G4M0G9_SCHMA Loading...

Acetylcholine-gated chloride channel subunit

AlphaFold DB , UniProt , Accession G4M0G9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 804 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M70.6Confident85.6Confident186 Ų186120.8 Ų120.892%0.91659%0.587SS**  0-35.80-81.2-59-157.600111.4L3 I4 Y5M1-L3 VanDerWaalsContact C-N 3.35Å; M1-L3 PolarHBondContact O-N 3.16Å; M1-I4 WeakPolarHBondContact O-CB 3.42Å; M1-I4 PolarHBondContact O-N 3.42Å; M1-Y5 PolarHBondContact O-N 3.14Å
2D84.7Confident85.4Confident125 Ų125117 Ų11767%0.66857%0.569SS**Hα-helixtrans-64.6-34-159.8-40.8-83.3000113.1I4 Y5 L6D2-I4 VanDerWaalsContact C-N 3.32Å; D2-I4 PolarHBondContact O-N 3.32Å; D2-Y5 PolarHBondContact O-N 3.31Å; D2-L6 PolarHBondContact O-N 2.81Å
3L85.2Confident85.2Confident130 Ų130117.8 Ų117.868%0.68157%0.568SS**Hα-helixtrans-61.9-38.1172.6-161.479.3000112.4M1 L6 I7M1-L3 VanDerWaalsContact C-N 3.35Å; M1-L3 PolarHBondContact O-N 3.16Å; L3-L6 PolarHBondContact O-N 3.12Å; L3-I7 HydrophobicContact CG-CD1 4.26Å; L3-I7 WeakPolarHBondContact O-CB 3.43Å; L3-I7 WeakPolarHBondContact O-CD1 3.43Å; L3-I7 VanDerWaalsContact O-CG1 3.25Å; L3-I7 WeakPolarHBondContact O-CG1 3.37Å; L3-I7 PolarHBondContact O-N 3.16Å
4I87.7Confident84.9Confident121 Ų121119.6 Ų119.662%0.62157%0.567SS**Hα-helixtrans-70.3-37.8177-59.3173.5000109.7M1 D2 I7 Y8M1-I4 WeakPolarHBondContact O-CB 3.42Å; M1-I4 PolarHBondContact O-N 3.42Å; D2-I4 VanDerWaalsContact C-N 3.32Å; D2-I4 PolarHBondContact O-N 3.32Å; I4-I7 PolarHBondContact O-N 2.91Å; I4-Y8 WeakPolarHBondContact O-CB 3.45Å; I4-Y8 PolarHBondContact O-N 3.36Å
5Y88.7Confident84.5Confident149 Ų149115 Ų11558%0.58456%0.557SS**Hα-helixtrans-65.8-41.5175.1-165.7-95.4000112M1 D2 Y8 Q9M1-Y5 PolarHBondContact O-N 3.14Å; D2-Y5 PolarHBondContact O-N 3.31Å; Y5-Y8 PolarHBondContact O-N 3.22Å; Y5-Q9 HydrophobicContact CD1-CG 3.95Å; Y5-Q9 HydrophobicContact CE1-CG 3.66Å; Y5-Q9 WeakPolarHBondContact O-CB 3.46Å; Y5-Q9 VanDerWaalsContact O-CG 3.31Å; Y5-Q9 WeakPolarHBondContact O-CG 3.49Å; Y5-Q9 PolarHBondContact O-N 3.42Å; Y5-Q9 PolarHBondContact OH-NE2 3.21Å
6L87.5Confident83.9Confident109 Ų109115.1 Ų115.157%0.57156%0.561SS**Hα-helixtrans-63.5-42173.1-82.3165.5000112.5D2 L3 Q9 L10D2-L6 PolarHBondContact O-N 2.81Å; L3-L6 PolarHBondContact O-N 3.12Å; L6-Q9 PolarHBondContact O-N 3.32Å; L6-L10 WeakPolarHBondContact O-CB 3.34Å; L6-L10 PolarHBondContact O-N 2.92Å
7I90Very high83.2Confident87 Ų87117.6 Ų117.645%0.44657%0.569SS.*Hα-helixtrans-64.4-42.2174.6-70.7164.3000110.6L3 I4 L10 I11L3-I7 HydrophobicContact CG-CD1 4.26Å; L3-I7 WeakPolarHBondContact O-CB 3.43Å; L3-I7 WeakPolarHBondContact O-CD1 3.43Å; L3-I7 VanDerWaalsContact O-CG1 3.25Å; L3-I7 WeakPolarHBondContact O-CG1 3.37Å; L3-I7 PolarHBondContact O-N 3.16Å; I4-I7 PolarHBondContact O-N 2.91Å; I7-L10 PolarHBondContact O-N 3.17Å; I7-I11 HydrophobicContact CG2-CD1 3.76Å; I7-I11 HydrophobicContact CG2-CG1 4.44Å; I7-I11 WeakPolarHBondContact O-CB 3.39Å; I7-I11 VanDerWaalsContact O-CG1 3.28Å; I7-I11 WeakPolarHBondContact O-CG1 3.39Å; I7-I11 PolarHBondContact O-N 3.48Å
8Y88.9Confident82.1Confident138 Ų138118.3 Ų118.354%0.54158%0.575SS.*Hα-helixtrans-64.8-42.8176.6-169.2-96.9000112I4 Y5 I11 M12I4-Y8 WeakPolarHBondContact O-CB 3.45Å; I4-Y8 PolarHBondContact O-N 3.36Å; Y5-Y8 PolarHBondContact O-N 3.22Å; Y8-I11 PolarHBondContact O-N 3.49Å; Y8-M12 HydrophobicContact CD1-CG 3.94Å; Y8-M12 HydrophobicContact CE1-CG 3.63Å; Y8-M12 HydrophobicContact CE1-SD 4.27Å; Y8-M12 WeakPolarHBondContact O-CB 3.39Å; Y8-M12 VanDerWaalsContact O-CG 3.29Å; Y8-M12 WeakPolarHBondContact O-CG 3.45Å; Y8-M12 PolarHBondContact O-N 3.09Å
9Q87.1Confident80.8Confident90 Ų90119.6 Ų119.642%0.42158%0.58SS.*Hα-helixtrans-64.5-38.1174.3-72.7-68.6-0.100112.1Y5 L6 M12 F13Y5-Q9 HydrophobicContact CD1-CG 3.95Å; Y5-Q9 HydrophobicContact CE1-CG 3.66Å; Y5-Q9 WeakPolarHBondContact O-CB 3.46Å; Y5-Q9 VanDerWaalsContact O-CG 3.31Å; Y5-Q9 WeakPolarHBondContact O-CG 3.49Å; Y5-Q9 PolarHBondContact O-N 3.42Å; Y5-Q9 PolarHBondContact OH-NE2 3.21Å; L6-Q9 PolarHBondContact O-N 3.32Å; Q9-M12 PolarHBondContact O-N 3Å; Q9-F13 VanDerWaalsContact O-CB 3.23Å; Q9-F13 WeakPolarHBondContact O-CB 3.25Å; Q9-F13 PolarHBondContact O-N 3.38Å
10L85.5Confident79.5Confident94 Ų94118.6 Ų118.649%0.49258%0.583SS.*Hα-helixtrans-64.5-43.9172.1-89.2162.3000112.2L6 I7 F13 Y14L6-L10 WeakPolarHBondContact O-CB 3.34Å; L6-L10 PolarHBondContact O-N 2.92Å; I7-L10 PolarHBondContact O-N 3.17Å; L10-F13 PolarHBondContact O-N 3.38Å; L10-Y14 HydrophobicContact CD2-CD2 4.38Å; L10-Y14 HydrophobicContact CD2-CE2 4.12Å; L10-Y14 WeakPolarHBondContact O-CB 3.46Å; L10-Y14 WeakPolarHBondContact O-CD2 3.42Å; L10-Y14 PolarHBondContact O-N 3.35Å
11I85.9Confident78Confident100 Ų100121.3 Ų121.351%0.51360%0.599SS.*Hα-helixtrans-63.5-43.3176.3-70.4166.7000110.6I7 Y8 Y14 A15I7-I11 HydrophobicContact CG2-CD1 3.76Å; I7-I11 HydrophobicContact CG2-CG1 4.44Å; I7-I11 WeakPolarHBondContact O-CB 3.39Å; I7-I11 VanDerWaalsContact O-CG1 3.28Å; I7-I11 WeakPolarHBondContact O-CG1 3.39Å; I7-I11 PolarHBondContact O-N 3.48Å; Y8-I11 PolarHBondContact O-N 3.49Å; I11-Y14 PolarHBondContact O-N 3.08Å; I11-A15 WeakPolarHBondContact O-CB 3.27Å; I11-A15 PolarHBondContact O-N 2.93Å
12M83.1Confident76.9Confident75 Ų75120.1 Ų120.137%0.36959%0.591SS.*Hα-helixtrans-67.4-36.4176-70.3-61.6-66.500112.3Y8 Q9 N16Y8-M12 HydrophobicContact CD1-CG 3.94Å; Y8-M12 HydrophobicContact CE1-CG 3.63Å; Y8-M12 HydrophobicContact CE1-SD 4.27Å; Y8-M12 WeakPolarHBondContact O-CB 3.39Å; Y8-M12 VanDerWaalsContact O-CG 3.29Å; Y8-M12 WeakPolarHBondContact O-CG 3.45Å; Y8-M12 PolarHBondContact O-N 3.09Å; Q9-M12 PolarHBondContact O-N 3Å; M12-N16 WeakPolarHBondContact O-CB 3.41Å; M12-N16 PolarHBondContact O-N 2.97Å; M12-N16 PolarHBondContact O-ND2 3.18Å
13F83Confident74.9Confident127 Ų127118.3 Ų118.356%0.55759%0.588SS**Hα-helixtrans-65.2-51.2174.1-171.5-94.1000110.6Q9 L10 A15 N16 F17Q9-F13 VanDerWaalsContact O-CB 3.23Å; Q9-F13 WeakPolarHBondContact O-CB 3.25Å; Q9-F13 PolarHBondContact O-N 3.38Å; L10-F13 PolarHBondContact O-N 3.38Å; F13-A15 PolarHBondContact O-N 3.49Å; F13-N16 PolarHBondContact O-N 3.44Å; F13-F17 HydrophobicContact CE1-CD2 4.29Å; F13-F17 HydrophobicContact CZ-CD2 4.07Å; F13-F17 HydrophobicContact CZ-CE2 4.38Å; F13-F17 WeakPolarHBondContact O-CB 3.38Å; F13-F17 PolarHBondContact O-N 2.93Å
14Y80.4Confident72.9Confident144 Ų144121 Ų12157%0.56560%0.598SS**Hα-helixtrans-61.4-38.9175.7-88.4-72.8000112.7L10 I11 F17 L18L10-Y14 HydrophobicContact CD2-CD2 4.38Å; L10-Y14 HydrophobicContact CD2-CE2 4.12Å; L10-Y14 WeakPolarHBondContact O-CB 3.46Å; L10-Y14 WeakPolarHBondContact O-CD2 3.42Å; L10-Y14 PolarHBondContact O-N 3.35Å; I11-Y14 PolarHBondContact O-N 3.08Å; Y14-F17 PolarHBondContact O-N 3.48Å; Y14-L18 HydrophobicContact CD1-CD1 3.99Å; Y14-L18 HydrophobicContact CD1-CG 4.49Å; Y14-L18 WeakPolarHBondContact O-CB 3.26Å; Y14-L18 WeakPolarHBondContact O-CG 3.26Å; Y14-L18 PolarHBondContact O-N 3.34Å
15A79.4Confident70.7Confident50 Ų50124.2 Ų124.241%0.41360%0.603SS.*Hα-helixtrans-64.1-40.9176.600000112.4I11 F13 H19I11-A15 WeakPolarHBondContact O-CB 3.27Å; I11-A15 PolarHBondContact O-N 2.93Å; F13-A15 PolarHBondContact O-N 3.49Å; A15-H19 PolarHBondContact O-N 3.25Å
16N75Confident68.8Low117 Ų117121.5 Ų121.563%0.62660%0.603SS**Hα-helixtrans-74.9-23.2176.2-73.2-64.7000113.3M12 F13M12-N16 WeakPolarHBondContact O-CB 3.41Å; M12-N16 PolarHBondContact O-N 2.97Å; M12-N16 PolarHBondContact O-ND2 3.18Å; F13-N16 PolarHBondContact O-N 3.44Å
17F71.8Confident67Low157 Ų157123 Ų12369%0.68961%0.611SS**Hα-helixtrans-98.2-13.8179.5-133.6-85000114.2F13 Y14F13-F17 HydrophobicContact CE1-CD2 4.29Å; F13-F17 HydrophobicContact CZ-CD2 4.07Å; F13-F17 HydrophobicContact CZ-CE2 4.38Å; F13-F17 WeakPolarHBondContact O-CB 3.38Å; F13-F17 PolarHBondContact O-N 2.93Å; Y14-F17 PolarHBondContact O-N 3.48Å
18L63.3Low65.8Low131 Ų131125.8 Ų125.869%0.68662%0.62SS**Hα-helixtrans-100.6-4.3171.2-75165.8000113.2Y14 P20Y14-L18 HydrophobicContact CD1-CD1 3.99Å; Y14-L18 HydrophobicContact CD1-CG 4.49Å; Y14-L18 WeakPolarHBondContact O-CB 3.26Å; Y14-L18 WeakPolarHBondContact O-CG 3.26Å; Y14-L18 PolarHBondContact O-N 3.34Å; L18-P20 VanDerWaalsContact O-CD 3.25Å; L18-P20 WeakPolarHBondContact O-CD 3.43Å
19H58.4Low65.4Low142 Ų142126.9 Ų126.966%0.65762%0.623SS**SBendtrans-57.3119151.2-107.4-79.2000107.1A15 L21A15-H19 PolarHBondContact O-N 3.25Å; H19-L21 PolarHBondContact O-N 3.05Å
20P53.6Low65.6Low100 Ų100123.5 Ų123.565%0.64961%0.609SS**  trans-59.1135.2175-21.233.4000108.4L18 E22L18-P20 VanDerWaalsContact O-CD 3.25Å; L18-P20 WeakPolarHBondContact O-CD 3.43Å; P20-E22 HydrophobicContact CB-CB 4.24Å; P20-E22 PolarHBondContact O-N 3.22Å
21L48.6Very low65.9Low176 Ų176122 Ų12292%0.92160%0.599SS**  trans-69.867.1150.6-71.9172.1000107.4H19 S23H19-L21 PolarHBondContact O-N 3.05Å; L21-S23 PolarHBondContact O-N 3.44Å
22E46.7Very low66.1Low160 Ų160123.7 Ų123.775%0.74860%0.603SS**  trans-69.779.1160.9-173.7161.7-127.100105.9P20 Q24P20-E22 HydrophobicContact CB-CB 4.24Å; P20-E22 PolarHBondContact O-N 3.22Å; E22-Q24 PolarHBondContact O-N 3.17Å
23S42.4Very low66.6Low87 Ų87122.4 Ų122.461%0.60860%0.601SS**  trans-52.4114.5172.549.10000107.4L21 Y25L21-S23 PolarHBondContact O-N 3.44Å; S23-Y25 PolarHBondContact O-N 2.92Å
24Q43.1Very low67.1Low187 Ų187116.4 Ų116.487%0.87458%0.575SS**SBendtrans-72.147.6168.4-71.9-171.6-28.200111.3E22 T26E22-Q24 PolarHBondContact O-N 3.17Å; Q24-T26 VanDerWaalsContact C-N 3.29Å
25Y41.8Very low67.7Low188 Ų188111.4 Ų111.474%0.73756%0.557SS**  trans-101.951.8148.8-137.2-77.5000107.5S23 D27S23-Y25 PolarHBondContact O-N 2.92Å; Y25-D27 PolarHBondContact O-N 3.5Å; Y25-D27 VanDerWaalsContact O-N 3.14Å
26T49.6Very low68.4Low93 Ų93116.2 Ų116.257%0.57157%0.569SS**  trans-62.9113.4158.946.80000105.9Q24 K28Q24-T26 VanDerWaalsContact C-N 3.29Å; T26-K28 PolarHBondContact O-N 3.41Å
27D50Low69.2Low139 Ų139114 Ų11474%0.74356%0.557SS**  trans-64.978166-74.3-38.2000107.7Y25 W29Y25-D27 PolarHBondContact O-N 3.5Å; Y25-D27 VanDerWaalsContact O-N 3.14Å; D27-W29 PolarHBondContact O-N 3.06Å
28K64.1Low70.3Confident147 Ų147107.7 Ų107.764%0.63953%0.531SS*.  trans-81.867.6-167.3-166.1-170.8-179.7-162.20107.9T26 T30T26-K28 PolarHBondContact O-N 3.41Å; K28-T30 VanDerWaalsContact C-N 3.34Å; K28-T30 WeakPolarHBondContact O-CG2 3.47Å; K28-T30 PolarHBondContact O-N 2.66Å
29W81.3Confident71.8Confident161 Ų161103.3 Ų103.361%0.6151%0.508SS*.  trans-61.794.5-175.9-161.939.1000108.8D27 E31 K32 S33D27-W29 PolarHBondContact O-N 3.06Å; W29-E31 PolarHBondContact O-N 3.06Å; W29-K32 HydrophobicContact CB-CB 4.07Å; W29-K32 HydrophobicContact CD2-CB 3.99Å; W29-K32 HydrophobicContact CE3-CB 3.48Å; W29-K32 VanDerWaalsContact CE3-CB 3.48Å; W29-K32 HydrophobicContact CE3-CD 3.87Å; W29-K32 HydrophobicContact CE3-CG 3.67Å; W29-K32 HydrophobicContact CG-CB 4.29Å; W29-K32 HydrophobicContact CZ3-CB 4.12Å; W29-K32 HydrophobicContact CZ3-CG 4.04Å; W29-K32 WeakPolarHBondContact O-CA 3.48Å; W29-K32 WeakPolarHBondContact O-CB 3.38Å; W29-K32 PolarHBondContact O-N 2.91Å; W29-S33 PolarHBondContact O-N 3.35Å
30T90.6Very high73.4Confident19 Ų19105.1 Ų105.112%0.11751%0.509CS..Hα-helixtrans-68.1-37.1-163.738.10000112.6K28 K32 S33 L34 E111K28-T30 VanDerWaalsContact C-N 3.34Å; K28-T30 WeakPolarHBondContact O-CG2 3.47Å; K28-T30 PolarHBondContact O-N 2.66Å; T30-K32 PolarHBondContact O-N 3.15Å; T30-S33 WeakPolarHBondContact O-CB 3.48Å; T30-S33 PolarHBondContact O-N 2.92Å; T30-S33 VanDerWaalsContact O-N 3.11Å; T30-L34 PolarHBondContact O-N 3.37Å; T30-E111 WeakPolarHBondContact CB-OE2 3.4Å; T30-E111 HydrophobicContact CG2-CG 3.92Å; T30-E111 WeakPolarHBondContact CG2-OE2 3.47Å; T30-E111 PolarHBondContact OG1-OE2 2.78Å
31E91.3Very high75.1Confident61 Ų61107.1 Ų107.129%0.28551%0.514SS..Hα-helixtrans-55.2-36.5168.4-169.1-178.9-171.600112W29 L34 I35 I113 I116W29-E31 PolarHBondContact O-N 3.06Å; E31-L34 PolarHBondContact O-N 2.94Å; E31-I35 HydrophobicContact CG-CD1 3.84Å; E31-I35 HydrophobicContact CG-CG1 4.48Å; E31-I35 WeakPolarHBondContact O-CB 3.44Å; E31-I35 VanDerWaalsContact O-CG1 3.28Å; E31-I35 WeakPolarHBondContact O-CG1 3.49Å; E31-I35 PolarHBondContact O-N 2.91Å; E31-I113 HydrophobicContact CB-CD1 3.95Å; E31-I116 HydrophobicContact CG-CG2 4.07Å
32K91.4Very high77.3Confident136 Ų136100.5 Ų100.559%0.59148%0.477SS*.Hα-helixtrans-66.3-41.4176-155.5-165.6-163.8167.50112.3W29 T30 K36W29-K32 HydrophobicContact CB-CB 4.07Å; W29-K32 HydrophobicContact CD2-CB 3.99Å; W29-K32 HydrophobicContact CE3-CB 3.48Å; W29-K32 VanDerWaalsContact CE3-CB 3.48Å; W29-K32 HydrophobicContact CE3-CD 3.87Å; W29-K32 HydrophobicContact CE3-CG 3.67Å; W29-K32 HydrophobicContact CG-CB 4.29Å; W29-K32 HydrophobicContact CZ3-CB 4.12Å; W29-K32 HydrophobicContact CZ3-CG 4.04Å; W29-K32 WeakPolarHBondContact O-CA 3.48Å; W29-K32 WeakPolarHBondContact O-CB 3.38Å; W29-K32 PolarHBondContact O-N 2.91Å; T30-K32 PolarHBondContact O-N 3.15Å; K32-K36 WeakPolarHBondContact O-CB 3.41Å; K32-K36 PolarHBondContact O-N 3.42Å
33S91.9Very high79.6Confident48 Ų4898 Ų9834%0.33647%0.465SS..Hα-helixtrans-64.3-53.1174.7-84.80000109.6W29 T30 I35 K36 D37W29-S33 PolarHBondContact O-N 3.35Å; T30-S33 WeakPolarHBondContact O-CB 3.48Å; T30-S33 PolarHBondContact O-N 2.92Å; T30-S33 VanDerWaalsContact O-N 3.11Å; S33-I35 PolarHBondContact O-N 3.5Å; S33-K36 CarbonylContact O-C 3.51Å; S33-K36 WeakPolarHBondContact O-CB 3.44Å; S33-K36 PolarHBondContact O-N 2.9Å; S33-D37 WeakPolarHBondContact O-CB 3.32Å; S33-D37 VanDerWaalsContact O-CG 3.25Å; S33-D37 PolarHBondContact O-N 2.89Å; S33-D37 VanDerWaalsContact O-OD2 3.09Å
34L94Very high82Confident1 Ų198.6 Ų98.61%0.00546%0.457CS..Hα-helixtrans-51-54.3177.5179.157.7000112.5T30 E31 K36 D37 L38 W105 Y110 I113 I116T30-L34 PolarHBondContact O-N 3.37Å; E31-L34 PolarHBondContact O-N 2.94Å; L34-K36 VanDerWaalsContact C-N 3.31Å; L34-K36 PolarHBondContact O-N 3.19Å; L34-D37 PolarHBondContact O-N 3.24Å; L34-L38 HydrophobicContact CD1-CD1 3.73Å; L34-L38 HydrophobicContact CD1-CG 3.95Å; L34-L38 HydrophobicContact CG-CD1 4Å; L34-L38 WeakPolarHBondContact O-CB 3.4Å; L34-L38 VanDerWaalsContact O-CG 3.28Å; L34-L38 WeakPolarHBondContact O-CG 3.33Å; L34-L38 PolarHBondContact O-N 3.06Å; L34-W105 HydrophobicContact CD1-CB 3.76Å; L34-W105 HydrophobicContact CD1-CD2 3.79Å; L34-W105 HydrophobicContact CD1-CE3 4.33Å; L34-W105 HydrophobicContact CD1-CG 3.51Å; L34-W105 HydrophobicContact CD2-CD2 4.05Å; L34-W105 HydrophobicContact CD2-CG 4.28Å; L34-W105 HydrophobicContact CD2-CZ2 4.04Å; L34-W105 HydrophobicContact CG-CD2 4.44Å; L34-Y110 HydrophobicContact CB-CD1 3.61Å; L34-Y110 HydrophobicContact CB-CE1 3.88Å; L34-Y110 HydrophobicContact CB-CG 4.15Å; L34-Y110 HydrophobicContact CD1-CD1 4.1Å; L34-Y110 HydrophobicContact CD1-CD2 3.94Å; L34-Y110 HydrophobicContact CD1-CE1 4.09Å; L34-Y110 HydrophobicContact CD1-CE2 3.96Å; L34-Y110 HydrophobicContact CD1-CG 4.01Å; L34-Y110 HydrophobicContact CD2-CG 4.45Å; L34-Y110 HydrophobicContact CG-CD1 4.33Å; L34-Y110 HydrophobicContact CG-CG 4.43Å; L34-I113 HydrophobicContact CD2-CB 4.31Å; L34-I113 HydrophobicContact CD2-CG2 3.79Å; L34-I116 HydrophobicContact CD2-CD1 4.35Å; L34-I116 HydrophobicContact CD2-CG2 3.73Å; L34-I116 HydrophobicContact CG-CD1 4.35Å
