHBondContact OG1-NE1 3.03Å; L931-W989 HydrophobicContact CD1-CB 4.06Å; L931-W989 HydrophobicContact CD1-CG 3.97Å; L985-W989 VanDerWaalsContact O-CB 3.27Å; L985-W989 WeakPolarHBondContact O-CB 3.12Å; L985-W989 PolarHBondContact O-N 3.3Å; S986-W989 WeakPolarHBondContact O-CB 3.41Å; S986-W989 PolarHBondContact O-N 3.19Å; D987-W989 PolarHBondContact O-N 3.35Å
990A82.1Confident79.1Confident38 Ų3842.2 Ų42.231%0.31420%0.203SC..Hα-helixtrans-80.9-28.2177.700000114.5S986 D987 I988 R994S986-A990 WeakPolarHBondContact O-CB 3.45Å; S986-A990 PolarHBondContact O-N 3.35Å; D987-A990 CarbonylContact O-C 3.59Å; D987-A990 WeakPolarHBondContact O-CA 3.28Å; D987-A990 WeakPolarHBondContact O-CB 3.48Å; D987-A990 PolarHBondContact O-N 2.7Å; I988-A990 VanDerWaalsContact C-N 3.32Å; I988-A990 PolarHBondContact O-N 2.99Å; A990-R994 PolarHBondContact O-NE 3.17Å
991N77.1Confident78.4Confident37 Ų3744.5 Ų44.520%0.19822%0.215CC..Hα-helixtrans-117.9-38.1-162.6-66.7-16000114.7D987 I988 Y993 R994D987-N991 VanDerWaalsContact O-CB 3.3Å; D987-N991 WeakPolarHBondContact O-CB 3.43Å; D987-N991 PolarHBondContact O-N 3.01Å; D987-N991 PolarHBondContact OD1-ND2 3.21Å; D987-N991 PolarHBondContact OD2-ND2 3.08Å; I988-N991 PolarHBondContact O-N 3.49Å; N991-Y993 PolarHBondContact O-N 3.36Å; N991-R994 WeakPolarHBondContact O-CB 3.42Å; N991-R994 PolarHBondContact O-N 3.33Å; N991-R994 PolarHBondContact OD1-NE 3.37Å; N991-R994 PolarHBondContact OD1-NH1 3.16Å; N991-R994 VanDerWaalsContact OD1-NH1 3.13Å; N991-R994 PolarHBondContact OD1-NH2 3.06Å
992A79.7Confident77.5Confident4 Ų447.1 Ų47.13%0.03323%0.227CC..THydrogen-bonded Turntrans-62.3-13.7-171.800000115.1L838 R910 C911 A912 I988L838-A992 HydrophobicContact CD1-CB 4.4Å; R910-A992 WeakPolarHBondContact O-CA 3.37Å; R910-A992 WeakPolarHBondContact O-CB 3.2Å; C911-A992 CarbonylContact C-O 3.53Å; A912-A992 PolarHBondContact N-O 3.26Å; A912-A992 VanDerWaalsContact N-O 3.13Å; I988-A992 HydrophobicContact CG2-CB 4.05Å; I988-A992 WeakPolarHBondContact O-CB 3.4Å; I988-A992 PolarHBondContact O-N 2.71Å
993Y79.2Confident76.5Confident15 Ų1548.6 Ų48.66%0.05923%0.233CC..THydrogen-bonded Turntrans-109.39.6178.4-51.2-81.1000113.7K921 P922 R924 I927 N991K921-Y993 VanDerWaalsContact C-CE1 3.46Å; K921-Y993 HydrophobicContact CB-CD1 3.93Å; K921-Y993 HydrophobicContact CB-CE1 4.04Å; K921-Y993 HydrophobicContact CB-CG 4.47Å; K921-Y993 HydrophobicContact CG-CD1 4.19Å; K921-Y993 HydrophobicContact CG-CG 4.44Å; P922-Y993 HydrophobicContact CG-CE1 4.43Å; P922-Y993 VanDerWaalsContact O-CE1 3.3Å; P922-Y993 WeakPolarHBondContact O-CE1 3.07Å; P922-Y993 PolarHBondContact O-OH 2.93Å; R924-Y993 WeakPolarHBondContact CA-OH 3.3Å; R924-Y993 HydrophobicContact CB-CE2 4.33Å; R924-Y993 PolarHBondContact N-OH 3.25Å; I927-Y993 HydrophobicContact CD1-CE2 4.16Å; I927-Y993 WeakPolarHBondContact CD1-OH 3.41Å; N991-Y993 PolarHBondContact O-N 3.36Å
994R70.1Confident75.6Confident107 Ų10751.7 Ų51.740%0.40425%0.247SC..SBendtrans-78.2139.5168.6-63.5-179.2-175.1176.65.1108.8E524 A990 N991 R996E524-R994 IonicContact OE1-NH1 3.89Å; A990-R994 PolarHBondContact O-NE 3.17Å; N991-R994 WeakPolarHBondContact O-CB 3.42Å; N991-R994 PolarHBondContact O-N 3.33Å; N991-R994 PolarHBondContact OD1-NE 3.37Å; N991-R994 PolarHBondContact OD1-NH1 3.16Å; N991-R994 VanDerWaalsContact OD1-NH1 3.13Å; N991-R994 PolarHBondContact OD1-NH2 3.06Å; R994-R996 PolarHBondContact O-N 3.25Å
995F64.7Low74.6Confident83 Ų8354.9 Ų54.936%0.36426%0.261SS..  trans-78.7111.3172.2-163.8-112.2000108.6T766 A912 V918 T997T766-F995 HydrophobicContact CG2-CB 4.38Å; A912-F995 VanDerWaalsContact O-CD2 3.25Å; A912-F995 WeakPolarHBondContact O-CD2 3.38Å; V918-F995 HydrophobicContact CG2-CB 4.06Å; V918-F995 HydrophobicContact CG2-CD2 4.14Å; F995-T997 HydrophobicContact CD1-CG2 3.87Å; F995-T997 HydrophobicContact CE1-CG2 3.52Å
996R59.7Low73.2Confident96 Ų9659.1 Ų59.136%0.36228%0.281SS..  trans-96.1108.8168.7176.3171.6-83.4159.3-6.1106.5S841 R994 E998S841-R996 PolarHBondContact OG-NH1 3.07Å; R994-R996 PolarHBondContact O-N 3.25Å; R996-E998 PolarHBondContact O-N 3.18Å
997T51.4Low71.9Confident86 Ų8663.8 Ų63.853%0.52830%0.303SS..  trans-73.8110.4163.146.80000107.6F995F995-T997 HydrophobicContact CD1-CG2 3.87Å; F995-T997 HydrophobicContact CE1-CG2 3.52Å
998E40.6Very low70.7Confident189 Ų18965.8 Ų65.888%0.88331%0.31SS*.  trans-640140.8-67.4149.8-120.400108.8K839 R996K839-E998 IonicContact NZ-OE1 3.6Å; K839-E998 PolarHBondContact NZ-OE1 3.17Å; K839-E998 IonicContact NZ-OE2 2.65Å; K839-E998 PolarHBondContact NZ-OE2 3.29Å; R996-E998 PolarHBondContact O-N 3.18Å

Retrieved 998 of 998 residues in 687.5 ms (Link to these results)

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