35I93.4Very high84.3Confident39 Ų39100 Ų10020%0.245%0.454CS..Hα-helixtrans-62.2-38.1179.1-69.4169.8000111.5E31 S33 L39 I116E31-I35 HydrophobicContact CG-CD1 3.84Å; E31-I35 HydrophobicContact CG-CG1 4.48Å; E31-I35 WeakPolarHBondContact O-CB 3.44Å; E31-I35 VanDerWaalsContact O-CG1 3.28Å; E31-I35 WeakPolarHBondContact O-CG1 3.49Å; E31-I35 PolarHBondContact O-N 2.91Å; S33-I35 PolarHBondContact O-N 3.5Å; I35-L39 HydrophobicContact CG2-CD1 3.8Å; I35-L39 VanDerWaalsContact O-CB 3.28Å; I35-L39 WeakPolarHBondContact O-CB 3.33Å; I35-L39 VanDerWaalsContact O-CG 3.29Å; I35-L39 WeakPolarHBondContact O-CG 3.31Å; I35-L39 PolarHBondContact O-N 3.38Å; I35-L39 VanDerWaalsContact O-N 3.13Å; I35-I116 HydrophobicContact CG1-CD1 4.04Å
36K93.4Very high86.7Confident151 Ų15193.5 Ų93.566%0.65744%0.439SS*.Hα-helixtrans-69.4-40178.5-178.3-169.2171.9-1610112.1K32 S33 L34 R40K32-K36 WeakPolarHBondContact O-CB 3.41Å; K32-K36 PolarHBondContact O-N 3.42Å; S33-K36 CarbonylContact O-C 3.51Å; S33-K36 WeakPolarHBondContact O-CB 3.44Å; S33-K36 PolarHBondContact O-N 2.9Å; L34-K36 VanDerWaalsContact C-N 3.31Å; L34-K36 PolarHBondContact O-N 3.19Å; K36-R40 WeakPolarHBondContact O-CB 3.48Å; K36-R40 PolarHBondContact O-N 3.45Å
37D93.5Very high88.8Confident70 Ų7091.3 Ų91.337%0.37442%0.421SS..Hα-helixtrans-79.8-35.7-174-64.7-37000110.8S33 L34 R40S33-D37 WeakPolarHBondContact O-CB 3.32Å; S33-D37 VanDerWaalsContact O-CG 3.25Å; S33-D37 PolarHBondContact O-N 2.89Å; S33-D37 VanDerWaalsContact O-OD2 3.09Å; L34-D37 PolarHBondContact O-N 3.24Å; D37-R40 WeakPolarHBondContact O-CB 3.37Å
38L94.2Very high90.8Very high26 Ų2684.8 Ų84.814%0.13639%0.386CS..Hα-helixtrans-63.9-46.8168.8-70.9174.5000112.9L34 R40 L103 W105 I116L34-L38 HydrophobicContact CD1-CD1 3.73Å; L34-L38 HydrophobicContact CD1-CG 3.95Å; L34-L38 HydrophobicContact CG-CD1 4Å; L34-L38 WeakPolarHBondContact O-CB 3.4Å; L34-L38 VanDerWaalsContact O-CG 3.28Å; L34-L38 WeakPolarHBondContact O-CG 3.33Å; L34-L38 PolarHBondContact O-N 3.06Å; L38-R40 VanDerWaalsContact C-N 3.28Å; L38-R40 PolarHBondContact O-N 2.87Å; L38-L103 HydrophobicContact CB-CD2 4.34Å; L38-W105 HydrophobicContact CD1-CD2 4.48Å; L38-W105 HydrophobicContact CD1-CE3 3.74Å; L38-W105 HydrophobicContact CD1-CZ3 4.07Å; L38-W105 HydrophobicContact CD2-CE3 4.46Å; L38-I116 HydrophobicContact CD1-CD1 3.63Å
39L94.1Very high92.1Very high39 Ų3979.1 Ų79.120%0.20436%0.364CS..THydrogen-bonded Turntrans-86.47.7-175.9-60.8177.6000113.8I35 Y42 L103 I118 K122 I123I35-L39 HydrophobicContact CG2-CD1 3.8Å; I35-L39 VanDerWaalsContact O-CB 3.28Å; I35-L39 WeakPolarHBondContact O-CB 3.33Å; I35-L39 VanDerWaalsContact O-CG 3.29Å; I35-L39 WeakPolarHBondContact O-CG 3.31Å; I35-L39 PolarHBondContact O-N 3.38Å; I35-L39 VanDerWaalsContact O-N 3.13Å; L39-Y42 HydrophobicContact CD2-CG 4.44Å; L39-L103 HydrophobicContact CD2-CD2 4.3Å; L39-I118 HydrophobicContact CD1-CG2 4.01Å; L39-K122 HydrophobicContact CD1-CB 4.13Å; L39-K122 HydrophobicContact CD1-CD 3.98Å; L39-I123 HydrophobicContact CD2-CG2 4Å
40R92.2Very high92.5Very high179 Ų17972.9 Ų72.968%0.67534%0.343SS*.SBendtrans-63.2-48.6-173.1-178.4-176.6165.5153.5-2113.1K36 D37 L38K36-R40 WeakPolarHBondContact O-CB 3.48Å; K36-R40 PolarHBondContact O-N 3.45Å; D37-R40 WeakPolarHBondContact O-CB 3.37Å; L38-R40 VanDerWaalsContact C-N 3.28Å; L38-R40 PolarHBondContact O-N 2.87Å
41D90.3Very high92.3Very high142 Ų14278.3 Ų78.376%0.75937%0.372SS*.SBendtrans-123.318.9-173.1-59.4-61.8000111.1
42Y95Very high92Very high37 Ų3779 Ų7915%0.14540%0.396CS..  trans-82.9115.9-176.9-174.4-78.7000111.8L39 K44 D100 H102 L103 I123 W124L39-Y42 HydrophobicContact CD2-CG 4.44Å; Y42-K44 HydrophobicContact CD1-CB 4.38Å; Y42-K44 HydrophobicContact CE1-CB 4.04Å; Y42-D100 WeakPolarHBondContact CE2-OD2 3.18Å; Y42-D100 PolarHBondContact OH-OD2 3.04Å; Y42-H102 HydrophobicContact CD2-CB 3.91Å; Y42-H102 HydrophobicContact CE2-CB 3.98Å; Y42-L103 HydrophobicContact CD2-CD2 3.84Å; Y42-L103 HydrophobicContact CD2-CG 4.32Å; Y42-L103 HydrophobicContact CE2-CD1 4.15Å; Y42-L103 HydrophobicContact CE2-CD2 3.79Å; Y42-L103 HydrophobicContact CE2-CG 3.79Å; Y42-I123 HydrophobicContact CE1-CB 4.19Å; Y42-I123 HydrophobicContact CE1-CG2 4.46Å; Y42-W124 WeakPolarHBondContact OH-CB 3.48Å; Y42-W124 PolarHBondContact OH-N 3.05Å
43E94.3Very high91.7Very high108 Ų10878.2 Ų78.251%0.50540%0.396SS..  trans-96.399.2176.5173.549.6-93.300111.2R45 A46E43-R45 HydrophobicContact CG-CB 4.42Å; E43-R45 PolarHBondContact O-N 2.89Å; E43-R45 VanDerWaalsContact OE1-CB 3.28Å; E43-R45 WeakPolarHBondContact OE1-CB 3.48Å; E43-R45 WeakPolarHBondContact OE1-CG 3.43Å; E43-R45 PolarHBondContact OE1-N 3.33Å; E43-A46 HydrophobicContact CG-CB 4.48Å; E43-A46 WeakPolarHBondContact O-CB 3.38Å; E43-A46 PolarHBondContact O-N 3.13Å
44K92.4Very high91.6Very high99 Ų9976.3 Ų76.343%0.4338%0.382SS..THydrogen-bonded Turntrans-61.2-10-177.167.4172.4-179.1173.10116.6Y42 D121Y42-K44 HydrophobicContact CD1-CB 4.38Å; Y42-K44 HydrophobicContact CE1-CB 4.04Å; K44-D121 VanDerWaalsContact CD-O 3.27Å; K44-D121 WeakPolarHBondContact CD-O 3.43Å; K44-D121 WeakPolarHBondContact CE-O 3.48Å; K44-D121 PolarHBondContact NZ-O 3.21Å
45R91.5Very high91.3Very high216 Ų21679.6 Ų79.682%0.81540%0.403SS*.THydrogen-bonded Turntrans-87.2-17.7172.7-66170.9168.8156.5-4.1113.3E43E43-R45 HydrophobicContact CG-CB 4.42Å; E43-R45 PolarHBondContact O-N 2.89Å; E43-R45 VanDerWaalsContact OE1-CB 3.28Å; E43-R45 WeakPolarHBondContact OE1-CB 3.48Å; E43-R45 WeakPolarHBondContact OE1-CG 3.43Å; E43-R45 PolarHBondContact OE1-N 3.33Å
46A92.1Very high91Very high52 Ų5283 Ų8343%0.4342%0.418SS..SBendtrans-76.9143.5171.400000109.9E43E43-A46 HydrophobicContact CG-CB 4.48Å; E43-A46 WeakPolarHBondContact O-CB 3.38Å; E43-A46 PolarHBondContact O-N 3.13Å
47R92.8Very high90.7Very high47 Ų4778.5 Ų78.518%0.17740%0.401CS..  trans-67.6137.7163.4-64.7-177.6-61.5132.411.6107.5V49 Q65 W124 F189 R193R47-V49 HydrophobicContact CB-CG2 4.49Å; R47-V49 PolarHBondContact O-N 2.87Å; R47-Q65 PolarHBondContact NH1-O 3.41Å; R47-Q65 PolarHBondContact NH2-O 2.95Å; R47-W124 HydrophobicContact CG-CZ2 4.13Å; R47-F189 HydrophobicContact CG-CE1 4.09Å; R47-F189 HydrophobicContact CG-CZ 3.87Å; R47-R193 PolarHBondContact NH1-O 2.82Å
48P92.7Very high90.3Very high2 Ų280.3 Ų80.31%0.01342%0.415CS..  trans-7975.3-178.230.9-33.9000111.1I67 D100 W124P48-I67 HydrophobicContact CG-CD1 3.8Å; P48-D100 HydrophobicContact CB-CB 3.99Å; P48-D100 VanDerWaalsContact CB-OD1 3.24Å; P48-D100 WeakPolarHBondContact CB-OD1 3.46Å; P48-D100 VanDerWaalsContact CB-OD2 3.27Å; P48-D100 WeakPolarHBondContact CB-OD2 3.3Å; P48-D100 HydrophobicContact CG-CB 4.11Å; P48-W124 VanDerWaalsContact CD-CD2 3.46Å; P48-W124 HydrophobicContact CG-CD2 4.26Å; P48-W124 HydrophobicContact CG-CE3 3.88Å; P48-W124 HydrophobicContact CG-CZ3 4.46Å
49V91.8Very high89.6Confident28 Ų2882.4 Ų82.417%0.1743%0.429CS..  trans-119.7139.6176.7-65.90000110.2R47 S54 Q65 I67R47-V49 HydrophobicContact CB-CG2 4.49Å; R47-V49 PolarHBondContact O-N 2.87Å; V49-S54 VanDerWaalsContact CA-OG 3.29Å; V49-S54 WeakPolarHBondContact CA-OG 3.43Å; V49-Q65 HydrophobicContact CB-CB 4Å; V49-Q65 HydrophobicContact CG1-CB 4.23Å; V49-Q65 HydrophobicContact CG2-CB 4.18Å; V49-I67 HydrophobicContact CG1-CB 4.34Å
50V89.8Confident89Confident31 Ų3184 Ų8419%0.18845%0.454CS..  trans-132.3129.7-173.5174.30000109.9G52 M53 S54V50-G52 PolarHBondContact O-N 3.1Å; V50-M53 HydrophobicContact CB-CB 4.24Å; V50-M53 HydrophobicContact CB-CG 4.41Å; V50-M53 HydrophobicContact CB-SD 4.35Å; V50-M53 HydrophobicContact CG1-CB 4.31Å; V50-M53 HydrophobicContact CG1-CE 3.96Å; V50-M53 HydrophobicContact CG1-CG 3.95Å; V50-M53 HydrophobicContact CG1-SD 3.85Å; V50-M53 PolarHBondContact O-N 3.26Å; V50-S54 PolarHBondContact N-OG 3.23Å; V50-S54 PolarHBondContact O-N 3.12Å
51D86.9Confident88.7Confident132 Ų13283.8 Ų83.871%0.70647%0.467SS*.THydrogen-bonded Turntrans-50.5124.8179.4-65.2-20.4000111.9M53 Q65D51-M53 PolarHBondContact O-N 3.33Å; D51-Q65 PolarHBondContact OD1-NE2 2.88Å
52G83.3Confident88.4Confident77 Ų7781.1 Ų81.179%0.79446%0.456SS*.THydrogen-bonded Turntrans74.4-4.8-179.600000116.3V50V50-G52 PolarHBondContact O-N 3.1Å
53M86.1Confident88.1Confident119 Ų11984 Ų8459%0.58648%0.477SS*.THydrogen-bonded Turntrans-107.1-39.9173.3-56.9-170.2-164.200112.7V50 D51 Y101V50-M53 HydrophobicContact CB-CB 4.24Å; V50-M53 HydrophobicContact CB-CG 4.41Å; V50-M53 HydrophobicContact CB-SD 4.35Å; V50-M53 HydrophobicContact CG1-CB 4.31Å; V50-M53 HydrophobicContact CG1-CE 3.96Å; V50-M53 HydrophobicContact CG1-CG 3.95Å; V50-M53 HydrophobicContact CG1-SD 3.85Å; V50-M53 PolarHBondContact O-N 3.26Å; D51-M53 PolarHBondContact O-N 3.33Å; M53-Y101 HydrophobicContact CB-CD1 3.79Å; M53-Y101 HydrophobicContact CB-CE1 3.92Å; M53-Y101 HydrophobicContact CB-CG 4.32Å; M53-Y101 PolarHBondContact O-OH 3.41Å; M53-Y101 HydrophobicContact SD-CD1 4.21Å
54S89Confident87.8Confident7 Ų780.2 Ų80.25%0.04946%0.461CS..SBendtrans-82.7145.1179.8-56.90000111.9V49 V50 E56 Y101V49-S54 VanDerWaalsContact CA-OG 3.29Å; V49-S54 WeakPolarHBondContact CA-OG 3.43Å; V50-S54 PolarHBondContact N-OG 3.23Å; V50-S54 PolarHBondContact O-N 3.12Å; S54-E56 PolarHBondContact O-N 2.71Å; S54-Y101 VanDerWaalsContact OG-CD2 3.28Å; S54-Y101 WeakPolarHBondContact OG-CD2 3.38Å; S54-Y101 WeakPolarHBondContact OG-CE2 3.28Å
55P88.8Confident87.8Confident70 Ų7076.9 Ų76.946%0.45545%0.447SS..PPolyproline II helixtrans-60.2129.2177.2-24.434.6000112.9Q65 Q66P55-Q65 CarbonylContact O-C 3.6Å; P55-Q65 WeakPolarHBondContact O-CA 3.37Å; P55-Q66 PolarHBondContact O-N 3.07Å
56E87.5Confident87.8Confident110 Ų11067.7 Ų67.751%0.51441%0.413SS..EExtended strand (participates in β ladder)trans-99.7137.2174.7-66.5-172.1-178.900111.6S54 Q65S54-E56 PolarHBondContact O-N 2.71Å; E56-Q65 HydrophobicContact CG-CG 3.77Å
57I86.7Confident87.9Confident58 Ų5865.5 Ų65.530%0.29740%0.395SS..EExtended strand (participates in β ladder)trans-125.3132.4177-63.3-174.3000110.1V59 T63 V64 Q66I57-V59 HydrophobicContact CG2-CG2 4.12Å; I57-T63 WeakPolarHBondContact O-CA 3.42Å; I57-V64 PolarHBondContact N-O 3.16Å; I57-V64 PolarHBondContact O-N 3.22Å; I57-Q66 HydrophobicContact CD1-CB 4.06Å; I57-Q66 VanDerWaalsContact CD1-CD 3.42Å; I57-Q66 HydrophobicContact CD1-CG 4.32Å; I57-Q66 HydrophobicContact CG1-CB 4.4Å
58T83.9Confident88Confident108 Ų10865.9 Ų65.966%0.66340%0.402SS*.EExtended strand (participates in β ladder)trans-83.7110.6171.3500000110.6T63T58-T63 HydrophobicContact CG2-CG2 3.79Å
59V80.7Confident88.1Confident70 Ų7065.8 Ų65.842%0.42440%0.402SS..EExtended strand (participates in β ladder)trans-108.6109.7169.8-177.30000108.4I57 N61 T62 A192I57-V59 HydrophobicContact CG2-CG2 4.12Å; V59-N61 PolarHBondContact O-N 2.75Å; V59-N61 VanDerWaalsContact O-N 3.12Å; V59-T62 PolarHBondContact N-O 3.35Å; V59-T62 PolarHBondContact O-N 2.97Å; V59-T62 PolarHBondContact O-OG1 3.02Å; V59-A192 HydrophobicContact CG2-CB 3.47Å; V59-A192 VanDerWaalsContact CG2-CB 3.47Å
60G82.3Confident88.4Confident72 Ų7265.1 Ų65.174%0.74240%0.399SS*.THydrogen-bonded Turntrans57.1-117-172.400000110.8
61N84.5Confident88.7Confident175 Ų17563.7 Ų63.794%0.93639%0.39SS*.THydrogen-bonded Turntrans-96.61-179.8-64-10.3000114.1V59V59-N61 PolarHBondContact O-N 2.75Å; V59-N61 VanDerWaalsContact O-N 3.12Å
62T84.3Confident89.1Confident86 Ų8657.4 Ų57.453%0.52836%0.356SS..EExtended strand (participates in β ladder)trans-114.3128.7-175.644.60000112V59V59-T62 PolarHBondContact N-O 3.35Å; V59-T62 PolarHBondContact O-N 2.97Å; V59-T62 PolarHBondContact O-OG1 3.02Å
63T88.2Confident89.7Confident97 Ų9753.8 Ų53.860%0.59532%0.319SS*.EExtended strand (participates in β ladder)trans-81134.7164.943.40000109.8I57 T58I57-T63 WeakPolarHBondContact O-CA 3.42Å; T58-T63 HydrophobicContact CG2-CG2 3.79Å
64V89.4Confident90.2Very high29 Ų2948.6 Ų48.618%0.17630%0.296CS..EExtended strand (participates in β ladder)trans-138131.6-179.6-177.20000108.9I57 R193I57-V64 PolarHBondContact N-O 3.16Å; I57-V64 PolarHBondContact O-N 3.22Å; V64-R193 HydrophobicContact CG1-CG 3.81Å
65Q91.9Very high90.5Very high29 Ų2948.3 Ų48.314%0.13629%0.294CS..EExtended strand (participates in β ladder)trans-74.1125.8171.8-71.9160.73.100110R47 V49 D51 P55 E56R47-Q65 PolarHBondContact NH1-O 3.41Å; R47-Q65 PolarHBondContact NH2-O 2.95Å; V49-Q65 HydrophobicContact CB-CB 4Å; V49-Q65 HydrophobicContact CG1-CB 4.23Å; V49-Q65 HydrophobicContact CG2-CB 4.18Å; D51-Q65 PolarHBondContact OD1-NE2 2.88Å; P55-Q65 CarbonylContact O-C 3.6Å; P55-Q65 WeakPolarHBondContact O-CA 3.37Å; E56-Q65 HydrophobicContact CG-CG 3.77Å
66Q92.3Very high90.9Very high22 Ų2246.5 Ų46.510%0.10328%0.28CS..PPolyproline II helixtrans-99.5134.2179-173.9-175.978.200110P55 I57 S191 A192 N195P55-Q66 PolarHBondContact O-N 3.07Å; I57-Q66 HydrophobicContact CD1-CB 4.06Å; I57-Q66 VanDerWaalsContact CD1-CD 3.42Å; I57-Q66 HydrophobicContact CD1-CG 4.32Å; I57-Q66 HydrophobicContact CG1-CB 4.4Å; Q66-S191 PolarHBondContact NE2-O 3.39Å; Q66-A192 WeakPolarHBondContact CA-O 3.34Å; Q66-A192 VanDerWaalsContact CB-O 3.28Å; Q66-A192 WeakPolarHBondContact CB-O 3.43Å; Q66-A192 WeakPolarHBondContact CG-O 3.47Å; Q66-N195 VanDerWaalsContact CD-CB 3.42Å; Q66-N195 HydrophobicContact CG-CB 3.94Å
67I94Very high91.2Very high7 Ų744.8 Ų44.84%0.03627%0.272CS..EExtended strand (participates in β ladder)trans-97136.9160.8-171.7167.8000109.3P48 V49 W98 W124 R193 V194 N195P48-I67 HydrophobicContact CG-CD1 3.8Å; V49-I67 HydrophobicContact CG1-CB 4.34Å; I67-W98 HydrophobicContact CD1-CB 4.49Å; I67-W124 HydrophobicContact CD1-CE3 4.46Å; I67-W124 HydrophobicContact CD1-CH2 4.08Å; I67-W124 HydrophobicContact CD1-CZ3 3.74Å; I67-W124 HydrophobicContact CG2-CH2 4.14Å; I67-R193 PolarHBondContact N-O 3.19Å; I67-R193 VanDerWaalsContact N-O 3.1Å; I67-V194 HydrophobicContact CG2-CB 4.35Å; I67-V194 HydrophobicContact CG2-CG1 4.42Å; I67-V194 HydrophobicContact CG2-CG2 3.75Å; I67-V194 WeakPolarHBondContact O-CA 3.35Å; I67-N195 PolarHBondContact O-N 3.18Å
68T94.1Very high91.7Very high55 Ų5542.1 Ų42.134%0.33726%0.259SS..EExtended strand (participates in β ladder)trans-103.3127.4173.4-65.10000109.4N195 T197T68-N195 WeakPolarHBondContact CA-O 3.38Å; T68-T197 HydrophobicContact CG2-CG2 3.67Å; T68-T197 WeakPolarHBondContact CG2-OG1 3.25Å
69V95.8Very high92.1Very high0 Ų040.7 Ų40.70%025%0.247CC..EExtended strand (participates in β ladder)trans-117.4112.2179.5-177.20000107.8F71 Y96 W98 P126 I128 V194 N195 I196 T197V69-F71 PolarHBondContact O-N 2.81Å; V69-Y96 HydrophobicContact CG1-CD1 4.39Å; V69-W98 HydrophobicContact CG2-CB 4.21Å; V69-P126 HydrophobicContact CG1-CB 4.14Å; V69-P126 HydrophobicContact CG1-CG 3.91Å; V69-P126 HydrophobicContact CG2-CB 3.96Å; V69-P126 HydrophobicContact CG2-CG 4.41Å; V69-I128 HydrophobicContact CB-CD1 4.48Å; V69-I128 HydrophobicContact CG1-CD1 3.84Å; V69-V194 HydrophobicContact CG2-CG1 4.08Å; V69-N195 PolarHBondContact N-O 3.42Å; V69-I196 WeakPolarHBondContact O-CA 3.33Å; V69-T197 PolarHBondContact O-N 2.96Å
70A96.3Very high92.7Very high14 Ų1442.6 Ų42.612%0.11625%0.251CS..EExtended strand (participates in β ladder)trans-78.7115.8172.500000108.8Y96 R97 T197A70-Y96 WeakPolarHBondContact O-CA 3.44Å; A70-R97 HydrophobicContact CB-CB 4.29Å; A70-R97 PolarHBondContact N-O 3.36Å; A70-R97 PolarHBondContact O-N 2.94Å; A70-T197 CarbonylContact C-O 3.58Å; A70-T197 WeakPolarHBondContact CA-O 3.25Å; A70-T197 WeakPolarHBondContact CA-OG1 3.5Å
71F96.4Very high93.2Very high0 Ų039.2 Ų39.20%022%0.216CC..EExtended strand (participates in β ladder)trans-117.1141.6-176.8-177.7-110000111.8V69 L73 L95 Y96 I128 F184 I196 T197 F198 Y199 F240V69-F71 PolarHBondContact O-N 2.81Å; F71-L73 HydrophobicContact CE1-CD2 4.23Å; F71-L73 HydrophobicContact CE1-CG 4.49Å; F71-L73 HydrophobicContact CZ-CD2 3.79Å; F71-L95 CarbonylContact C-O 3.45Å; F71-L95 VanDerWaalsContact CA-O 3.3Å; F71-L95 WeakPolarHBondContact CA-O 3.48Å; F71-L95 WeakPolarHBondContact CD2-O 3.31Å; F71-Y96 AromaticContact CD2-CD1 3.81Å; F71-Y96 HydrophobicContact CD2-CD1 3.81Å; F71-Y96 AromaticContact CD2-CE1 3.61Å; F71-Y96 HydrophobicContact CD2-CE1 3.61Å; F71-Y96 HydrophobicContact CD2-CE2 4.39Å; F71-Y96 HydrophobicContact CD2-CG 4.28Å; F71-Y96 AromaticContact CD2-CZ 3.9Å; F71-Y96 HydrophobicContact CE2-CD1 4.29Å; F71-Y96 AromaticContact CE2-CE1 3.7Å; F71-Y96 HydrophobicContact CE2-CE1 3.7Å; F71-Y96 AromaticContact CE2-CE2 3.99Å; F71-Y96 HydrophobicContact CE2-CE2 3.99Å; F71-Y96 AromaticContact CE2-CZ 3.51Å; F71-I128 HydrophobicContact CB-CD1 3.93Å; F71-I128 HydrophobicContact CD1-CG2 4.43Å; F71-I128 HydrophobicContact CD2-CD1 4.02Å; F71-I128 HydrophobicContact CD2-CG2 4.44Å; F71-I128 HydrophobicContact CE1-CG2 4.33Å; F71-I128 HydrophobicContact CE2-CG2 4.33Å; F71-I128 HydrophobicContact CG-CD1 4Å; F71-I128 HydrophobicContact CG-CG2 4.48Å; F71-I128 HydrophobicContact CZ-CG2 4.27Å; F71-F184 HydrophobicContact CD1-CB 4.23Å; F71-F184 HydrophobicContact CE1-CB 3.54Å; F71-F184 HydrophobicContact CE1-CD1 4.04Å; F71-F184 AromaticContact CE1-CD2 3.85Å; F71-F184 HydrophobicContact CE1-CD2 3.85Å; F71-F184 AromaticContact CE1-CG 3.54Å; F71-F184 HydrophobicContact CE1-CG 3.54Å; F71-F184 HydrophobicContact CZ-CB 4.2Å; F71-F184 AromaticContact CZ-CD1 3.85Å; F71-F184 HydrophobicContact CZ-CD1 3.85Å; F71-F184 HydrophobicContact CZ-CD2 4.23Å; F71-F184 HydrophobicContact CZ-CE1 4.26Å; F71-F184 AromaticContact CZ-CG 3.84Å; F71-F184 HydrophobicContact CZ-CG 3.84Å; F71-I196 HydrophobicContact CB-CG2 3.82Å; F71-T197 PolarHBondContact N-O 2.93Å; F71-F198 WeakPolarHBondContact O-CA 3.48Å; F71-Y199 PolarHBondContact O-N 2.83Å; F71-F240 AromaticContact CD1-CE2 3.96Å; F71-F240 HydrophobicContact CD1-CE2 3.96Å; F71-F240 HydrophobicContact CD1-CZ 4.05Å; F71-F240 AromaticContact CE1-CE2 3.71Å; F71-F240 HydrophobicContact CE1-CE2 3.71Å; F71-F240 HydrophobicContact CE1-CZ 4.12Å
72G96.1Very high93.5Very high0 Ų032.5 Ų32.50%018%0.18CC..EExtended strand (participates in β ladder)trans-156.1175.5175.800000112.8L95 G202G72-L95 PolarHBondContact N-O 1.79Å; G72-L95 PolarHBondContact O-N 3.47Å; G72-G202 CarbonylContact C-O 3.58Å; G72-G202 WeakPolarHBondContact CA-O 3.46Å
73L96Very high93.7Very high1 Ų129.4 Ų29.41%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-130.2136.9176.9-60.3177.1000109.8F71 V92 F184 G202 F203 S204 F240F71-L73 HydrophobicContact CE1-CD2 4.23Å; F71-L73 HydrophobicContact CE1-CG 4.49Å; F71-L73 HydrophobicContact CZ-CD2 3.79Å; L73-V92 HydrophobicContact CD2-CG2 4.28Å; L73-F184 HydrophobicContact CD1-CD2 4.27Å; L73-F184 HydrophobicContact CD1-CE2 3.74Å; L73-F184 HydrophobicContact CD2-CE2 4.15Å; L73-F184 HydrophobicContact CD2-CZ 4.35Å; L73-F184 HydrophobicContact CG-CE2 4.47Å; L73-G202 PolarHBondContact N-O 3.3Å; L73-F203 HydrophobicContact CB-CD2 4.15Å; L73-F203 HydrophobicContact CB-CE2 4.18Å; L73-F203 WeakPolarHBondContact O-CD2 3.19Å; L73-S204 PolarHBondContact O-N 3.49Å; L73-F240 HydrophobicContact CB-CD1 4.46Å; L73-F240 HydrophobicContact CB-CE1 4.49Å; L73-F240 HydrophobicContact CD1-CB 3.91Å; L73-F240 HydrophobicContact CD1-CD1 4Å; L73-F240 HydrophobicContact CD1-CD2 3.59Å; L73-F240 HydrophobicContact CD1-CE1 4.44Å; L73-F240 HydrophobicContact CD1-CE2 4.07Å; L73-F240 HydrophobicContact CD1-CG 3.54Å; L73-F240 HydrophobicContact CD1-CZ 4.47Å; L73-F240 HydrophobicContact CG-CD1 4.25Å; L73-F240 HydrophobicContact CG-CD2 4.16Å; L73-F240 HydrophobicContact CG-CE1 4.24Å; L73-F240 HydrophobicContact CG-CE2 4.14Å; L73-F240 HydrophobicContact CG-CG 4.21Å; L73-F240 HydrophobicContact CG-CZ 4.18Å
74G95.6Very high93.5Very high11 Ų1127.7 Ų27.711%0.11315%0.146CC..EExtended strand (participates in β ladder)trans-103.1114.9159.600000109.6I76 V92 R93 S204G74-I76 PolarHBondContact O-N 3.1Å; G74-V92 CarbonylContact O-C 3.51Å; G74-V92 WeakPolarHBondContact O-CA 3.46Å; G74-V92 VanDerWaalsContact O-CB 3.31Å; G74-V92 WeakPolarHBondContact O-CB 3.37Å; G74-R93 PolarHBondContact N-O 3.41Å; G74-R93 PolarHBondContact O-N 3.43Å; G74-S204 CarbonylContact C-O 3.59Å; G74-S204 VanDerWaalsContact CA-O 3.31Å; G74-S204 WeakPolarHBondContact CA-O 3.44Å
75L96.2Very high93.4Very high1 Ų132.5 Ų32.51%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-74.9122.5174.6-176.663.9000109.5I78 V90 V92 F203 S204 M205 Y208 I242L75-I78 HydrophobicContact CD2-CG1 4.26Å; L75-V90 HydrophobicContact CD1-CB 3.95Å; L75-V90 HydrophobicContact CD1-CG1 3.91Å; L75-V92 HydrophobicContact CD1-CG1 3.92Å; L75-F203 HydrophobicContact CB-CE2 4.01Å; L75-S204 PolarHBondContact N-O 3.31Å; L75-M205 HydrophobicContact CB-SD 3.79Å; L75-M205 HydrophobicContact CD2-CE 4.06Å; L75-M205 HydrophobicContact CD2-SD 3.81Å; L75-M205 HydrophobicContact CG-SD 4.37Å; L75-Y208 HydrophobicContact CB-CD2 4.49Å; L75-Y208 HydrophobicContact CD2-CD2 3.79Å; L75-Y208 HydrophobicContact CD2-CE2 3.79Å; L75-Y208 HydrophobicContact CG-CD2 3.81Å; L75-Y208 HydrophobicContact CG-CE2 4.14Å; L75-Y208 WeakPolarHBondContact O-CA 3.35Å; L75-Y208 PolarHBondContact O-N 3Å; L75-I242 HydrophobicContact CD2-CD1 4.17Å
76I95.8Very high93.4Very high32 Ų3233.5 Ų33.516%0.16417%0.172CC..EExtended strand (participates in β ladder)trans-94.9-51177-55.9172000109.1G74 S91 R93 M159 Y208 V209G74-I76 PolarHBondContact O-N 3.1Å; I76-S91 WeakPolarHBondContact CB-O 3.38Å; I76-S91 PolarHBondContact N-O 3.12Å; I76-R93 HydrophobicContact CD1-CB 4.41Å; I76-M159 HydrophobicContact CD1-CG 4.46Å; I76-Y208 WeakPolarHBondContact O-CA 3.46Å; I76-V209 PolarHBondContact O-N 3.29Å
77Q95.4Very high93.4Very high74 Ų7433.4 Ų33.435%0.34617%0.172SC..EExtended strand (participates in β ladder)trans-156.2142.4-180-162.4-173.6-19.300111.8S91Q77-S91 PolarHBondContact N-O 3.19Å; Q77-S91 VanDerWaalsContact N-O 3.1Å; Q77-S91 PolarHBondContact O-N 3.24Å
78I96Very high93.4Very high2 Ų233.2 Ų33.21%0.0117%0.171CC..EExtended strand (participates in β ladder)trans-80.4113.5160.8-62.7164.4000107.1L75 L88 V90 Y208 W214 V216 I244L75-I78 HydrophobicContact CD2-CG1 4.26Å; I78-L88 HydrophobicContact CG2-CD1 4.08Å; I78-V90 HydrophobicContact CG1-CG1 4.25Å; I78-Y208 HydrophobicContact CG1-CE2 4.47Å; I78-W214 HydrophobicContact CD1-CB 4.43Å; I78-V216 HydrophobicContact CD1-CG2 3.79Å; I78-I244 HydrophobicContact CD1-CG2 3.83Å
79L93.5Very high93.5Very high78 Ų7831.6 Ų31.641%0.40816%0.161SC..EExtended strand (participates in β ladder)trans-80.7-50.4-176.7-66.2174.6000110.9T89 I161L79-T89 HydrophobicContact CB-CG2 4.26Å; L79-T89 HydrophobicContact CD1-CG2 4.13Å; L79-T89 PolarHBondContact N-O 3.05Å; L79-I161 HydrophobicContact CD1-CD1 4.4Å; L79-I161 HydrophobicContact CD1-CG1 4.48Å; L79-I161 HydrophobicContact CD1-CG2 4.06Å
80Q92.9Very high93.5Very high110 Ų11031.6 Ų31.651%0.51416%0.161SC..EExtended strand (participates in β ladder)trans-162.5144.2175.1-169.9176.9-5.100110.3T89Q80-T89 PolarHBondContact N-O 3.34Å; Q80-T89 PolarHBondContact O-N 3.44Å
81L92.9Very high93.4Very high1 Ų132.1 Ų32.11%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-98.6119153.3178.967.7000106.7E83 L88 C166 V168 Q178 W214 I244L81-E83 HydrophobicContact CD2-CG 4.21Å; L81-E83 HydrophobicContact CG-CG 4.36Å; L81-L88 HydrophobicContact CB-CD1 4.39Å; L81-L88 HydrophobicContact CD1-CB 3.95Å; L81-L88 HydrophobicContact CD1-CD1 4.33Å; L81-C166 HydrophobicContact CD1-CB 4.33Å; L81-V168 HydrophobicContact CD1-CG2 4.18Å; L81-V168 HydrophobicContact CD2-CG2 4.07Å; L81-V168 HydrophobicContact CG-CG2 4.35Å; L81-Q178 HydrophobicContact CD2-CG 4.14Å; L81-W214 HydrophobicContact CB-CZ2 4.08Å; L81-W214 HydrophobicContact CD2-CH2 3.77Å; L81-W214 HydrophobicContact CD2-CZ2 3.73Å; L81-W214 HydrophobicContact CG-CZ2 4.49Å; L81-I244 HydrophobicContact CD2-CD1 4.49Å
82N90.8Very high93.4Very high33 Ų3332.2 Ų32.218%0.17616%0.164CC..EExtended strand (participates in β ladder)trans-90.2102168.7-174.8-8.3000107.8N84 E85 Q86 I87N82-N84 VanDerWaalsContact C-N 3.25Å; N82-N84 PolarHBondContact O-N 3.26Å; N82-N84 WeakPolarHBondContact OD1-CB 3.2Å; N82-N84 PolarHBondContact OD1-N 2.84Å; N82-E85 HydrophobicContact CB-CB 4.43Å; N82-E85 VanDerWaalsContact ND2-CG 3.28Å; N82-E85 WeakPolarHBondContact ND2-CG 3.44Å; N82-E85 PolarHBondContact ND2-OE2 2.9Å; N82-E85 PolarHBondContact OD1-N 3.37Å; N82-Q86 VanDerWaalsContact O-CA 3.31Å; N82-Q86 WeakPolarHBondContact O-CA 3.44Å; N82-Q86 PolarHBondContact O-N 3.47Å; N82-I87 PolarHBondContact N-O 2.88Å; N82-I87 PolarHBondContact O-N 3.49Å
83E88Confident93.3Very high21 Ų2136.1 Ų36.110%0.09818%0.179CC..THydrogen-bonded Turntrans-67.7-28.6178.8-56.989.816000112.3L81 Q86 V168 R246 P302L81-E83 HydrophobicContact CD2-CG 4.21Å; L81-E83 HydrophobicContact CG-CG 4.36Å; E83-Q86 PolarHBondContact O-N 2.99Å; E83-V168 HydrophobicContact CB-CG1 4.24Å; E83-V168 HydrophobicContact CB-CG2 4.49Å; E83-V168 HydrophobicContact CG-CG1 3.88Å; E83-V168 HydrophobicContact CG-CG2 4.42Å; E83-R246 IonicContact OE1-CZ 3.56Å; E83-R246 IonicContact OE1-NH1 3.03Å; E83-R246 PolarHBondContact OE1-NH1 2.9Å; E83-R246 IonicContact OE1-NH2 2.98Å; E83-R246 PolarHBondContact OE1-NH2 3.09Å; E83-P302 HydrophobicContact CB-CG 4.46Å; E83-P302 WeakPolarHBondContact O-CB 3.31Å; E83-P302 VanDerWaalsContact O-CG 3.28Å; E83-P302 WeakPolarHBondContact O-CG 3.28Å
84N84.3Confident93.3Very high61 Ų6136.1 Ų36.133%0.32618%0.179SC..THydrogen-bonded Turntrans-70.7-40.7-176.4-62.6-8.8000111.4N82 N299 I301N82-N84 VanDerWaalsContact C-N 3.25Å; N82-N84 PolarHBondContact O-N 3.26Å; N82-N84 WeakPolarHBondContact OD1-CB 3.2Å; N82-N84 PolarHBondContact OD1-N 2.84Å; N84-N299 PolarHBondContact ND2-O 3.15Å; N84-I301 VanDerWaalsContact OD1-C 3.3Å; N84-I301 PolarHBondContact OD1-N 2.77Å; N84-I301 PolarHBondContact OD1-O 3.15Å
85E87.3Confident93.3Very high130 Ų13036.7 Ų36.761%0.60718%0.179SC*.THydrogen-bonded Turntrans-92.3-9.6175.6-65.4174.6161.800113.6N82 I87N82-E85 HydrophobicContact CB-CB 4.43Å; N82-E85 VanDerWaalsContact ND2-CG 3.28Å; N82-E85 WeakPolarHBondContact ND2-CG 3.44Å; N82-E85 PolarHBondContact ND2-OE2 2.9Å; N82-E85 PolarHBondContact OD1-N 3.37Å; E85-I87 HydrophobicContact CB-CD1 3.86Å; E85-I87 HydrophobicContact CB-CG1 3.92Å
86Q90.9Very high93.3Very high50 Ų5036.6 Ų36.623%0.23418%0.179CC..THydrogen-bonded Turntrans59.641.8-173-58.6-173.96.600113.7N82 E83 C166 P302N82-Q86 VanDerWaalsContact O-CA 3.31Å; N82-Q86 WeakPolarHBondContact O-CA 3.44Å; N82-Q86 PolarHBondContact O-N 3.47Å; E83-Q86 PolarHBondContact O-N 2.99Å; Q86-C166 WeakPolarHBondContact CB-O 3.41Å; Q86-C166 PolarHBondContact O-N 3.27Å; Q86-P302 HydrophobicContact CG-CB 4.36Å
87I93.1Very high93.3Very high21 Ų2138.4 Ų38.411%0.10818%0.184CC..EExtended strand (participates in β ladder)trans-117.1121.6-177.9-57.2176.9000110.8N82 E85 A134 K163N82-I87 PolarHBondContact N-O 2.88Å; N82-I87 PolarHBondContact O-N 3.49Å; E85-I87 HydrophobicContact CB-CD1 3.86Å; E85-I87 HydrophobicContact CB-CG1 3.92Å; I87-A134 HydrophobicContact CB-CB 4.46Å; I87-A134 HydrophobicContact CD1-CB 3.74Å; I87-A134 HydrophobicContact CG1-CB 3.76Å; I87-A134 HydrophobicContact CG2-CB 3.94Å; I87-K163 HydrophobicContact CG2-CB 3.92Å; I87-K163 HydrophobicContact CG2-CD 4.27Å; I87-K163 HydrophobicContact CG2-CG 4.1Å
88L95Very high93.3Very high2 Ų235.1 Ų35.11%0.0117%0.168CC..EExtended strand (participates in β ladder)trans-88.7127.4165.917566.4000109.7I78 L81 V90 K163 S164 C166 C180 I242I78-L88 HydrophobicContact CG2-CD1 4.08Å; L81-L88 HydrophobicContact CB-CD1 4.39Å; L81-L88 HydrophobicContact CD1-CB 3.95Å; L81-L88 HydrophobicContact CD1-CD1 4.33Å; L88-V90 HydrophobicContact CD1-CG1 4.1Å; L88-V90 HydrophobicContact CD2-CG1 4Å; L88-V90 HydrophobicContact CG-CG1 3.95Å; L88-K163 WeakPolarHBondContact O-CA 3.47Å; L88-S164 PolarHBondContact N-O 3.48Å; L88-S164 PolarHBondContact O-N 3.11Å; L88-S164 PolarHBondContact O-OG 2.7Å; L88-C166 HydrophobicContact CB-CB 4.09Å; L88-C180 HydrophobicContact CD2-CB 3.49Å; L88-C180 VanDerWaalsContact CD2-CB 3.49Å; L88-I242 HydrophobicContact CD2-CD1 4.49Å
89T95Very high93.3Very high22 Ų2237.3 Ų37.314%0.13518%0.182CC..EExtended strand (participates in β ladder)trans-111.4118.5173.5-49.30000110.1L79 Q80 I161 Y162 K163L79-T89 HydrophobicContact CB-CG2 4.26Å; L79-T89 HydrophobicContact CD1-CG2 4.13Å; L79-T89 PolarHBondContact N-O 3.05Å; Q80-T89 PolarHBondContact N-O 3.34Å; Q80-T89 PolarHBondContact O-N 3.44Å; T89-I161 HydrophobicContact CG2-CG2 3.88Å; T89-Y162 WeakPolarHBondContact CA-O 3.47Å; T89-K163 HydrophobicContact CG2-CG 4Å
90V95.4Very high93.4Very high0 Ų033.6 Ų33.60%016%0.162CC..EExtended strand (participates in β ladder)trans-125.1141.6-179.2-74.20000112.1L75 I78 L88 V92 I161 Y162 L182 I242L75-V90 HydrophobicContact CD1-CB 3.95Å; L75-V90 HydrophobicContact CD1-CG1 3.91Å; I78-V90 HydrophobicContact CG1-CG1 4.25Å; L88-V90 HydrophobicContact CD1-CG1 4.1Å; L88-V90 HydrophobicContact CD2-CG1 4Å; L88-V90 HydrophobicContact CG-CG1 3.95Å; V90-V92 HydrophobicContact CB-CG1 4.17Å; V90-V92 HydrophobicContact CG2-CG1 4Å; V90-I161 WeakPolarHBondContact O-CA 3.48Å; V90-Y162 PolarHBondContact N-O 2.9Å; V90-Y162 PolarHBondContact O-N 3.1Å; V90-L182 HydrophobicContact CG2-CD1 4.38Å; V90-L182 HydrophobicContact CG2-CD2 3.84Å; V90-I242 HydrophobicContact CG1-CD1 4.46Å
91S95.2Very high93.4Very high25 Ų2531.8 Ų31.818%0.17515%0.151CC..EExtended strand (participates in β ladder)trans-95.4125.1165.5-174.80000109.3I76 Q77 A160I76-S91 WeakPolarHBondContact CB-O 3.38Å; I76-S91 PolarHBondContact N-O 3.12Å; Q77-S91 PolarHBondContact N-O 3.19Å; Q77-S91 VanDerWaalsContact N-O 3.1Å; Q77-S91 PolarHBondContact O-N 3.24Å; S91-A160 WeakPolarHBondContact CA-O 3.4Å
92V95.6Very high93.4Very high2 Ų236.2 Ų36.21%0.01217%0.172CC..EExtended strand (participates in β ladder)trans-137.7163.8-176.8-51.90000111.4L73 G74 L75 V90 M159 A160 Y162L73-V92 HydrophobicContact CD2-CG2 4.28Å; G74-V92 CarbonylContact O-C 3.51Å; G74-V92 WeakPolarHBondContact O-CA 3.46Å; G74-V92 VanDerWaalsContact O-CB 3.31Å; G74-V92 WeakPolarHBondContact O-CB 3.37Å; L75-V92 HydrophobicContact CD1-CG1 3.92Å; V90-V92 HydrophobicContact CB-CG1 4.17Å; V90-V92 HydrophobicContact CG2-CG1 4Å; V92-M159 CarbonylContact O-C 3.54Å; V92-M159 WeakPolarHBondContact O-CA 3.38Å; V92-A160 HydrophobicContact CG2-CB 4.03Å; V92-A160 PolarHBondContact N-O 2.99Å; V92-A160 PolarHBondContact O-N 2.93Å; V92-Y162 HydrophobicContact CG2-CD2 3.44Å; V92-Y162 VanDerWaalsContact CG2-CD2 3.44Å; V92-Y162 HydrophobicContact CG2-CE2 3.39Å
93R95.5Very high93.6Very high82 Ų8234.7 Ų34.731%0.30916%0.163SC..EExtended strand (participates in β ladder)trans-100.3117.3156.6-171.3-178.7-65.3130.211107.6G74 I76 L95 H157 P158 D207G74-R93 PolarHBondContact N-O 3.41Å; G74-R93 PolarHBondContact O-N 3.43Å; I76-R93 HydrophobicContact CD1-CB 4.41Å; R93-L95 HydrophobicContact CG-CD2 3.97Å; R93-H157 HydrophobicContact CG-CB 4.28Å; R93-P158 WeakPolarHBondContact CA-O 3.17Å; R93-D207 IonicContact CZ-OD2 3.93Å; R93-D207 IonicContact NH1-OD2 3.59Å; R93-D207 PolarHBondContact NH1-OD2 2.91Å; R93-D207 IonicContact NH2-OD2 3.18Å; R93-D207 PolarHBondContact NH2-OD2 2.69Å
94S94.7Very high93.9Very high0 Ų037.1 Ų37.10%018%0.18CC..EExtended strand (participates in β ladder)trans-77.2134.2169.2-72.10000108.7H157 P158 Y162S94-H157 CarbonylContact O-C 3.51Å; S94-H157 WeakPolarHBondContact O-CA 3.08Å; S94-P158 PolarHBondContact N-O 3.1Å; S94-P158 WeakPolarHBondContact O-CD 3.41Å; S94-Y162 WeakPolarHBondContact OG-CE2 3.49Å; S94-Y162 PolarHBondContact OG-OH 3.18Å
95L95.4Very high94.4Very high23 Ų2335 Ų3512%0.1217%0.167CC..EExtended strand (participates in β ladder)trans-110.8122.1-176.8-57.7175.6000109.5F71 G72 R93 H157 Y199F71-L95 CarbonylContact C-O 3.45Å; F71-L95 VanDerWaalsContact CA-O 3.3Å; F71-L95 WeakPolarHBondContact CA-O 3.48Å; F71-L95 WeakPolarHBondContact CD2-O 3.31Å; G72-L95 PolarHBondContact N-O 1.79Å; G72-L95 PolarHBondContact O-N 3.47Å; R93-L95 HydrophobicContact CG-CD2 3.97Å; L95-H157 HydrophobicContact CD2-CB 4.37Å; L95-Y199 HydrophobicContact CB-CD1 4.12Å; L95-Y199 HydrophobicContact CB-CD2 3.76Å; L95-Y199 HydrophobicContact CB-CE1 4.43Å; L95-Y199 HydrophobicContact CB-CE2 4.06Å; L95-Y199 HydrophobicContact CB-CG 3.8Å; L95-Y199 HydrophobicContact CD1-CD1 3.93Å; L95-Y199 HydrophobicContact CD1-CE1 4.11Å; L95-Y199 HydrophobicContact CD1-CG 4.42Å
96Y96Very high94.8Very high0 Ų031.6 Ų31.60%015%0.153CC..EExtended strand (participates in β ladder)trans-127.3130.2177.4-60.2-99.6000110V69 A70 F71 P126 I128 R141 E155 W156 P158V69-Y96 HydrophobicContact CG1-CD1 4.39Å; A70-Y96 WeakPolarHBondContact O-CA 3.44Å; F71-Y96 AromaticContact CD2-CD1 3.81Å; F71-Y96 HydrophobicContact CD2-CD1 3.81Å; F71-Y96 AromaticContact CD2-CE1 3.61Å; F71-Y96 HydrophobicContact CD2-CE1 3.61Å; F71-Y96 HydrophobicContact CD2-CE2 4.39Å; F71-Y96 HydrophobicContact CD2-CG 4.28Å; F71-Y96 AromaticContact CD2-CZ 3.9Å; F71-Y96 HydrophobicContact CE2-CD1 4.29Å; F71-Y96 AromaticContact CE2-CE1 3.7Å; F71-Y96 HydrophobicContact CE2-CE1 3.7Å; F71-Y96 AromaticContact CE2-CE2 3.99Å; F71-Y96 HydrophobicContact CE2-CE2 3.99Å; F71-Y96 AromaticContact CE2-CZ 3.51Å; Y96-P126 HydrophobicContact CD1-CG 3.86Å; Y96-P126 HydrophobicContact CE1-CG 4.23Å; Y96-I128 HydrophobicContact CD1-CD1 4.2Å; Y96-I128 HydrophobicContact CE1-CB 4.05Å; Y96-I128 HydrophobicContact CE1-CD1 3.91Å; Y96-I128 HydrophobicContact CE1-CG1 4.28Å; Y96-R141 PolarHBondContact OH-NH1 2.91Å; Y96-E155 WeakPolarHBondContact O-CA 3.39Å; Y96-W156 WeakPolarHBondContact CB-O 3.47Å; Y96-W156 HydrophobicContact CD2-CD2 4.32Å; Y96-W156 AromaticContact CD2-CE3 3.66Å; Y96-W156 HydrophobicContact CD2-CE3 3.66Å; Y96-W156 HydrophobicContact CD2-CZ3 4.25Å; Y96-W156 WeakPolarHBondContact CD2-O 3.33Å; Y96-W156 AromaticContact CE2-CE3 3.84Å; Y96-W156 HydrophobicContact CE2-CE3 3.84Å; Y96-W156 AromaticContact CE2-CZ3 3.96Å; Y96-W156 HydrophobicContact CE2-CZ3 3.96Å; Y96-W156 HydrophobicContact CG-CE3 4.03Å; Y96-W156 PolarHBondContact N-O 3.32Å; Y96-W156 PolarHBondContact O-N 3.46Å; Y96-P158 HydrophobicContact CD2-CG 4.4Å; Y96-P158 HydrophobicContact CE2-CG 4.04Å
97R97Very high95Very high70 Ų7030.2 Ų30.226%0.26415%0.148SC..EExtended strand (participates in β ladder)trans-133.7125.6167.8-179.9-170.7-65.1139-4.9109.7A70 V153 V154 E155 Y199 D200A70-R97 HydrophobicContact CB-CB 4.29Å; A70-R97 PolarHBondContact N-O 3.36Å; A70-R97 PolarHBondContact O-N 2.94Å; R97-V153 HydrophobicContact CG-CG1 4.13Å; R97-V154 VanDerWaalsContact CA-O 3.3Å; R97-V154 WeakPolarHBondContact CA-O 3.42Å; R97-E155 HydrophobicContact CB-CG 4.34Å; R97-E155 HydrophobicContact CG-CG 4.15Å; R97-E155 IonicContact CZ-OE1 3.82Å; R97-E155 IonicContact NE-OE1 3.96Å; R97-E155 PolarHBondContact NE-OE1 3.21Å; R97-E155 IonicContact NH2-OE1 3.71Å; R97-E155 PolarHBondContact NH2-OE1 2.83Å; R97-Y199 HydrophobicContact CB-CD2 3.81Å; R97-Y199 HydrophobicContact CB-CE2 3.71Å; R97-Y199 VanDerWaalsContact NH2-CZ 3.25Å; R97-Y199 PolarHBondContact NH2-OH 3.44Å; R97-D200 IonicContact CZ-OD1 3.32Å; R97-D200 IonicContact NH1-OD1 3.85Å; R97-D200 PolarHBondContact NH1-OD1 3.1Å; R97-D200 IonicContact NH2-OD1 2.69Å
98W96Very high94.9Very high4 Ų436.7 Ų36.72%0.01518%0.178CC..EExtended strand (participates in β ladder)trans-141.2173.9172.369.696.3000110.8I67 V69 I123 W124 L125 P126 V146 V154 W156I67-W98 HydrophobicContact CD1-CB 4.49Å; V69-W98 HydrophobicContact CG2-CB 4.21Å; W98-I123 HydrophobicContact CZ2-CD1 4.39Å; W98-W124 WeakPolarHBondContact CZ2-O 3.38Å; W98-W124 AromaticContact NE1-CE3 3.89Å; W98-L125 HydrophobicContact CH2-CD2 3.65Å; W98-L125 HydrophobicContact CZ2-CD2 3.99Å; W98-P126 HydrophobicContact CE3-CG 4.29Å; W98-P126 HydrophobicContact CZ3-CG 4.31Å; W98-V146 HydrophobicContact CH2-CG1 4.42Å; W98-V154 HydrophobicContact CD2-CB 3.94Å; W98-V154 HydrophobicContact CD2-CG1 4.12Å; W98-V154 HydrophobicContact CE3-CB 4.42Å; W98-V154 HydrophobicContact CE3-CG1 4.35Å; W98-V154 HydrophobicContact CG-CB 4.31Å; W98-V154 HydrophobicContact CH2-CG1 3.65Å; W98-V154 HydrophobicContact CZ2-CB 4.06Å; W98-V154 HydrophobicContact CZ2-CG1 3.37Å; W98-V154 HydrophobicContact CZ3-CG1 4.13Å; W98-V154 PolarHBondContact N-O 2.85Å; W98-V154 PolarHBondContact O-N 3Å; W98-W156 HydrophobicContact CH2-CB 4.1Å; W98-W156 HydrophobicContact CZ3-CB 3.93Å
99T95.5Very high94.8Very high48 Ų4843 Ų4329%0.29421%0.208SC..EExtended strand (participates in β ladder)trans-110.7131.4172.1-53.50000109.4Y101 G152T99-Y101 HydrophobicContact CG2-CD1 4.44Å; T99-Y101 HydrophobicContact CG2-CE1 4.2Å; T99-Y101 HydrophobicContact CG2-CE2 4.32Å; T99-G152 CarbonylContact C-O 3.58Å; T99-G152 VanDerWaalsContact CA-O 3.32Å; T99-G152 WeakPolarHBondContact CA-O 3.43Å
100D95.5Very high94.7Very high0 Ų044.3 Ų44.30%021%0.21CC..EExtended strand (participates in β ladder)trans-115.3108.2172.4-173.4-37000109Y42 P48 H102 L103 G152 V154Y42-D100 WeakPolarHBondContact CE2-OD2 3.18Å; Y42-D100 PolarHBondContact OH-OD2 3.04Å; P48-D100 HydrophobicContact CB-CB 3.99Å; P48-D100 VanDerWaalsContact CB-OD1 3.24Å; P48-D100 WeakPolarHBondContact CB-OD1 3.46Å; P48-D100 VanDerWaalsContact CB-OD2 3.27Å; P48-D100 WeakPolarHBondContact CB-OD2 3.3Å; P48-D100 HydrophobicContact CG-CB 4.11Å; D100-H102 PolarHBondContact O-N 3.03Å; D100-H102 WeakPolarHBondContact OD1-CA 3.29Å; D100-H102 WeakPolarHBondContact OD1-CB 3.48Å; D100-H102 IonicContact OD1-CD2 3.59Å; D100-H102 PolarHBondContact OD1-N 3.49Å; D100-L103 HydrophobicContact CB-CB 4.23Å; D100-L103 HydrophobicContact CB-CD1 4.06Å; D100-L103 HydrophobicContact CB-CG 4.19Å; D100-L103 PolarHBondContact O-N 3.42Å; D100-L103 PolarHBondContact OD1-N 2.99Å; D100-L103 WeakPolarHBondContact OD2-CD1 3.27Å; D100-G152 PolarHBondContact N-O 3.26Å; D100-G152 WeakPolarHBondContact O-CA 3.31Å; D100-V154 HydrophobicContact CB-CG2 3.74Å
101Y92.7Very high94.4Very high72 Ų7250.9 Ų50.928%0.28224%0.241SC..EExtended strand (participates in β ladder)trans-72.6-8.9-176.1-62.7-85.6000113.9M53 S54 T99M53-Y101 HydrophobicContact CB-CD1 3.79Å; M53-Y101 HydrophobicContact CB-CE1 3.92Å; M53-Y101 HydrophobicContact CB-CG 4.32Å; M53-Y101 PolarHBondContact O-OH 3.41Å; M53-Y101 HydrophobicContact SD-CD1 4.21Å; S54-Y101 VanDerWaalsContact OG-CD2 3.28Å; S54-Y101 WeakPolarHBondContact OG-CD2 3.38Å; S54-Y101 WeakPolarHBondContact OG-CE2 3.28Å; T99-Y101 HydrophobicContact CG2-CD1 4.44Å; T99-Y101 HydrophobicContact CG2-CE1 4.2Å; T99-Y101 HydrophobicContact CG2-CE2 4.32Å
102H92.5Very high94.3Very high95 Ų9555 Ų5544%0.4426%0.261SS..EExtended strand (participates in β ladder)trans-91.1-16.3173.1-58.2-79.3000112.7Y42 D100 V104Y42-H102 HydrophobicContact CD2-CB 3.91Å; Y42-H102 HydrophobicContact CE2-CB 3.98Å; D100-H102 PolarHBondContact O-N 3.03Å; D100-H102 WeakPolarHBondContact OD1-CA 3.29Å; D100-H102 WeakPolarHBondContact OD1-CB 3.48Å; D100-H102 IonicContact OD1-CD2 3.59Å; D100-H102 PolarHBondContact OD1-N 3.49Å; H102-V104 PolarHBondContact O-N 3.23Å
103L94.6Very high94.2Very high0 Ų056.5 Ų56.50%027%0.269CS..EExtended strand (participates in β ladder)trans-100.440.8-178.3-59.7178.6000112.6L38 L39 Y42 D100 W105 I123 V148 G152L38-L103 HydrophobicContact CB-CD2 4.34Å; L39-L103 HydrophobicContact CD2-CD2 4.3Å; Y42-L103 HydrophobicContact CD2-CD2 3.84Å; Y42-L103 HydrophobicContact CD2-CG 4.32Å; Y42-L103 HydrophobicContact CE2-CD1 4.15Å; Y42-L103 HydrophobicContact CE2-CD2 3.79Å; Y42-L103 HydrophobicContact CE2-CG 3.79Å; D100-L103 HydrophobicContact CB-CB 4.23Å; D100-L103 HydrophobicContact CB-CD1 4.06Å; D100-L103 HydrophobicContact CB-CG 4.19Å; D100-L103 PolarHBondContact O-N 3.42Å; D100-L103 PolarHBondContact OD1-N 2.99Å; D100-L103 WeakPolarHBondContact OD2-CD1 3.27Å; L103-W105 WeakPolarHBondContact O-CZ3 3.29Å; L103-I123 HydrophobicContact CD1-CB 4.43Å; L103-I123 HydrophobicContact CD1-CG2 3.91Å; L103-V148 HydrophobicContact CB-CG1 3.97Å; L103-V148 HydrophobicContact CD1-CG2 4.3Å; L103-G152 WeakPolarHBondContact O-CA 3.46Å
104V94.5Very high94.1Very high72 Ų7256 Ų5644%0.43628%0.275SS..EExtended strand (participates in β ladder)trans-107.6137.3-178.1-178.50000110H102H102-V104 PolarHBondContact O-N 3.23Å
105W94.8Very high94.2Very high17 Ų1759.6 Ų59.66%0.06429%0.292CS..  trans-145.8162.4173.569.497000112.5L34 L38 L103 P107 Y110 I113 I116 V148 H150L34-W105 HydrophobicContact CD1-CB 3.76Å; L34-W105 HydrophobicContact CD1-CD2 3.79Å; L34-W105 HydrophobicContact CD1-CE3 4.33Å; L34-W105 HydrophobicContact CD1-CG 3.51Å; L34-W105 HydrophobicContact CD2-CD2 4.05Å; L34-W105 HydrophobicContact CD2-CG 4.28Å; L34-W105 HydrophobicContact CD2-CZ2 4.04Å; L34-W105 HydrophobicContact CG-CD2 4.44Å; L38-W105 HydrophobicContact CD1-CD2 4.48Å; L38-W105 HydrophobicContact CD1-CE3 3.74Å; L38-W105 HydrophobicContact CD1-CZ3 4.07Å; L38-W105 HydrophobicContact CD2-CE3 4.46Å; L103-W105 WeakPolarHBondContact O-CZ3 3.29Å; W105-P107 WeakPolarHBondContact O-CD 3.38Å; W105-Y110 HydrophobicContact CB-CE2 4.43Å; W105-I113 HydrophobicContact CZ2-CG2 4.43Å; W105-I113 PolarHBondContact NE1-O 2.94Å; W105-I116 HydrophobicContact CH2-CD1 3.89Å; W105-I116 HydrophobicContact CH2-CG1 3.72Å; W105-I116 HydrophobicContact CZ2-CG1 4.41Å; W105-I116 HydrophobicContact CZ2-CG2 4.4Å; W105-I116 HydrophobicContact CZ3-CD1 3.94Å; W105-I116 HydrophobicContact CZ3-CG1 4.2Å; W105-V148 HydrophobicContact CH2-CG1 4.28Å; W105-V148 HydrophobicContact CZ3-CG1 3.87Å; W105-H150 HydrophobicContact CD2-CB 3.88Å; W105-H150 VanDerWaalsContact CE2-CB 3.44Å; W105-H150 HydrophobicContact CE3-CB 4.39Å; W105-H150 HydrophobicContact CG-CB 4.38Å; W105-H150 VanDerWaalsContact CH2-CA 3.49Å; W105-H150 HydrophobicContact CH2-CB 4.14Å; W105-H150 HydrophobicContact CZ2-CB 3.6Å; W105-H150 PolarHBondContact N-O 3.45Å
106N95.6Very high94.2Very high59 Ų5958.6 Ų58.632%0.31629%0.286SS..  trans-86.3117.3170179.411.7000109.9E108 E109N106-E108 PolarHBondContact O-N 3.35Å; N106-E108 PolarHBondContact OD1-N 3.13Å; N106-E109 HydrophobicContact CB-CG 4.35Å; N106-E109 VanDerWaalsContact CB-OE1 3.32Å; N106-E109 WeakPolarHBondContact CB-OE1 3.26Å; N106-E109 PolarHBondContact ND2-OE1 2.72Å; N106-E109 PolarHBondContact O-N 2.93Å
107P94.7Very high94.2Very high20 Ų2063 Ų6313%0.1331%0.31CS..G310 helixtrans-58.7-30.6178.2-26.236.3000113.7W105 E109 Y110 N112 H150W105-P107 WeakPolarHBondContact O-CD 3.38Å; P107-E109 PolarHBondContact O-N 3.49Å; P107-Y110 CarbonylContact O-C 3.58Å; P107-Y110 PolarHBondContact O-N 2.98Å; P107-Y110 VanDerWaalsContact O-N 3.09Å; P107-N112 VanDerWaalsContact O-CA 3.25Å; P107-N112 WeakPolarHBondContact O-CA 3.3Å; P107-N112 PolarHBondContact O-N 3.34Å; P107-H150 HydrophobicContact CG-CB 3.83Å
108E92.7Very high94.1Very high158 Ų15859.7 Ų59.774%0.73830%0.297SS*.G310 helixtrans-63.3-26.7-177.7-59.5-174.9156.200112.9N106N106-E108 PolarHBondContact O-N 3.35Å; N106-E108 PolarHBondContact OD1-N 3.13Å
109E91.8Very high94Very high134 Ų13461.8 Ų61.863%0.62631%0.312SS*.G310 helixtrans-81-19.5178.4-71.8162.8-135.300112.9N106 P107N106-E109 HydrophobicContact CB-CG 4.35Å; N106-E109 VanDerWaalsContact CB-OE1 3.32Å; N106-E109 WeakPolarHBondContact CB-OE1 3.26Å; N106-E109 PolarHBondContact ND2-OE1 2.72Å; N106-E109 PolarHBondContact O-N 2.93Å; P107-E109 PolarHBondContact O-N 3.49Å
110Y92.3Very high93.9Very high49 Ų4961.2 Ų61.219%0.19231%0.308CS..THydrogen-bonded Turntrans-127.752.4-173.8-59.5-89.7000111.1L34 W105 P107 N112 I113L34-Y110 HydrophobicContact CB-CD1 3.61Å; L34-Y110 HydrophobicContact CB-CE1 3.88Å; L34-Y110 HydrophobicContact CB-CG 4.15Å; L34-Y110 HydrophobicContact CD1-CD1 4.1Å; L34-Y110 HydrophobicContact CD1-CD2 3.94Å; L34-Y110 HydrophobicContact CD1-CE1 4.09Å; L34-Y110 HydrophobicContact CD1-CE2 3.96Å; L34-Y110 HydrophobicContact CD1-CG 4.01Å; L34-Y110 HydrophobicContact CD2-CG 4.45Å; L34-Y110 HydrophobicContact CG-CD1 4.33Å; L34-Y110 HydrophobicContact CG-CG 4.43Å; W105-Y110 HydrophobicContact CB-CE2 4.43Å; P107-Y110 CarbonylContact O-C 3.58Å; P107-Y110 PolarHBondContact O-N 2.98Å; P107-Y110 VanDerWaalsContact O-N 3.09Å; Y110-N112 PolarHBondContact O-N 2.84Å; Y110-I113 WeakPolarHBondContact O-CB 3.29Å; Y110-I113 WeakPolarHBondContact O-CD1 3.32Å; Y110-I113 WeakPolarHBondContact O-CG1 3.33Å; Y110-I113 PolarHBondContact O-N 2.84Å
111E90.4Very high93.8Very high139 Ų13965.7 Ų65.765%0.6533%0.332SS*.THydrogen-bonded Turntrans55.130.1171.1-66.2175.6162.400115T30 I113T30-E111 WeakPolarHBondContact CB-OE2 3.4Å; T30-E111 HydrophobicContact CG2-CG 3.92Å; T30-E111 WeakPolarHBondContact CG2-OE2 3.47Å; T30-E111 PolarHBondContact OG1-OE2 2.78Å; E111-I113 VanDerWaalsContact C-N 3.29Å; E111-I113 PolarHBondContact O-N 3.42Å
112N92.1Very high93.8Very high112 Ų11266.7 Ų66.760%0.59934%0.338SS*.THydrogen-bonded Turntrans61.528.7-174.3-59.3-48.3000114.7P107 Y110 T114P107-N112 VanDerWaalsContact O-CA 3.25Å; P107-N112 WeakPolarHBondContact O-CA 3.3Å; P107-N112 PolarHBondContact O-N 3.34Å; Y110-N112 PolarHBondContact O-N 2.84Å; N112-T114 PolarHBondContact O-N 3.03Å
113I92.9Very high93.9Very high33 Ų3362.4 Ų62.417%0.16932%0.318CS..  trans-61.5108.9166.2-66.7166.9000108.5E31 L34 W105 Y110 E111 H115 I116E31-I113 HydrophobicContact CB-CD1 3.95Å; L34-I113 HydrophobicContact CD2-CB 4.31Å; L34-I113 HydrophobicContact CD2-CG2 3.79Å; W105-I113 HydrophobicContact CZ2-CG2 4.43Å; W105-I113 PolarHBondContact NE1-O 2.94Å; Y110-I113 WeakPolarHBondContact O-CB 3.29Å; Y110-I113 WeakPolarHBondContact O-CD1 3.32Å; Y110-I113 WeakPolarHBondContact O-CG1 3.33Å; Y110-I113 PolarHBondContact O-N 2.84Å; E111-I113 VanDerWaalsContact C-N 3.29Å; E111-I113 PolarHBondContact O-N 3.42Å; I113-H115 WeakPolarHBondContact CG2-O 3.13Å; I113-I116 HydrophobicContact CG2-CG2 3.61Å
114T95.1Very high93.9Very high70 Ų7063 Ų6343%0.42932%0.32SS..  trans-89.4-19.8-179.950.30000113.5N112 H150N112-T114 PolarHBondContact O-N 3.03Å; T114-H150 PolarHBondContact O-CD2 3.46Å; T114-H150 PolarHBondContact O-N 2.57Å
115H95.6Very high93.9Very high77 Ų7762 Ų6236%0.35631%0.312SS..EExtended strand (participates in β ladder)trans-157152.8-177.663-77000111.5I113 R147 V148 D149I113-H115 WeakPolarHBondContact CG2-O 3.13Å; H115-R147 VanDerWaalsContact CB-NH2 3.35Å; H115-R147 PolarHBondContact CD2-NH1 3.13Å; H115-R147 PolarHBondContact CD2-NH2 3.03Å; H115-R147 PolarHBondContact ND1-NH2 3.44Å; H115-R147 PolarHBondContact NE2-NH1 3.38Å; H115-V148 CarbonylContact C-O 3.52Å; H115-V148 WeakPolarHBondContact CA-O 3.43Å; H115-V148 WeakPolarHBondContact CB-O 3.41Å; H115-D149 WeakPolarHBondContact CB-OD1 3.37Å
116I95.5Very high93.9Very high1 Ų161.4 Ų61.41%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-138.2156.6-179.256.6-177000110.3E31 L34 I35 L38 W105 I113 I118 V148E31-I116 HydrophobicContact CG-CG2 4.07Å; L34-I116 HydrophobicContact CD2-CD1 4.35Å; L34-I116 HydrophobicContact CD2-CG2 3.73Å; L34-I116 HydrophobicContact CG-CD1 4.35Å; I35-I116 HydrophobicContact CG1-CD1 4.04Å; L38-I116 HydrophobicContact CD1-CD1 3.63Å; W105-I116 HydrophobicContact CH2-CD1 3.89Å; W105-I116 HydrophobicContact CH2-CG1 3.72Å; W105-I116 HydrophobicContact CZ2-CG1 4.41Å; W105-I116 HydrophobicContact CZ2-CG2 4.4Å; W105-I116 HydrophobicContact CZ3-CD1 3.94Å; W105-I116 HydrophobicContact CZ3-CG1 4.2Å; I113-I116 HydrophobicContact CG2-CG2 3.61Å; I116-I118 HydrophobicContact CD1-CD1 3.84Å; I116-I118 HydrophobicContact CD1-CG1 4.06Å; I116-I118 HydrophobicContact CG1-CD1 4.29Å; I116-I118 HydrophobicContact CG1-CG1 4.08Å; I116-V148 HydrophobicContact CG1-CB 4.08Å; I116-V148 PolarHBondContact N-O 3.32Å; I116-V148 PolarHBondContact O-N 3.46Å
117N95.8Very high93.7Very high93 Ų9360.6 Ų60.650%0.49731%0.306SS..EExtended strand (participates in β ladder)trans-107.6110.6176.1-66.8-49.3000110.2A145 V146N117-A145 HydrophobicContact CB-CB 4.21Å; N117-V146 CarbonylContact C-O 3.56Å; N117-V146 WeakPolarHBondContact CA-O 3.41Å
118I94.9Very high93.6Very high0 Ų059.7 Ų59.70%030%0.3CS..EExtended strand (participates in β ladder)trans-105.1130.1-179-48.6-174.5000110.2L39 I116 K122 I123 V146 V148L39-I118 HydrophobicContact CD1-CG2 4.01Å; I116-I118 HydrophobicContact CD1-CD1 3.84Å; I116-I118 HydrophobicContact CD1-CG1 4.06Å; I116-I118 HydrophobicContact CG1-CD1 4.29Å; I116-I118 HydrophobicContact CG1-CG1 4.08Å; I118-K122 HydrophobicContact CG2-CB 4.23Å; I118-I123 HydrophobicContact CB-CG2 4.42Å; I118-I123 HydrophobicContact CD1-CG2 4.32Å; I118-I123 HydrophobicContact CG2-CG2 3.82Å; I118-V146 PolarHBondContact N-O 2.97Å; I118-V146 PolarHBondContact O-N 3.31Å; I118-V148 HydrophobicContact CD1-CG2 3.88Å; I118-V148 HydrophobicContact CG1-CG2 4.09Å
119P94.8Very high93.6Very high49 Ų4953.3 Ų53.332%0.31827%0.274SS..  trans-55.9139.6170.6-30.839.2000114D121 K122P119-D121 WeakPolarHBondContact CB-OD1 3.49Å; P119-D121 PolarHBondContact O-N 3.35Å; P119-D121 VanDerWaalsContact O-N 3.15Å; P119-K122 HydrophobicContact CB-CD 4.46Å; P119-K122 PolarHBondContact O-N 3.33Å
120T92.9Very high93.7Very high36 Ų3647.1 Ų47.122%0.22125%0.245CC..THydrogen-bonded Turntrans-58.9-22.9-178.4370000114.5K122 L125 C144 V146 W156T120-K122 PolarHBondContact O-N 3.41Å; T120-L125 HydrophobicContact CG2-CD1 4.02Å; T120-L125 HydrophobicContact CG2-CD2 4.46Å; T120-C144 WeakPolarHBondContact CG2-O 3.37Å; T120-V146 HydrophobicContact CG2-CG2 3.55Å; T120-W156 HydrophobicContact CG2-CD2 4.46Å; T120-W156 HydrophobicContact CG2-CZ2 3.81Å
121D92.5Very high93.7Very high93 Ų9346.5 Ų46.550%0.49724%0.243SC..THydrogen-bonded Turntrans-73.7-11.2179.969.8-66.4000113.7K44 P119K44-D121 VanDerWaalsContact CD-O 3.27Å; K44-D121 WeakPolarHBondContact CD-O 3.43Å; K44-D121 WeakPolarHBondContact CE-O 3.48Å; K44-D121 PolarHBondContact NZ-O 3.21Å; P119-D121 WeakPolarHBondContact CB-OD1 3.49Å; P119-D121 PolarHBondContact O-N 3.35Å; P119-D121 VanDerWaalsContact O-N 3.15Å
122K93.5Very high93.9Very high94 Ų9440.6 Ų40.641%0.40922%0.216SC..THydrogen-bonded Turntrans-107.3-23.7-169.7-58.8-177.8-173.3175.60114.9L39 I118 P119 T120L39-K122 HydrophobicContact CD1-CB 4.13Å; L39-K122 HydrophobicContact CD1-CD 3.98Å; I118-K122 HydrophobicContact CG2-CB 4.23Å; P119-K122 HydrophobicContact CB-CD 4.46Å; P119-K122 PolarHBondContact O-N 3.33Å; T120-K122 PolarHBondContact O-N 3.41Å
123I94.8Very high94Very high5 Ų540.1 Ų40.13%0.02621%0.207CC..SBendtrans-109.9167.1-177.165.6171.5000111.7L39 Y42 W98 L103 I118 L125 V146 V154L39-I123 HydrophobicContact CD2-CG2 4Å; Y42-I123 HydrophobicContact CE1-CB 4.19Å; Y42-I123 HydrophobicContact CE1-CG2 4.46Å; W98-I123 HydrophobicContact CZ2-CD1 4.39Å; L103-I123 HydrophobicContact CD1-CB 4.43Å; L103-I123 HydrophobicContact CD1-CG2 3.91Å; I118-I123 HydrophobicContact CB-CG2 4.42Å; I118-I123 HydrophobicContact CD1-CG2 4.32Å; I118-I123 HydrophobicContact CG2-CG2 3.82Å; I123-L125 HydrophobicContact CD1-CD2 4.44Å; I123-L125 HydrophobicContact CG1-CD2 4.25Å; I123-V146 HydrophobicContact CD1-CB 3.9Å; I123-V146 HydrophobicContact CD1-CG1 3.86Å; I123-V146 HydrophobicContact CD1-CG2 3.91Å; I123-V154 HydrophobicContact CD1-CG1 4.24Å
124W95.5Very high93.8Very high12 Ų1240.2 Ų40.25%0.04521%0.212CC..  trans-68.8143.3168.9179.587.4000110.3Y42 R47 P48 I67 W98 P126 F189Y42-W124 WeakPolarHBondContact OH-CB 3.48Å; Y42-W124 PolarHBondContact OH-N 3.05Å; R47-W124 HydrophobicContact CG-CZ2 4.13Å; P48-W124 VanDerWaalsContact CD-CD2 3.46Å; P48-W124 HydrophobicContact CG-CD2 4.26Å; P48-W124 HydrophobicContact CG-CE3 3.88Å; P48-W124 HydrophobicContact CG-CZ3 4.46Å; I67-W124 HydrophobicContact CD1-CE3 4.46Å; I67-W124 HydrophobicContact CD1-CH2 4.08Å; I67-W124 HydrophobicContact CD1-CZ3 3.74Å; I67-W124 HydrophobicContact CG2-CH2 4.14Å; W98-W124 WeakPolarHBondContact CZ2-O 3.38Å; W98-W124 AromaticContact NE1-CE3 3.89Å; W124-P126 HydrophobicContact CH2-CB 3.71Å; W124-P126 HydrophobicContact CZ2-CB 4.46Å; W124-P126 HydrophobicContact CZ3-CB 4Å; W124-P126 HydrophobicContact CZ3-CG 4.41Å; W124-F189 HydrophobicContact CZ2-CE2 4.45Å
125L94Very high93.2Very high51 Ų5138.9 Ų38.927%0.26720%0.202SC..  trans-130.8143.1175.3-62.8176.2000110W98 T120 I123 V146 W156W98-L125 HydrophobicContact CH2-CD2 3.65Å; W98-L125 HydrophobicContact CZ2-CD2 3.99Å; T120-L125 HydrophobicContact CG2-CD1 4.02Å; T120-L125 HydrophobicContact CG2-CD2 4.46Å; I123-L125 HydrophobicContact CD1-CD2 4.44Å; I123-L125 HydrophobicContact CG1-CD2 4.25Å; L125-V146 HydrophobicContact CD2-CG2 4.27Å; L125-W156 HydrophobicContact CD1-CH2 4.16Å; L125-W156 HydrophobicContact CD1-CZ2 4.49Å; L125-W156 HydrophobicContact CD1-CZ3 4.36Å; L125-W156 HydrophobicContact CD2-CD2 4.44Å; L125-W156 HydrophobicContact CD2-CE3 4.21Å; L125-W156 HydrophobicContact CD2-CZ3 4.43Å
126P94.2Very high92.1Very high4 Ų443.2 Ų43.23%0.02622%0.223CC..  trans-72.7132.9176.630.3-35000111.5V69 Y96 W98 W124 I128V69-P126 HydrophobicContact CG1-CB 4.14Å; V69-P126 HydrophobicContact CG1-CG 3.91Å; V69-P126 HydrophobicContact CG2-CB 3.96Å; V69-P126 HydrophobicContact CG2-CG 4.41Å; Y96-P126 HydrophobicContact CD1-CG 3.86Å; Y96-P126 HydrophobicContact CE1-CG 4.23Å; W98-P126 HydrophobicContact CE3-CG 4.29Å; W98-P126 HydrophobicContact CZ3-CG 4.31Å; W124-P126 HydrophobicContact CH2-CB 3.71Å; W124-P126 HydrophobicContact CZ2-CB 4.46Å; W124-P126 HydrophobicContact CZ3-CB 4Å; W124-P126 HydrophobicContact CZ3-CG 4.41Å; P126-I128 HydrophobicContact CB-CG1 4.28Å; P126-I128 PolarHBondContact O-N 3.06Å
127D91.7Very high91.1Very high43 Ų4353.9 Ų53.923%0.2326%0.263CS..  trans-80.537.5-175.771-25000113.7A129 P186 W187 T188 F189D127-A129 PolarHBondContact O-N 3.24Å; D127-P186 WeakPolarHBondContact OD1-CB 3.38Å; D127-W187 PolarHBondContact O-N 3.18Å; D127-W187 PolarHBondContact OD2-N 3.21Å; D127-T188 WeakPolarHBondContact OD2-CB 3.41Å; D127-T188 PolarHBondContact OD2-N 3.15Å; D127-T188 PolarHBondContact OD2-OG1 2.96Å; D127-F189 WeakPolarHBondContact OD1-CD2 3.22Å
128I93.4Very high89.9Confident1 Ų153 Ų531%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-66.5118.5176.3-56-179.1000108.4V69 F71 Y96 P126 R141 F184 G185 I196V69-I128 HydrophobicContact CB-CD1 4.48Å; V69-I128 HydrophobicContact CG1-CD1 3.84Å; F71-I128 HydrophobicContact CB-CD1 3.93Å; F71-I128 HydrophobicContact CD1-CG2 4.43Å; F71-I128 HydrophobicContact CD2-CD1 4.02Å; F71-I128 HydrophobicContact CD2-CG2 4.44Å; F71-I128 HydrophobicContact CE1-CG2 4.33Å; F71-I128 HydrophobicContact CE2-CG2 4.33Å; F71-I128 HydrophobicContact CG-CD1 4Å; F71-I128 HydrophobicContact CG-CG2 4.48Å; F71-I128 HydrophobicContact CZ-CG2 4.27Å; Y96-I128 HydrophobicContact CD1-CD1 4.2Å; Y96-I128 HydrophobicContact CE1-CB 4.05Å; Y96-I128 HydrophobicContact CE1-CD1 3.91Å; Y96-I128 HydrophobicContact CE1-CG1 4.28Å; P126-I128 HydrophobicContact CB-CG1 4.28Å; P126-I128 PolarHBondContact O-N 3.06Å; I128-R141 PolarHBondContact O-NH1 3.34Å; I128-R141 PolarHBondContact O-NH2 2.96Å; I128-F184 HydrophobicContact CG2-CB 3.9Å; I128-F184 HydrophobicContact CG2-CD1 4.22Å; I128-G185 CarbonylContact C-O 3.59Å; I128-G185 WeakPolarHBondContact CA-O 3.46Å; I128-I196 HydrophobicContact CD1-CD1 3.68Å; I128-I196 HydrophobicContact CD1-CG1 3.96Å; I128-I196 HydrophobicContact CG1-CD1 3.86Å; I128-I196 HydrophobicContact CG1-CG1 4.44Å; I128-I196 HydrophobicContact CG2-CD1 4.18Å
129A92Very high89Confident23 Ų2361.5 Ų61.519%0.1930%0.297CS..EExtended strand (participates in β ladder)trans-120.5154.9-178.700000111.3D127 F184 G185 W187D127-A129 PolarHBondContact O-N 3.24Å; A129-F184 WeakPolarHBondContact O-CA 3.33Å; A129-G185 PolarHBondContact N-O 2.85Å; A129-G185 PolarHBondContact O-N 3.22Å; A129-G185 VanDerWaalsContact O-N 3.16Å; A129-W187 HydrophobicContact CB-CB 4.4Å; A129-W187 HydrophobicContact CB-CE3 4.15Å
130L94.3Very high88.2Confident4 Ų461.6 Ų61.62%0.02129%0.294CS..EExtended strand (participates in β ladder)trans-75.7119.2168.7178.465.3000108.9N132 Y133 Y162 L182 R183 F184L130-N132 WeakPolarHBondContact CD1-OD1 3.41Å; L130-Y133 WeakPolarHBondContact O-CD1 3.37Å; L130-Y162 HydrophobicContact CB-CD1 4.3Å; L130-Y162 HydrophobicContact CD2-CD1 3.97Å; L130-Y162 HydrophobicContact CD2-CG 4.39Å; L130-L182 HydrophobicContact CD1-CB 3.89Å; L130-L182 HydrophobicContact CD1-CD2 4.26Å; L130-R183 CarbonylContact C-O 3.36Å; L130-F184 HydrophobicContact CB-CD1 4.25Å; L130-F184 HydrophobicContact CB-CE1 3.79Å; L130-F184 HydrophobicContact CB-CZ 4.21Å; L130-F184 HydrophobicContact CD1-CD2 4.39Å; L130-F184 HydrophobicContact CD1-CE1 4.24Å; L130-F184 HydrophobicContact CD1-CE2 3.99Å; L130-F184 HydrophobicContact CD1-CZ 3.9Å
131Y92.7Very high87.9Confident37 Ų3762.7 Ų62.715%0.14529%0.294CS..THydrogen-bonded Turntrans-81.3-25.7-179.1-67.1-9.8000113.8R183 G185 P186 W187 Y228 D237Y131-R183 HydrophobicContact CD2-CG 3.9Å; Y131-R183 HydrophobicContact CG-CG 4.39Å; Y131-R183 PolarHBondContact N-O 3.49Å; Y131-G185 WeakPolarHBondContact CE1-O 3.36Å; Y131-G185 VanDerWaalsContact OH-C 3.23Å; Y131-G185 VanDerWaalsContact OH-CA 3.32Å; Y131-G185 WeakPolarHBondContact OH-CA 3.45Å; Y131-P186 PolarHBondContact OH-O 2.94Å; Y131-W187 AromaticContact CD1-CE3 3.95Å; Y131-W187 HydrophobicContact CD1-CE3 3.95Å; Y131-W187 AromaticContact CD1-CZ3 3.94Å; Y131-W187 HydrophobicContact CD1-CZ3 3.94Å; Y131-W187 AromaticContact CE1-CE3 3.89Å; Y131-W187 HydrophobicContact CE1-CE3 3.89Å; Y131-W187 HydrophobicContact CE1-CZ3 4.28Å; Y131-Y228 VanDerWaalsContact CE2-OH 3.26Å; Y131-Y228 WeakPolarHBondContact CE2-OH 3.42Å; Y131-D237 HydrophobicContact CD2-CB 4.47Å; Y131-D237 HydrophobicContact CE2-CB 3.89Å
132N94.6Very high87.7Confident14 Ų1465.6 Ų65.68%0.07530%0.298CS..THydrogen-bonded Turntrans-105.440.2178.370.4-57.2000112.3L130 S164 T165 Y181 R183L130-N132 WeakPolarHBondContact CD1-OD1 3.41Å; N132-S164 CarbonylContact O-C 3.59Å; N132-S164 VanDerWaalsContact O-CA 3.29Å; N132-S164 WeakPolarHBondContact O-CA 3.38Å; N132-T165 PolarHBondContact ND2-O 3.5Å; N132-T165 VanDerWaalsContact ND2-O 3.15Å; N132-T165 PolarHBondContact O-N 3.45Å; N132-T165 PolarHBondContact O-OG1 3.18Å; N132-Y181 PolarHBondContact ND2-O 3.1Å; N132-R183 WeakPolarHBondContact OD1-CB 3.37Å; N132-R183 PolarHBondContact OD1-N 3.05Å
133Y92.7Very high87.4Confident103 Ų10370.1 Ų70.140%0.40432%0.32SS..BIsolated β-bridgetrans-61.215617467.2-88.8000111.8L130 E136 K163L130-Y133 WeakPolarHBondContact O-CD1 3.37Å; Y133-E136 HydrophobicContact CD2-CG 4.36Å; Y133-E136 HydrophobicContact CE2-CG 3.72Å; Y133-K163 CarbonylContact C-O 3.49Å; Y133-K163 WeakPolarHBondContact CA-O 3.3Å
134A89.9Confident87.3Confident35 Ų3572 Ų7229%0.28933%0.334SS..SBendtrans-124.8-6.318000000114.6I87 K163 T165I87-A134 HydrophobicContact CB-CB 4.46Å; I87-A134 HydrophobicContact CD1-CB 3.74Å; I87-A134 HydrophobicContact CG1-CB 3.76Å; I87-A134 HydrophobicContact CG2-CB 3.94Å; A134-K163 HydrophobicContact CB-CB 4.4Å; A134-K163 PolarHBondContact N-O 3.46Å; A134-T165 HydrophobicContact CB-CG2 3.8Å
135D82.6Confident87.3Confident42 Ų4274 Ų7423%0.22535%0.353CS..  trans-148.5101.9-174.4-172-9.8000110.7R137 L138 K163D135-R137 PolarHBondContact O-N 2.97Å; D135-R137 WeakPolarHBondContact OD1-CB 3.34Å; D135-R137 PolarHBondContact OD1-N 2.82Å; D135-R137 VanDerWaalsContact OD1-N 3.08Å; D135-L138 HydrophobicContact CB-CD1 4.26Å; D135-K163 HydrophobicContact CB-CB 4.35Å; D135-K163 HydrophobicContact CB-CD 3.61Å; D135-K163 IonicContact OD2-NZ 2.61Å; D135-K163 PolarHBondContact OD2-NZ 2.81Å
136E73Confident87.4Confident168 Ų16871.6 Ų71.679%0.78534%0.34SS*.THydrogen-bonded Turntrans-65.2-13.2179.5-66.1176.7-175.200113.8Y133Y133-E136 HydrophobicContact CD2-CG 4.36Å; Y133-E136 HydrophobicContact CE2-CG 3.72Å
137R73.3Confident87.5Confident225 Ų22575.5 Ų75.585%0.84935%0.354SS*.THydrogen-bonded Turntrans-90.6-4.2-169.7-58.3171.654.483.66.4113.9D135D135-R137 PolarHBondContact O-N 2.97Å; D135-R137 WeakPolarHBondContact OD1-CB 3.34Å; D135-R137 PolarHBondContact OD1-N 2.82Å; D135-R137 VanDerWaalsContact OD1-N 3.08Å
138L69.8Low87.8Confident75 Ų7573.5 Ų73.539%0.39334%0.343SS..  trans-99.4122.9-176.5-68.7175.9000111.5D135 E140 K163D135-L138 HydrophobicContact CB-CD1 4.26Å; L138-E140 PolarHBondContact O-N 3.13Å; L138-K163 HydrophobicContact CD1-CD 3.63Å; L138-K163 HydrophobicContact CD1-CG 3.95Å
139E76.1Confident88Confident177 Ų17775.3 Ų75.383%0.82735%0.353SS*.  trans-65.198159-68.9175.2169.200108R141E139-R141 PolarHBondContact O-N 2.98Å; E139-R141 VanDerWaalsContact O-N 3.14Å
140E79.8Confident88.2Confident51 Ų5176.6 Ų76.624%0.23836%0.355CS..  trans-57.1-33.1-170.9-58.4-175.4125.700112.9L138 A160 I161 Y162L138-E140 PolarHBondContact O-N 3.13Å; E140-A160 CarbonylContact O-C 3.59Å; E140-A160 WeakPolarHBondContact O-CA 3.49Å; E140-A160 WeakPolarHBondContact O-CB 3.46Å; E140-I161 PolarHBondContact O-N 3.25Å; E140-Y162 HydrophobicContact CB-CD1 4.07Å; E140-Y162 HydrophobicContact CB-CE1 3.76Å; E140-Y162 VanDerWaalsContact CD-CE1 3.41Å; E140-Y162 HydrophobicContact CG-CD1 4.15Å; E140-Y162 HydrophobicContact CG-CE1 4.1Å; E140-Y162 VanDerWaalsContact OE1-CD1 3.28Å; E140-Y162 WeakPolarHBondContact OE1-CD1 3.39Å; E140-Y162 WeakPolarHBondContact OE1-CE1 3.24Å; E140-Y162 WeakPolarHBondContact OE2-CE1 3.47Å
141R85.5Confident88.2Confident59 Ų5981 Ų8122%0.22338%0.379CS..BIsolated β-bridgetrans-117141.8-167.9-62.6174.1-158.4152.723.7111.6Y96 I128 E139 P158 A160 Y162Y96-R141 PolarHBondContact OH-NH1 2.91Å; I128-R141 PolarHBondContact O-NH1 3.34Å; I128-R141 PolarHBondContact O-NH2 2.96Å; E139-R141 PolarHBondContact O-N 2.98Å; E139-R141 VanDerWaalsContact O-N 3.14Å; R141-P158 HydrophobicContact CB-CB 4.36Å; R141-A160 HydrophobicContact CG-CB 4.09Å; R141-Y162 PolarHBondContact NE-OH 3.28Å
142R89Confident88.3Confident155 Ų15579.3 Ų79.359%0.58537%0.372SS*.  trans-80.1142.5167.9-58.6-55.4-174178.2-0.4110.4C144 M159R142-C144 PolarHBondContact O-N 2.99Å; R142-M159 HydrophobicContact CG-CB 4.39Å; R142-M159 PolarHBondContact N-O 3.37Å
143E87.4Confident88.4Confident188 Ų18880.6 Ų80.688%0.87938%0.38SS*.  trans-61.2131.2171.3-61.5-174.8150.700110.8
144C92.9Very high88.6Confident46 Ų4675.7 Ų75.731%0.31136%0.361SS..  trans-151.1152.6165.964.80000109.3T120 R142 W156T120-C144 WeakPolarHBondContact CG2-O 3.37Å; R142-C144 PolarHBondContact O-N 2.99Å; C144-W156 PolarHBondContact SG-NE1 3.47Å
145A94.6Very high88.9Confident53 Ų5375.9 Ų75.944%0.43836%0.356SS..PPolyproline II helixtrans-68153.2173.100000111.3N117N117-A145 HydrophobicContact CB-CB 4.21Å
146V96.1Very high89.5Confident0 Ų074.7 Ų74.70%035%0.349CS..EExtended strand (participates in β ladder)trans-92.9134.1176.6-174.20000109.2W98 N117 I118 T120 I123 L125 V154 W156W98-V146 HydrophobicContact CH2-CG1 4.42Å; N117-V146 CarbonylContact C-O 3.56Å; N117-V146 WeakPolarHBondContact CA-O 3.41Å; I118-V146 PolarHBondContact N-O 2.97Å; I118-V146 PolarHBondContact O-N 3.31Å; T120-V146 HydrophobicContact CG2-CG2 3.55Å; I123-V146 HydrophobicContact CD1-CB 3.9Å; I123-V146 HydrophobicContact CD1-CG1 3.86Å; I123-V146 HydrophobicContact CD1-CG2 3.91Å; L125-V146 HydrophobicContact CD2-CG2 4.27Å; V146-V154 HydrophobicContact CG1-CG1 3.23Å; V146-W156 HydrophobicContact CG1-CB 4.01Å; V146-W156 HydrophobicContact CG2-CB 4.18Å; V146-W156 HydrophobicContact CG2-CG 3.91Å
147R96.9Very high90.6Very high87 Ų8769.5 Ų69.533%0.32832%0.324SS..EExtended strand (participates in β ladder)trans-82.4128.3170.7178.9-173.11749810.5108.6H115 D149 V154 E155H115-R147 VanDerWaalsContact CB-NH2 3.35Å; H115-R147 PolarHBondContact CD2-NH1 3.13Å; H115-R147 PolarHBondContact CD2-NH2 3.03Å; H115-R147 PolarHBondContact ND1-NH2 3.44Å; H115-R147 PolarHBondContact NE2-NH1 3.38Å; R147-D149 IonicContact CZ-OD1 3.76Å; R147-D149 IonicContact NE-OD1 3.71Å; R147-D149 PolarHBondContact NE-OD1 3.01Å; R147-D149 IonicContact NE-OD2 2.91Å; R147-D149 IonicContact NH2-OD1 2.75Å; R147-D149 PolarHBondContact NH2-OD1 3.3Å; R147-V154 WeakPolarHBondContact O-CA 3.48Å; R147-E155 HydrophobicContact CB-CB 4.5Å; R147-E155 PolarHBondContact N-O 3.05Å; R147-E155 PolarHBondContact O-N 3.14Å
148V97.2Very high91.6Very high0 Ų058.8 Ų58.80%028%0.284CS..EExtended strand (participates in β ladder)trans-117.6125.3169.5-174.10000108.1L103 W105 H115 I116 I118 V154L103-V148 HydrophobicContact CB-CG1 3.97Å; L103-V148 HydrophobicContact CD1-CG2 4.3Å; W105-V148 HydrophobicContact CH2-CG1 4.28Å; W105-V148 HydrophobicContact CZ3-CG1 3.87Å; H115-V148 CarbonylContact C-O 3.52Å; H115-V148 WeakPolarHBondContact CA-O 3.43Å; H115-V148 WeakPolarHBondContact CB-O 3.41Å; I116-V148 HydrophobicContact CG1-CB 4.08Å; I116-V148 PolarHBondContact N-O 3.32Å; I116-V148 PolarHBondContact O-N 3.46Å; I118-V148 HydrophobicContact CD1-CG2 3.88Å; I118-V148 HydrophobicContact CG1-CG2 4.09Å; V148-V154 HydrophobicContact CG1-CG2 4.4Å; V148-V154 HydrophobicContact CG2-CG1 4.33Å; V148-V154 HydrophobicContact CG2-CG2 4.4Å
149D97.1Very high92.8Very high40 Ų4060.2 Ų60.221%0.21429%0.29CS..EExtended strand (participates in β ladder)trans-93.3150.4170.3-70.7-19.1000110.2H115 R147 N151 G152 V153H115-D149 WeakPolarHBondContact CB-OD1 3.37Å; R147-D149 IonicContact CZ-OD1 3.76Å; R147-D149 IonicContact NE-OD1 3.71Å; R147-D149 PolarHBondContact NE-OD1 3.01Å; R147-D149 IonicContact NE-OD2 2.91Å; R147-D149 IonicContact NH2-OD1 2.75Å; R147-D149 PolarHBondContact NH2-OD1 3.3Å; D149-N151 PolarHBondContact O-N 2.89Å; D149-G152 PolarHBondContact O-N 3.26Å; D149-V153 HydrophobicContact CB-CB 4.49Å; D149-V153 PolarHBondContact N-O 3.34Å; D149-V153 PolarHBondContact O-N 2.66Å
150H96.5Very high93.7Very high49 Ų4951.9 Ų51.923%0.22725%0.251CS..THydrogen-bonded Turntrans-55.5-18.5-171.17592.3000116.5W105 P107 T114 G152W105-H150 HydrophobicContact CD2-CB 3.88Å; W105-H150 VanDerWaalsContact CE2-CB 3.44Å; W105-H150 HydrophobicContact CE3-CB 4.39Å; W105-H150 HydrophobicContact CG-CB 4.38Å; W105-H150 VanDerWaalsContact CH2-CA 3.49Å; W105-H150 HydrophobicContact CH2-CB 4.14Å; W105-H150 HydrophobicContact CZ2-CB 3.6Å; W105-H150 PolarHBondContact N-O 3.45Å; P107-H150 HydrophobicContact CG-CB 3.83Å; T114-H150 PolarHBondContact O-CD2 3.46Å; T114-H150 PolarHBondContact O-N 2.57Å; H150-G152 PolarHBondContact O-N 3.25Å
151N95.2Very high94.3Very high98 Ų9852.3 Ų52.352%0.52425%0.254SS..EExtended strand (participates in β ladder)trans-81.59.4174.9-56.8-64.5000113.3D149 V153D149-N151 PolarHBondContact O-N 2.89Å; N151-V153 VanDerWaalsContact C-N 3.26Å; N151-V153 HydrophobicContact CB-CG2 4.41Å; N151-V153 PolarHBondContact O-N 3.49Å
152G93.8Very high94.8Very high0 Ų049.5 Ų49.50%024%0.244CC..EExtended strand (participates in β ladder)trans73.114.2-172.700000113.7T99 D100 L103 D149 H150T99-G152 CarbonylContact C-O 3.58Å; T99-G152 VanDerWaalsContact CA-O 3.32Å; T99-G152 WeakPolarHBondContact CA-O 3.43Å; D100-G152 PolarHBondContact N-O 3.26Å; D100-G152 WeakPolarHBondContact O-CA 3.31Å; L103-G152 WeakPolarHBondContact O-CA 3.46Å; D149-G152 PolarHBondContact O-N 3.26Å; H150-G152 PolarHBondContact O-N 3.25Å
153V96.4Very high95.1Very high41 Ų4144.9 Ų44.925%0.24823%0.228CC..EExtended strand (participates in β ladder)trans-81.3126.8175179.40000108.6R97 D149 N151R97-V153 HydrophobicContact CG-CG1 4.13Å; D149-V153 HydrophobicContact CB-CB 4.49Å; D149-V153 PolarHBondContact N-O 3.34Å; D149-V153 PolarHBondContact O-N 2.66Å; N151-V153 VanDerWaalsContact C-N 3.26Å; N151-V153 HydrophobicContact CB-CG2 4.41Å; N151-V153 PolarHBondContact O-N 3.49Å
154V97.2Very high95.4Very high0 Ų035.9 Ų35.90%019%0.186CC..EExtended strand (participates in β ladder)trans-116119.7-173.1-171.90000109R97 W98 D100 I123 V146 R147 V148R97-V154 VanDerWaalsContact CA-O 3.3Å; R97-V154 WeakPolarHBondContact CA-O 3.42Å; W98-V154 HydrophobicContact CD2-CB 3.94Å; W98-V154 HydrophobicContact CD2-CG1 4.12Å; W98-V154 HydrophobicContact CE3-CB 4.42Å; W98-V154 HydrophobicContact CE3-CG1 4.35Å; W98-V154 HydrophobicContact CG-CB 4.31Å; W98-V154 HydrophobicContact CH2-CG1 3.65Å; W98-V154 HydrophobicContact CZ2-CB 4.06Å; W98-V154 HydrophobicContact CZ2-CG1 3.37Å; W98-V154 HydrophobicContact CZ3-CG1 4.13Å; W98-V154 PolarHBondContact N-O 2.85Å; W98-V154 PolarHBondContact O-N 3Å; D100-V154 HydrophobicContact CB-CG2 3.74Å; I123-V154 HydrophobicContact CD1-CG1 4.24Å; V146-V154 HydrophobicContact CG1-CG1 3.23Å; R147-V154 WeakPolarHBondContact O-CA 3.48Å; V148-V154 HydrophobicContact CG1-CG2 4.4Å; V148-V154 HydrophobicContact CG2-CG1 4.33Å; V148-V154 HydrophobicContact CG2-CG2 4.4Å
155E96.6Very high95.5Very high39 Ų3936.5 Ų36.518%0.18219%0.188CC..EExtended strand (participates in β ladder)trans-116.1123.6175.8-70.5-161.7157.400111.1Y96 R97 R147 H157 Y199Y96-E155 WeakPolarHBondContact O-CA 3.39Å; R97-E155 HydrophobicContact CB-CG 4.34Å; R97-E155 HydrophobicContact CG-CG 4.15Å; R97-E155 IonicContact CZ-OE1 3.82Å; R97-E155 IonicContact NE-OE1 3.96Å; R97-E155 PolarHBondContact NE-OE1 3.21Å; R97-E155 IonicContact NH2-OE1 3.71Å; R97-E155 PolarHBondContact NH2-OE1 2.83Å; R147-E155 HydrophobicContact CB-CB 4.5Å; R147-E155 PolarHBondContact N-O 3.05Å; R147-E155 PolarHBondContact O-N 3.14Å; E155-H157 IonicContact OE2-CE1 2.79Å; E155-H157 PolarHBondContact OE2-CE1 3.03Å; E155-Y199 PolarHBondContact OE1-OH 2.91Å
156W96Very high95.5Very high18 Ų1834.1 Ų34.17%0.06817%0.168CC..EExtended strand (participates in β ladder)trans-128.9120.8178.7-176.943.8000110.2Y96 W98 T120 L125 C144 V146 P158Y96-W156 WeakPolarHBondContact CB-O 3.47Å; Y96-W156 HydrophobicContact CD2-CD2 4.32Å; Y96-W156 AromaticContact CD2-CE3 3.66Å; Y96-W156 HydrophobicContact CD2-CE3 3.66Å; Y96-W156 HydrophobicContact CD2-CZ3 4.25Å; Y96-W156 WeakPolarHBondContact CD2-O 3.33Å; Y96-W156 AromaticContact CE2-CE3 3.84Å; Y96-W156 HydrophobicContact CE2-CE3 3.84Å; Y96-W156 AromaticContact CE2-CZ3 3.96Å; Y96-W156 HydrophobicContact CE2-CZ3 3.96Å; Y96-W156 HydrophobicContact CG-CE3 4.03Å; Y96-W156 PolarHBondContact N-O 3.32Å; Y96-W156 PolarHBondContact O-N 3.46Å; W98-W156 HydrophobicContact CH2-CB 4.1Å; W98-W156 HydrophobicContact CZ3-CB 3.93Å; T120-W156 HydrophobicContact CG2-CD2 4.46Å; T120-W156 HydrophobicContact CG2-CZ2 3.81Å; L125-W156 HydrophobicContact CD1-CH2 4.16Å; L125-W156 HydrophobicContact CD1-CZ2 4.49Å; L125-W156 HydrophobicContact CD1-CZ3 4.36Å; L125-W156 HydrophobicContact CD2-CD2 4.44Å; L125-W156 HydrophobicContact CD2-CE3 4.21Å; L125-W156 HydrophobicContact CD2-CZ3 4.43Å; C144-W156 PolarHBondContact SG-NE1 3.47Å; V146-W156 HydrophobicContact CG1-CB 4.01Å; V146-W156 HydrophobicContact CG2-CB 4.18Å; V146-W156 HydrophobicContact CG2-CG 3.91Å; W156-P158 VanDerWaalsContact C-CD 3.41Å; W156-P158 HydrophobicContact CD2-CG 3.97Å; W156-P158 HydrophobicContact CE3-CG 4.32Å; W156-P158 HydrophobicContact CH2-CG 4.23Å; W156-P158 HydrophobicContact CZ2-CB 4.14Å; W156-P158 HydrophobicContact CZ2-CG 3.84Å; W156-P158 HydrophobicContact CZ3-CG 4.45Å; W156-P158 WeakPolarHBondContact O-CD 3.49Å
157H94.9Very high95.2Very high58 Ų5837.8 Ų37.827%0.26919%0.192SC..  trans-125.856.9-169.6-62.7150.8000113.4R93 S94 L95 E155 Y199R93-H157 HydrophobicContact CG-CB 4.28Å; S94-H157 CarbonylContact O-C 3.51Å; S94-H157 WeakPolarHBondContact O-CA 3.08Å; L95-H157 HydrophobicContact CD2-CB 4.37Å; E155-H157 IonicContact OE2-CE1 2.79Å; E155-H157 PolarHBondContact OE2-CE1 3.03Å; H157-Y199 PolarHBondContact CE1-OH 3.38Å; H157-Y199 VanDerWaalsContact CE1-OH 3.27Å; H157-Y199 AromaticContact NE2-CE2 3.4Å; H157-Y199 WeakPolarHBondContact NE2-CE2 3.25Å; H157-Y199 AromaticContact NE2-CZ 3.53Å; H157-Y199 PolarHBondContact NE2-OH 3.4Å; H157-Y199 VanDerWaalsContact NE2-OH 3.14Å
158P95.5Very high94.9Very high1 Ų134.3 Ų34.31%0.00618%0.18CC..  trans-67.3141.4-177.429.6-35.7000112.2R93 S94 Y96 R141 W156R93-P158 WeakPolarHBondContact CA-O 3.17Å; S94-P158 PolarHBondContact N-O 3.1Å; S94-P158 WeakPolarHBondContact O-CD 3.41Å; Y96-P158 HydrophobicContact CD2-CG 4.4Å; Y96-P158 HydrophobicContact CE2-CG 4.04Å; R141-P158 HydrophobicContact CB-CB 4.36Å; W156-P158 VanDerWaalsContact C-CD 3.41Å; W156-P158 HydrophobicContact CD2-CG 3.97Å; W156-P158 HydrophobicContact CE3-CG 4.32Å; W156-P158 HydrophobicContact CH2-CG 4.23Å; W156-P158 HydrophobicContact CZ2-CB 4.14Å; W156-P158 HydrophobicContact CZ2-CG 3.84Å; W156-P158 HydrophobicContact CZ3-CG 4.45Å; W156-P158 WeakPolarHBondContact O-CD 3.49Å
159M94.8Very high94.5Very high105 Ų10540.4 Ų40.452%0.51721%0.207SC..EExtended strand (participates in β ladder)trans-75.7140.5164-65.6-171.6-64.100109.5I76 V92 R142I76-M159 HydrophobicContact CD1-CG 4.46Å; V92-M159 CarbonylContact O-C 3.54Å; V92-M159 WeakPolarHBondContact O-CA 3.38Å; R142-M159 HydrophobicContact CG-CB 4.39Å; R142-M159 PolarHBondContact N-O 3.37Å
160A93.2Very high94.1Very high2 Ų238.7 Ų38.72%0.01720%0.198CC..EExtended strand (participates in β ladder)trans-140.2151.4-174.400000112.3S91 V92 E140 R141 Y162S91-A160 WeakPolarHBondContact CA-O 3.4Å; V92-A160 HydrophobicContact CG2-CB 4.03Å; V92-A160 PolarHBondContact N-O 2.99Å; V92-A160 PolarHBondContact O-N 2.93Å; E140-A160 CarbonylContact O-C 3.59Å; E140-A160 WeakPolarHBondContact O-CA 3.49Å; E140-A160 WeakPolarHBondContact O-CB 3.46Å; R141-A160 HydrophobicContact CG-CB 4.09Å; A160-Y162 HydrophobicContact CB-CD2 3.98Å; A160-Y162 HydrophobicContact CB-CE1 4.47Å; A160-Y162 HydrophobicContact CB-CE2 3.36Å
161I94.2Very high93.6Very high59 Ų5941 Ų4130%0.30321%0.207SC..EExtended strand (participates in β ladder)trans-118.4107.2168.8-60.2177.3000107.2L79 T89 V90 E140L79-I161 HydrophobicContact CD1-CD1 4.4Å; L79-I161 HydrophobicContact CD1-CG1 4.48Å; L79-I161 HydrophobicContact CD1-CG2 4.06Å; T89-I161 HydrophobicContact CG2-CG2 3.88Å; V90-I161 WeakPolarHBondContact O-CA 3.48Å; E140-I161 PolarHBondContact O-N 3.25Å
162Y95Very high93.3Very high0 Ų041.9 Ų41.90%020%0.204CC..EExtended strand (participates in β ladder)trans-99.9132.2178.8-66.8-70.1000110.3T89 V90 V92 S94 L130 E140 R141 A160 L182 F184T89-Y162 WeakPolarHBondContact CA-O 3.47Å; V90-Y162 PolarHBondContact N-O 2.9Å; V90-Y162 PolarHBondContact O-N 3.1Å; V92-Y162 HydrophobicContact CG2-CD2 3.44Å; V92-Y162 VanDerWaalsContact CG2-CD2 3.44Å; V92-Y162 HydrophobicContact CG2-CE2 3.39Å; S94-Y162 WeakPolarHBondContact OG-CE2 3.49Å; S94-Y162 PolarHBondContact OG-OH 3.18Å; L130-Y162 HydrophobicContact CB-CD1 4.3Å; L130-Y162 HydrophobicContact CD2-CD1 3.97Å; L130-Y162 HydrophobicContact CD2-CG 4.39Å; E140-Y162 HydrophobicContact CB-CD1 4.07Å; E140-Y162 HydrophobicContact CB-CE1 3.76Å; E140-Y162 VanDerWaalsContact CD-CE1 3.41Å; E140-Y162 HydrophobicContact CG-CD1 4.15Å; E140-Y162 HydrophobicContact CG-CE1 4.1Å; E140-Y162 VanDerWaalsContact OE1-CD1 3.28Å; E140-Y162 WeakPolarHBondContact OE1-CD1 3.39Å; E140-Y162 WeakPolarHBondContact OE1-CE1 3.24Å; E140-Y162 WeakPolarHBondContact OE2-CE1 3.47Å; R141-Y162 PolarHBondContact NE-OH 3.28Å; A160-Y162 HydrophobicContact CB-CD2 3.98Å; A160-Y162 HydrophobicContact CB-CE1 4.47Å; A160-Y162 HydrophobicContact CB-CE2 3.36Å; Y162-L182 HydrophobicContact CG-CD2 4.37Å; Y162-F184 HydrophobicContact CD1-CE1 4.15Å; Y162-F184 AromaticContact CD1-CZ 3.96Å; Y162-F184 HydrophobicContact CD1-CZ 3.96Å; Y162-F184 AromaticContact CD2-CZ 3.89Å; Y162-F184 HydrophobicContact CD2-CZ 3.89Å; Y162-F184 AromaticContact CE1-CE1 3.62Å; Y162-F184 HydrophobicContact CE1-CE1 3.62Å; Y162-F184 AromaticContact CE1-CZ 3.79Å; Y162-F184 HydrophobicContact CE1-CZ 3.79Å; Y162-F184 HydrophobicContact CE2-CE1 4.15Å; Y162-F184 AromaticContact CE2-CZ 3.72Å; Y162-F184 HydrophobicContact CE2-CZ 3.72Å; Y162-F184 HydrophobicContact CG-CZ 4.03Å; Y162-F184 AromaticContact CZ-CE1 3.64Å; Y162-F184 AromaticContact CZ-CZ 3.69Å
163K94.9Very high93Very high58 Ų5842.3 Ų42.325%0.25221%0.206SC..EExtended strand (participates in β ladder)trans-104.5105.1166-79.6-172.1178.8176.20109.1I87 L88 T89 Y133 A134 D135 L138I87-K163 HydrophobicContact CG2-CB 3.92Å; I87-K163 HydrophobicContact CG2-CD 4.27Å; I87-K163 HydrophobicContact CG2-CG 4.1Å; L88-K163 WeakPolarHBondContact O-CA 3.47Å; T89-K163 HydrophobicContact CG2-CG 4Å; Y133-K163 CarbonylContact C-O 3.49Å; Y133-K163 WeakPolarHBondContact CA-O 3.3Å; A134-K163 HydrophobicContact CB-CB 4.4Å; A134-K163 PolarHBondContact N-O 3.46Å; D135-K163 HydrophobicContact CB-CB 4.35Å; D135-K163 HydrophobicContact CB-CD 3.61Å; D135-K163 IonicContact OD2-NZ 2.61Å; D135-K163 PolarHBondContact OD2-NZ 2.81Å; L138-K163 HydrophobicContact CD1-CD 3.63Å; L138-K163 HydrophobicContact CD1-CG 3.95Å
164S95.1Very high92.7Very high0 Ų040.5 Ų40.50%020%0.195CC..EExtended strand (participates in β ladder)trans-108.5138.7-179.956.80000111.5L88 N132 C166L88-S164 PolarHBondContact N-O 3.48Å; L88-S164 PolarHBondContact O-N 3.11Å; L88-S164 PolarHBondContact O-OG 2.7Å; N132-S164 CarbonylContact O-C 3.59Å; N132-S164 VanDerWaalsContact O-CA 3.29Å; N132-S164 WeakPolarHBondContact O-CA 3.38Å; S164-C166 PolarHBondContact O-N 2.92Å
165T94.1Very high92.4Very high59 Ų5946.8 Ų46.836%0.36222%0.22SC..EExtended strand (participates in β ladder)trans-65.1132.8170.5520000110.7N132 A134N132-T165 PolarHBondContact ND2-O 3.5Å; N132-T165 VanDerWaalsContact ND2-O 3.15Å; N132-T165 PolarHBondContact O-N 3.45Å; N132-T165 PolarHBondContact O-OG1 3.18Å; A134-T165 HydrophobicContact CB-CG2 3.8Å
166C94Very high92.1Very high2 Ų245 Ų451%0.01421%0.212CC..  trans-138.8118.6-179.2176.50000111.7L81 Q86 L88 S164 V168 C180L81-C166 HydrophobicContact CD1-CB 4.33Å; Q86-C166 WeakPolarHBondContact CB-O 3.41Å; Q86-C166 PolarHBondContact O-N 3.27Å; L88-C166 HydrophobicContact CB-CB 4.09Å; S164-C166 PolarHBondContact O-N 2.92Å; C166-V168 WeakPolarHBondContact O-CG2 3.25Å; C166-V168 PolarHBondContact O-N 3.42Å; C166-V168 VanDerWaalsContact O-N 3.16Å; C166-C180 HydrophobicContact CB-CB 3.74Å; C166-C180 WeakPolarHBondContact CB-SG 3.11Å; C166-C180 WeakPolarHBondContact SG-CA 3.33Å; C166-C180 WeakPolarHBondContact SG-CB 3.36Å; C166-C180 CovalentContact SG-SG 2.03Å; C166-C180 PolarHBondContact SG-SG 2.73Å
167P90.7Very high91.9Very high78 Ų7847.8 Ų47.851%0.50622%0.224SC..  trans-74.9105.1-178.130.1-34000111.9
168V89.8Confident91.9Very high13 Ų1345.1 Ų45.18%0.07921%0.211CC..  trans-81.2122-174.9-172.90000112.1L81 E83 C166 I170 Q178L81-V168 HydrophobicContact CD1-CG2 4.18Å; L81-V168 HydrophobicContact CD2-CG2 4.07Å; L81-V168 HydrophobicContact CG-CG2 4.35Å; E83-V168 HydrophobicContact CB-CG1 4.24Å; E83-V168 HydrophobicContact CB-CG2 4.49Å; E83-V168 HydrophobicContact CG-CG1 3.88Å; E83-V168 HydrophobicContact CG-CG2 4.42Å; C166-V168 WeakPolarHBondContact O-CG2 3.25Å; C166-V168 PolarHBondContact O-N 3.42Å; C166-V168 VanDerWaalsContact O-N 3.16Å; V168-I170 HydrophobicContact CG1-CG2 3.76Å; V168-Q178 HydrophobicContact CG1-CG 4.34Å
169K89.2Confident91.9Very high129 Ų12948 Ų4856%0.56123%0.229SC*.  trans-92.896.4174.8-72.2-171.2175.1-173.50110.7Q178 E802K169-Q178 PolarHBondContact O-NE2 3.35Å; K169-E802 IonicContact NZ-OE2 2.75Å; K169-E802 PolarHBondContact NZ-OE2 2.94Å
170I88.1Confident92Very high4 Ų443 Ų432%0.02120%0.204CC..  trans-87.8-2.1-174.265.9174.4000116.4V168 Y172 F173 I301 P302 S307 P309V168-I170 HydrophobicContact CG1-CG2 3.76Å; I170-Y172 VanDerWaalsContact C-N 3.25Å; I170-Y172 PolarHBondContact O-N 2.91Å; I170-F173 VanDerWaalsContact O-CB 3.22Å; I170-F173 WeakPolarHBondContact O-CB 3.44Å; I170-F173 PolarHBondContact O-N 3.31Å; I170-I301 HydrophobicContact CD1-CB 4.44Å; I170-I301 HydrophobicContact CD1-CG1 4.2Å; I170-I301 HydrophobicContact CD1-CG2 3.88Å; I170-P302 HydrophobicContact CD1-CG 4.26Å; I170-P302 HydrophobicContact CG2-CG 3.9Å; I170-S307 WeakPolarHBondContact CG1-O 3.28Å; I170-P309 HydrophobicContact CD1-CG 4.4Å
171K86.6Confident92.1Very high98 Ų9846.5 Ų46.543%0.42622%0.218SC..THydrogen-bonded Turntrans-45.9-42.9-170.8-176.8-176.9176.2-163.10114.8L310K171-L310 WeakPolarHBondContact O-CG 3.43Å; K171-L310 PolarHBondContact O-N 2.9Å; K171-L310 VanDerWaalsContact O-N 3.11Å
172Y88.3Confident92.2Very high115 Ų11543.8 Ų43.845%0.45120%0.204SC..THydrogen-bonded Turntrans-103.311.8-175.6-63-74000114.4I170 Y175 L310 P794I170-Y172 VanDerWaalsContact C-N 3.25Å; I170-Y172 PolarHBondContact O-N 2.91Å; Y172-Y175 CarbonylContact O-C 3.58Å; Y172-Y175 WeakPolarHBondContact O-CA 3.39Å; Y172-Y175 PolarHBondContact O-N 2.99Å; Y172-L310 HydrophobicContact CD1-CD1 3.66Å; Y172-L310 HydrophobicContact CE1-CD1 3.73Å; Y172-P794 HydrophobicContact CE1-CG 4.43Å
173F88.2Confident92.3Very high9 Ų946.3 Ų46.34%0.03921%0.213CC..THydrogen-bonded Turntrans-49.5133.7179.3177.8-89.6000112.4I170 Y251 L255 L297 P309 I311I170-F173 VanDerWaalsContact O-CB 3.22Å; I170-F173 WeakPolarHBondContact O-CB 3.44Å; I170-F173 PolarHBondContact O-N 3.31Å; F173-Y251 HydrophobicContact CE1-CD1 4.2Å; F173-Y251 HydrophobicContact CE2-CD1 4.42Å; F173-Y251 HydrophobicContact CE2-CE1 4.23Å; F173-Y251 AromaticContact CZ-CD1 3.6Å; F173-Y251 HydrophobicContact CZ-CD1 3.6Å; F173-Y251 AromaticContact CZ-CE1 3.62Å; F173-Y251 HydrophobicContact CZ-CE1 3.62Å; F173-Y251 HydrophobicContact CZ-CG 4.32Å; F173-L255 HydrophobicContact CE1-CD1 3.78Å; F173-L255 HydrophobicContact CZ-CD1 4.45Å; F173-L297 HydrophobicContact CD1-CD1 3.97Å; F173-L297 HydrophobicContact CE1-CD1 3.69Å; F173-P309 HydrophobicContact CB-CB 4.48Å; F173-I311 HydrophobicContact CD1-CG2 4.4Å
174P89.9Confident92.3Very high3 Ų343.5 Ų43.52%0.01920%0.201CC..THydrogen-bonded Turncis-91.913.67.738.5-38.7000114.9D176 A248 Y251 I256P174-D176 VanDerWaalsContact C-N 3.26Å; P174-D176 PolarHBondContact O-N 3.15Å; P174-A248 HydrophobicContact CB-CB 4.27Å; P174-A248 HydrophobicContact CG-CB 4.15Å; P174-A248 WeakPolarHBondContact O-CB 3.28Å; P174-Y251 VanDerWaalsContact CB-CB 3.49Å; P174-Y251 HydrophobicContact CB-CD2 4.11Å; P174-Y251 HydrophobicContact CB-CG 3.83Å; P174-I256 HydrophobicContact CG-CD1 4.33Å
175Y90.5Very high92.2Very high133 Ų13343.5 Ų43.552%0.52220%0.201SC..SBendtrans-95.743.4177.2-59.2-89.8000110.7Y172 A248 N252 I256Y172-Y175 CarbonylContact O-C 3.58Å; Y172-Y175 WeakPolarHBondContact O-CA 3.39Å; Y172-Y175 PolarHBondContact O-N 2.99Å; Y175-A248 HydrophobicContact CD1-CB 3.91Å; Y175-A248 HydrophobicContact CE1-CB 3.81Å; Y175-A248 HydrophobicContact CG-CB 4.39Å; Y175-N252 VanDerWaalsContact OH-CG 3.24Å; Y175-N252 PolarHBondContact OH-ND2 2.98Å; Y175-N252 PolarHBondContact OH-OD1 3.47Å; Y175-I256 HydrophobicContact CE2-CD1 4.08Å
176D90.4Very high92.2Very high2 Ų240.7 Ų40.71%0.01118%0.184CC..  trans-92.9135.3-173.556.8-63.6000113.2P174 Q178 R246P174-D176 VanDerWaalsContact C-N 3.26Å; P174-D176 PolarHBondContact O-N 3.15Å; D176-Q178 PolarHBondContact OD2-NE2 2.91Å; D176-R246 PolarHBondContact O-N 3.48Å; D176-R246 IonicContact OD1-CZ 3.25Å; D176-R246 IonicContact OD1-NE 2.73Å; D176-R246 PolarHBondContact OD1-NE 2.85Å; D176-R246 IonicContact OD1-NH2 3.8Å; D176-R246 IonicContact OD2-CZ 2.72Å; D176-R246 IonicContact OD2-NE 2.84Å; D176-R246 PolarHBondContact OD2-NE 3.32Å; D176-R246 IonicContact OD2-NH2 3.99Å; D176-R246 PolarHBondContact OD2-NH2 3.3Å
177K93.3Very high92Very high75 Ų7547.9 Ų47.933%0.32621%0.211SC..EExtended strand (participates in β ladder)trans-107.8112.4174.4-63.9172.9-176.1174.70108L217 I244 E245 D799K177-L217 HydrophobicContact CD-CD1 4.38Å; K177-L217 HydrophobicContact CG-CD1 4.37Å; K177-I244 CarbonylContact C-O 3.58Å; K177-I244 WeakPolarHBondContact CA-O 3.33Å; K177-E245 WeakPolarHBondContact CE-OE1 3.49Å; K177-E245 HydrophobicContact CG-CB 4.36Å; K177-E245 HydrophobicContact CG-CG 4.2Å; K177-E245 WeakPolarHBondContact CG-OE1 3.45Å; K177-D799 IonicContact NZ-OD1 2.67Å; K177-D799 PolarHBondContact NZ-OD1 3.22Å; K177-D799 IonicContact NZ-OD2 2.76Å
178Q94.4Very high92Very high2 Ų248.3 Ų48.31%0.00921%0.212CC..EExtended strand (participates in β ladder)trans-99.1150.7-179.8-52.3-56-2000111.4L81 V168 K169 D176 W214 K243 I244L81-Q178 HydrophobicContact CD2-CG 4.14Å; V168-Q178 HydrophobicContact CG1-CG 4.34Å; K169-Q178 PolarHBondContact O-NE2 3.35Å; D176-Q178 PolarHBondContact OD2-NE2 2.91Å; Q178-W214 HydrophobicContact CG-CH2 4.03Å; Q178-W214 HydrophobicContact CG-CZ3 4.01Å; Q178-K243 CarbonylContact O-C 3.53Å; Q178-K243 WeakPolarHBondContact O-CA 3.34Å; Q178-I244 HydrophobicContact CB-CD1 4.35Å; Q178-I244 HydrophobicContact CB-CG1 3.83Å; Q178-I244 PolarHBondContact N-O 3.32Å; Q178-I244 PolarHBondContact O-N 3.28Å
179V95.4Very high92.1Very high61 Ų6149.8 Ų49.837%0.3722%0.217SC..EExtended strand (participates in β ladder)trans-128.9101.9173.8179.80000108.3W220 F241 K243V179-W220 HydrophobicContact CG1-CH2 3.89Å; V179-W220 HydrophobicContact CG1-CZ2 4.17Å; V179-F241 HydrophobicContact CG1-CD1 4.25Å; V179-K243 HydrophobicContact CG2-CB 4.2Å; V179-K243 HydrophobicContact CG2-CD 4.31Å; V179-K243 HydrophobicContact CG2-CG 3.97Å
180C96.5Very high92.2Very high0 Ų044.2 Ų44.20%019%0.194CC..EExtended strand (participates in β ladder)trans-99.5157.5175.7-60.90000110.6L88 C166 F241 I242L88-C180 HydrophobicContact CD2-CB 3.49Å; L88-C180 VanDerWaalsContact CD2-CB 3.49Å; C166-C180 HydrophobicContact CB-CB 3.74Å; C166-C180 WeakPolarHBondContact CB-SG 3.11Å; C166-C180 WeakPolarHBondContact SG-CA 3.33Å; C166-C180 WeakPolarHBondContact SG-CB 3.36Å; C166-C180 CovalentContact SG-SG 2.03Å; C166-C180 PolarHBondContact SG-SG 2.73Å; C180-F241 WeakPolarHBondContact O-CA 3.31Å; C180-I242 PolarHBondContact N-O 2.92Å; C180-I242 PolarHBondContact O-N 3.01Å
181Y96.1Very high92.4Very high76 Ų7645.1 Ų45.130%0.29820%0.2SC..EExtended strand (participates in β ladder)trans-140148.1173.965.1-89.6000112.2N132 R183 L239 F240 F241N132-Y181 PolarHBondContact ND2-O 3.1Å; Y181-R183 HydrophobicContact CD2-CB 4.34Å; Y181-R183 HydrophobicContact CE2-CB 4.45Å; Y181-L239 HydrophobicContact CD2-CD2 4.14Å; Y181-F240 CarbonylContact C-O 3.6Å; Y181-F240 WeakPolarHBondContact CA-O 3.28Å; Y181-F241 HydrophobicContact CD1-CE1 4.33Å; Y181-F241 HydrophobicContact CG-CE1 4.23Å
182L96Very high92.6Very high2 Ų240.8 Ų40.81%0.0118%0.183CC..EExtended strand (participates in β ladder)trans-113.5126.4167.9-58.6101.4000108.7V90 L130 Y162 F184 L239 F240 I242V90-L182 HydrophobicContact CG2-CD1 4.38Å; V90-L182 HydrophobicContact CG2-CD2 3.84Å; L130-L182 HydrophobicContact CD1-CB 3.89Å; L130-L182 HydrophobicContact CD1-CD2 4.26Å; Y162-L182 HydrophobicContact CG-CD2 4.37Å; L182-F184 HydrophobicContact CB-CD2 4.2Å; L182-F184 HydrophobicContact CB-CE2 3.62Å; L182-F184 HydrophobicContact CD2-CE2 4.27Å; L182-F184 HydrophobicContact CD2-CZ 4.48Å; L182-L239 WeakPolarHBondContact O-CA 3.41Å; L182-F240 PolarHBondContact N-O 2.76Å; L182-F240 PolarHBondContact O-N 2.96Å; L182-I242 HydrophobicContact CD1-CD1 4.27Å
183R95.7Very high92.7Very high53 Ų5340.4 Ų40.420%0.218%0.181CC..EExtended strand (participates in β ladder)trans-110.5110-174.7179.3178.7-175.2-137.8-4.2109.8L130 Y131 N132 Y181 Y228 D237 L239L130-R183 CarbonylContact C-O 3.36Å; Y131-R183 HydrophobicContact CD2-CG 3.9Å; Y131-R183 HydrophobicContact CG-CG 4.39Å; Y131-R183 PolarHBondContact N-O 3.49Å; N132-R183 WeakPolarHBondContact OD1-CB 3.37Å; N132-R183 PolarHBondContact OD1-N 3.05Å; Y181-R183 HydrophobicContact CD2-CB 4.34Å; Y181-R183 HydrophobicContact CE2-CB 4.45Å; R183-Y228 PolarHBondContact NH2-OH 3.33Å; R183-D237 IonicContact CZ-OD2 3.44Å; R183-D237 IonicContact NE-OD2 2.66Å; R183-D237 PolarHBondContact NE-OD2 2.98Å; R183-D237 IonicContact NH2-OD2 3.91Å; R183-D237 PolarHBondContact NH2-OD2 2.97Å; R183-L239 HydrophobicContact CB-CD2 4.44Å; R183-L239 HydrophobicContact CB-CG 4.26Å; R183-L239 HydrophobicContact CG-CD2 4.35Å; R183-L239 HydrophobicContact CG-CG 4.08Å
184F95.6Very high93Very high0 Ų040 Ų400%018%0.179CC..EExtended strand (participates in β ladder)trans-110.7139.8-178.3-72.5-86.7000112F71 L73 I128 A129 L130 Y162 L182 D237 T238 F240F71-F184 HydrophobicContact CD1-CB 4.23Å; F71-F184 HydrophobicContact CE1-CB 3.54Å; F71-F184 HydrophobicContact CE1-CD1 4.04Å; F71-F184 AromaticContact CE1-CD2 3.85Å; F71-F184 HydrophobicContact CE1-CD2 3.85Å; F71-F184 AromaticContact CE1-CG 3.54Å; F71-F184 HydrophobicContact CE1-CG 3.54Å; F71-F184 HydrophobicContact CZ-CB 4.2Å; F71-F184 AromaticContact CZ-CD1 3.85Å; F71-F184 HydrophobicContact CZ-CD1 3.85Å; F71-F184 HydrophobicContact CZ-CD2 4.23Å; F71-F184 HydrophobicContact CZ-CE1 4.26Å; F71-F184 AromaticContact CZ-CG 3.84Å; F71-F184 HydrophobicContact CZ-CG 3.84Å; L73-F184 HydrophobicContact CD1-CD2 4.27Å; L73-F184 HydrophobicContact CD1-CE2 3.74Å; L73-F184 HydrophobicContact CD2-CE2 4.15Å; L73-F184 HydrophobicContact CD2-CZ 4.35Å; L73-F184 HydrophobicContact CG-CE2 4.47Å; I128-F184 HydrophobicContact CG2-CB 3.9Å; I128-F184 HydrophobicContact CG2-CD1 4.22Å; A129-F184 WeakPolarHBondContact O-CA 3.33Å; L130-F184 HydrophobicContact CB-CD1 4.25Å; L130-F184 HydrophobicContact CB-CE1 3.79Å; L130-F184 HydrophobicContact CB-CZ 4.21Å; L130-F184 HydrophobicContact CD1-CD2 4.39Å; L130-F184 HydrophobicContact CD1-CE1 4.24Å; L130-F184 HydrophobicContact CD1-CE2 3.99Å; L130-F184 HydrophobicContact CD1-CZ 3.9Å; Y162-F184 HydrophobicContact CD1-CE1 4.15Å; Y162-F184 AromaticContact CD1-CZ 3.96Å; Y162-F184 HydrophobicContact CD1-CZ 3.96Å; Y162-F184 AromaticContact CD2-CZ 3.89Å; Y162-F184 HydrophobicContact CD2-CZ 3.89Å; Y162-F184 AromaticContact CE1-CE1 3.62Å; Y162-F184 HydrophobicContact CE1-CE1 3.62Å; Y162-F184 AromaticContact CE1-CZ 3.79Å; Y162-F184 HydrophobicContact CE1-CZ 3.79Å; Y162-F184 HydrophobicContact CE2-CE1 4.15Å; Y162-F184 AromaticContact CE2-CZ 3.72Å; Y162-F184 HydrophobicContact CE2-CZ 3.72Å; Y162-F184 HydrophobicContact CG-CZ 4.03Å; Y162-F184 AromaticContact CZ-CE1 3.64Å; Y162-F184 AromaticContact CZ-CZ 3.69Å; L182-F184 HydrophobicContact CB-CD2 4.2Å; L182-F184 HydrophobicContact CB-CE2 3.62Å; L182-F184 HydrophobicContact CD2-CE2 4.27Å; L182-F184 HydrophobicContact CD2-CZ 4.48Å; F184-D237 CarbonylContact O-C 3.56Å; F184-D237 WeakPolarHBondContact O-CA 3.21Å; F184-T238 PolarHBondContact N-O 3.43Å; F184-T238 PolarHBondContact O-N 2.92Å; F184-F240 AromaticContact CD2-CD2 3.96Å; F184-F240 HydrophobicContact CD2-CD2 3.96Å; F184-F240 HydrophobicContact CD2-CE2 4.14Å
185G94.2Very high93.1Very high0 Ų041.7 Ų41.70%019%0.188CC..EExtended strand (participates in β ladder)trans-163.4166.7173.700000112.8I128 A129 Y131I128-G185 CarbonylContact C-O 3.59Å; I128-G185 WeakPolarHBondContact CA-O 3.46Å; A129-G185 PolarHBondContact N-O 2.85Å; A129-G185 PolarHBondContact O-N 3.22Å; A129-G185 VanDerWaalsContact O-N 3.16Å; Y131-G185 WeakPolarHBondContact CE1-O 3.36Å; Y131-G185 VanDerWaalsContact OH-C 3.23Å; Y131-G185 VanDerWaalsContact OH-CA 3.32Å; Y131-G185 WeakPolarHBondContact OH-CA 3.45Å
186P94Very high93.3Very high0 Ų035.4 Ų35.40%016%0.163CC..EExtended strand (participates in β ladder)trans-70.6128.7178.1-4.822.7000109.3D127 Y131 F189 V194 I196 S236D127-P186 WeakPolarHBondContact OD1-CB 3.38Å; Y131-P186 PolarHBondContact OH-O 2.94Å; P186-F189 HydrophobicContact CB-CB 4.22Å; P186-V194 HydrophobicContact CB-CB 4.41Å; P186-V194 HydrophobicContact CB-CG1 4.29Å; P186-V194 HydrophobicContact CG-CB 4.32Å; P186-V194 HydrophobicContact CG-CG1 4.05Å; P186-I196 HydrophobicContact CG-CD1 3.88Å; P186-I196 HydrophobicContact CG-CG1 4.07Å; P186-S236 VanDerWaalsContact CD-O 3.23Å; P186-S236 WeakPolarHBondContact CD-O 3.41Å
187W89.9Confident93.4Very high153 Ų15337.9 Ų37.958%0.5818%0.178SC*.SBendtrans-73.4-37.3-172.7-169.5-99.2000113.8D127 A129 Y131D127-W187 PolarHBondContact O-N 3.18Å; D127-W187 PolarHBondContact OD2-N 3.21Å; A129-W187 HydrophobicContact CB-CB 4.4Å; A129-W187 HydrophobicContact CB-CE3 4.15Å; Y131-W187 AromaticContact CD1-CE3 3.95Å; Y131-W187 HydrophobicContact CD1-CE3 3.95Å; Y131-W187 AromaticContact CD1-CZ3 3.94Å; Y131-W187 HydrophobicContact CD1-CZ3 3.94Å; Y131-W187 AromaticContact CE1-CE3 3.89Å; Y131-W187 HydrophobicContact CE1-CE3 3.89Å; Y131-W187 HydrophobicContact CE1-CZ3 4.28Å
188T90.8Very high93.5Very high87 Ų8737.6 Ų37.653%0.53418%0.177SC..SBendtrans-111.7-15.8-173.265.10000114.2D127D127-T188 WeakPolarHBondContact OD2-CB 3.41Å; D127-T188 PolarHBondContact OD2-N 3.15Å; D127-T188 PolarHBondContact OD2-OG1 2.96Å
189F91Very high93.5Very high43 Ų4338.5 Ų38.519%0.18918%0.181CC..  trans-106134.3-176-61.1-68.8000112.9R47 W124 D127 P186 R193 V194 Y235R47-F189 HydrophobicContact CG-CE1 4.09Å; R47-F189 HydrophobicContact CG-CZ 3.87Å; W124-F189 HydrophobicContact CZ2-CE2 4.45Å; D127-F189 WeakPolarHBondContact OD1-CD2 3.22Å; P186-F189 HydrophobicContact CB-CB 4.22Å; F189-R193 HydrophobicContact CB-CB 4.25Å; F189-R193 HydrophobicContact CD1-CB 4.02Å; F189-R193 HydrophobicContact CG-CB 4.49Å; F189-V194 HydrophobicContact CB-CB 3.73Å; F189-V194 HydrophobicContact CB-CG2 3.51Å; F189-V194 HydrophobicContact CD1-CG2 4.21Å; F189-V194 HydrophobicContact CD2-CB 4.39Å; F189-V194 HydrophobicContact CD2-CG2 3.47Å; F189-V194 VanDerWaalsContact CD2-CG2 3.47Å; F189-V194 HydrophobicContact CE2-CG2 4.22Å; F189-V194 HydrophobicContact CG-CB 4.25Å; F189-V194 HydrophobicContact CG-CG2 3.46Å; F189-V194 VanDerWaalsContact CG-CG2 3.46Å; F189-Y235 WeakPolarHBondContact O-CD1 3.45Å
190D91.9Very high93.2Very high13 Ų1340.9 Ų40.97%0.0719%0.191CC..  trans-70.8160.1165.463-56.9000111.5A192 R193 V194 E233 Q234D190-A192 PolarHBondContact O-N 3.1Å; D190-A192 WeakPolarHBondContact OD2-CB 3.08Å; D190-R193 PolarHBondContact O-N 2.69Å; D190-R193 WeakPolarHBondContact OD1-CB 3.34Å; D190-R193 WeakPolarHBondContact OD1-CD 3.34Å; D190-R193 WeakPolarHBondContact OD1-CG 3.11Å; D190-R193 IonicContact OD1-CZ 2.7Å; D190-R193 IonicContact OD1-NE 2.69Å; D190-R193 IonicContact OD1-NH1 2.75Å; D190-R193 PolarHBondContact OD1-NH1 3.13Å; D190-R193 IonicContact OD2-NH1 3.14Å; D190-V194 PolarHBondContact O-N 3.37Å; D190-E233 HydrophobicContact CB-CB 3.89Å; D190-E233 HydrophobicContact CB-CG 4.4Å; D190-Q234 WeakPolarHBondContact CB-O 3.31Å
191S91.6Very high92.7Very high22 Ų2247.5 Ų47.515%0.15422%0.223CC..THydrogen-bonded Turntrans-63.4-18.1-174.963.50000114Q66 V194 Q234Q66-S191 PolarHBondContact NE2-O 3.39Å; S191-V194 WeakPolarHBondContact CA-O 3.31Å; S191-Q234 PolarHBondContact N-O 3.36Å; S191-Q234 PolarHBondContact OG-O 3.42Å; S191-Q234 VanDerWaalsContact OG-O 3.13Å
192A90.5Very high92.4Very high8 Ų844 Ų447%0.06621%0.21CC..THydrogen-bonded Turntrans-80-24.6174.200000113V59 Q66 D190V59-A192 HydrophobicContact CG2-CB 3.47Å; V59-A192 VanDerWaalsContact CG2-CB 3.47Å; Q66-A192 WeakPolarHBondContact CA-O 3.34Å; Q66-A192 VanDerWaalsContact CB-O 3.28Å; Q66-A192 WeakPolarHBondContact CB-O 3.43Å; Q66-A192 WeakPolarHBondContact CG-O 3.47Å; D190-A192 PolarHBondContact O-N 3.1Å; D190-A192 WeakPolarHBondContact OD2-CB 3.08Å
193R91.8Very high92.2Very high107 Ų10744.2 Ų44.240%0.40421%0.211SC..THydrogen-bonded Turntrans-90.9-44.7174.7-69.2-178.6-172109.4-4.7112.2R47 V64 I67 F189 D190R47-R193 PolarHBondContact NH1-O 2.82Å; V64-R193 HydrophobicContact CG1-CG 3.81Å; I67-R193 PolarHBondContact N-O 3.19Å; I67-R193 VanDerWaalsContact N-O 3.1Å; F189-R193 HydrophobicContact CB-CB 4.25Å; F189-R193 HydrophobicContact CD1-CB 4.02Å; F189-R193 HydrophobicContact CG-CB 4.49Å; D190-R193 PolarHBondContact O-N 2.69Å; D190-R193 WeakPolarHBondContact OD1-CB 3.34Å; D190-R193 WeakPolarHBondContact OD1-CD 3.34Å; D190-R193 WeakPolarHBondContact OD1-CG 3.11Å; D190-R193 IonicContact OD1-CZ 2.7Å; D190-R193 IonicContact OD1-NE 2.69Å; D190-R193 IonicContact OD1-NH1 2.75Å; D190-R193 PolarHBondContact OD1-NH1 3.13Å; D190-R193 IonicContact OD2-NH1 3.14Å
194V93.1Very high92.1Very high0 Ų042.8 Ų42.80%021%0.209CC..EExtended strand (participates in β ladder)trans-132.4114.9177.5178.90000109I67 V69 P186 F189 D190 S191I67-V194 HydrophobicContact CG2-CB 4.35Å; I67-V194 HydrophobicContact CG2-CG1 4.42Å; I67-V194 HydrophobicContact CG2-CG2 3.75Å; I67-V194 WeakPolarHBondContact O-CA 3.35Å; V69-V194 HydrophobicContact CG2-CG1 4.08Å; P186-V194 HydrophobicContact CB-CB 4.41Å; P186-V194 HydrophobicContact CB-CG1 4.29Å; P186-V194 HydrophobicContact CG-CB 4.32Å; P186-V194 HydrophobicContact CG-CG1 4.05Å; F189-V194 HydrophobicContact CB-CB 3.73Å; F189-V194 HydrophobicContact CB-CG2 3.51Å; F189-V194 HydrophobicContact CD1-CG2 4.21Å; F189-V194 HydrophobicContact CD2-CB 4.39Å; F189-V194 HydrophobicContact CD2-CG2 3.47Å; F189-V194 VanDerWaalsContact CD2-CG2 3.47Å; F189-V194 HydrophobicContact CE2-CG2 4.22Å; F189-V194 HydrophobicContact CG-CB 4.25Å; F189-V194 HydrophobicContact CG-CG2 3.46Å; F189-V194 VanDerWaalsContact CG-CG2 3.46Å; D190-V194 PolarHBondContact O-N 3.37Å; S191-V194 WeakPolarHBondContact CA-O 3.31Å
195N92.8Very high91.9Very high39 Ų3944.5 Ų44.521%0.20922%0.217CC..EExtended strand (participates in β ladder)trans-102.5129.7177.4-176.922000110.3Q66 I67 T68 V69Q66-N195 VanDerWaalsContact CD-CB 3.42Å; Q66-N195 HydrophobicContact CG-CB 3.94Å; I67-N195 PolarHBondContact O-N 3.18Å; T68-N195 WeakPolarHBondContact CA-O 3.38Å; V69-N195 PolarHBondContact N-O 3.42Å
196I93.6Very high91.8Very high1 Ų152.4 Ų52.41%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-94.4124.3174-62.6-178.8000109.8V69 F71 I128 P186 H223 T238V69-I196 WeakPolarHBondContact O-CA 3.33Å; F71-I196 HydrophobicContact CB-CG2 3.82Å; I128-I196 HydrophobicContact CD1-CD1 3.68Å; I128-I196 HydrophobicContact CD1-CG1 3.96Å; I128-I196 HydrophobicContact CG1-CD1 3.86Å; I128-I196 HydrophobicContact CG1-CG1 4.44Å; I128-I196 HydrophobicContact CG2-CD1 4.18Å; P186-I196 HydrophobicContact CG-CD1 3.88Å; P186-I196 HydrophobicContact CG-CG1 4.07Å; I196-H223 PolarHBondContact O-CE1 3.32Å; I196-H223 PolarHBondContact O-ND1 3.45Å; I196-T238 WeakPolarHBondContact CG2-OG1 3.38Å
197T94Very high91.7Very high53 Ų5355.8 Ų55.833%0.32527%0.27SS..EExtended strand (participates in β ladder)trans-111.6170.9166.853.90000110.2T68 V69 A70 F71T68-T197 HydrophobicContact CG2-CG2 3.67Å; T68-T197 WeakPolarHBondContact CG2-OG1 3.25Å; V69-T197 PolarHBondContact O-N 2.96Å; A70-T197 CarbonylContact C-O 3.58Å; A70-T197 WeakPolarHBondContact CA-O 3.25Å; A70-T197 WeakPolarHBondContact CA-OG1 3.5Å; F71-T197 PolarHBondContact N-O 2.93Å
198F95.3Very high91.9Very high69 Ų6950.8 Ų50.830%0.30325%0.251SS..EExtended strand (participates in β ladder)trans-77.6134.3174.4-70.4-65.9000111.4F71 D200 Q221 H223 T238F71-F198 WeakPolarHBondContact O-CA 3.48Å; F198-D200 PolarHBondContact O-N 2.9Å; F198-Q221 HydrophobicContact CD1-CG 3.93Å; F198-Q221 HydrophobicContact CE1-CB 3.63Å; F198-Q221 HydrophobicContact CE1-CG 3.33Å; F198-Q221 HydrophobicContact CE2-CG 4.36Å; F198-Q221 HydrophobicContact CZ-CB 3.98Å; F198-Q221 HydrophobicContact CZ-CG 3.59Å; F198-H223 HydrophobicContact CE2-CB 4.02Å; F198-H223 HydrophobicContact CZ-CB 4.08Å; F198-T238 HydrophobicContact CD1-CG2 4.03Å; F198-T238 HydrophobicContact CE1-CG2 3.27Å; F198-T238 HydrophobicContact CZ-CG2 3.89Å
199Y94.1Very high92.1Very high21 Ų2150.6 Ų50.68%0.08225%0.25CC..EExtended strand (participates in β ladder)trans-73.3109.7165.2-171.9-66.1000108.6F71 L95 R97 E155 H157 E201 G202F71-Y199 PolarHBondContact O-N 2.83Å; L95-Y199 HydrophobicContact CB-CD1 4.12Å; L95-Y199 HydrophobicContact CB-CD2 3.76Å; L95-Y199 HydrophobicContact CB-CE1 4.43Å; L95-Y199 HydrophobicContact CB-CE2 4.06Å; L95-Y199 HydrophobicContact CB-CG 3.8Å; L95-Y199 HydrophobicContact CD1-CD1 3.93Å; L95-Y199 HydrophobicContact CD1-CE1 4.11Å; L95-Y199 HydrophobicContact CD1-CG 4.42Å; R97-Y199 HydrophobicContact CB-CD2 3.81Å; R97-Y199 HydrophobicContact CB-CE2 3.71Å; R97-Y199 VanDerWaalsContact NH2-CZ 3.25Å; R97-Y199 PolarHBondContact NH2-OH 3.44Å; E155-Y199 PolarHBondContact OE1-OH 2.91Å; H157-Y199 PolarHBondContact CE1-OH 3.38Å; H157-Y199 VanDerWaalsContact CE1-OH 3.27Å; H157-Y199 AromaticContact NE2-CE2 3.4Å; H157-Y199 WeakPolarHBondContact NE2-CE2 3.25Å; H157-Y199 AromaticContact NE2-CZ 3.53Å; H157-Y199 PolarHBondContact NE2-OH 3.4Å; H157-Y199 VanDerWaalsContact NE2-OH 3.14Å; Y199-E201 PolarHBondContact O-N 2.94Å; Y199-E201 VanDerWaalsContact O-N 3.12Å; Y199-G202 WeakPolarHBondContact O-CA 3.47Å; Y199-G202 PolarHBondContact O-N 2.89Å
200D88.9Confident92.2Very high111 Ų11156.6 Ų56.659%0.59428%0.278SS*.EExtended strand (participates in β ladder)trans52-109.8-177-53.4-11.1000112.2R97 F198 G202R97-D200 IonicContact CZ-OD1 3.32Å; R97-D200 IonicContact NH1-OD1 3.85Å; R97-D200 PolarHBondContact NH1-OD1 3.1Å; R97-D200 IonicContact NH2-OD1 2.69Å; F198-D200 PolarHBondContact O-N 2.9Å; D200-G202 VanDerWaalsContact C-N 3.31Å
201E86.5Confident92.2Very high140 Ų14056.9 Ų56.965%0.65428%0.281SS*.EExtended strand (participates in β ladder)trans-83-4.7175.6-65.3175149.700113.2Y199 F203 Q221Y199-E201 PolarHBondContact O-N 2.94Å; Y199-E201 VanDerWaalsContact O-N 3.12Å; E201-F203 VanDerWaalsContact C-N 3.29Å; E201-F203 PolarHBondContact O-N 2.86Å; E201-F203 VanDerWaalsContact O-N 3.1Å; E201-Q221 PolarHBondContact O-NE2 3.02Å
202G88.4Confident92.1Very high3 Ų361.6 Ų61.63%0.03131%0.311CS..EExtended strand (participates in β ladder)trans82.8-57.7-177.500000113.5G72 L73 Y199 D200 F240G72-G202 CarbonylContact C-O 3.58Å; G72-G202 WeakPolarHBondContact CA-O 3.46Å; L73-G202 PolarHBondContact N-O 3.3Å; Y199-G202 WeakPolarHBondContact O-CA 3.47Å; Y199-G202 PolarHBondContact O-N 2.89Å; D200-G202 VanDerWaalsContact C-N 3.31Å; G202-F240 WeakPolarHBondContact O-CE1 3.48Å
203F92.9Very high92.2Very high6 Ų663.7 Ų63.73%0.02632%0.319CS..EExtended strand (participates in β ladder)trans-118.6114.4-177-156173.8000111.4L73 L75 E201 Y219 F240 I242L73-F203 HydrophobicContact CB-CD2 4.15Å; L73-F203 HydrophobicContact CB-CE2 4.18Å; L73-F203 WeakPolarHBondContact O-CD2 3.19Å; L75-F203 HydrophobicContact CB-CE2 4.01Å; E201-F203 VanDerWaalsContact C-N 3.29Å; E201-F203 PolarHBondContact O-N 2.86Å; E201-F203 VanDerWaalsContact O-N 3.1Å; F203-Y219 HydrophobicContact CB-CD2 4.33Å; F203-Y219 HydrophobicContact CD1-CD2 4.15Å; F203-Y219 HydrophobicContact CG-CD2 4.2Å; F203-F240 HydrophobicContact CB-CD1 3.95Å; F203-F240 HydrophobicContact CB-CE1 4.34Å; F203-F240 HydrophobicContact CD1-CB 4.14Å; F203-F240 AromaticContact CD1-CD1 3.99Å; F203-F240 HydrophobicContact CD1-CD1 3.99Å; F203-F240 HydrophobicContact CD2-CD1 4.42Å; F203-F240 HydrophobicContact CE1-CB 4Å; F203-F240 AromaticContact CG-CD1 3.89Å; F203-F240 HydrophobicContact CG-CD1 3.89Å; F203-F240 HydrophobicContact CZ-CB 4.5Å; F203-I242 HydrophobicContact CE1-CG1 3.83Å; F203-I242 HydrophobicContact CZ-CD1 4.02Å; F203-I242 HydrophobicContact CZ-CG1 3.76Å
204S92.4Very high92.3Very high23 Ų2358.7 Ų58.716%0.16130%0.301CS..EExtended strand (participates in β ladder)trans-107.9139.5-179.1-148.10000112.9L73 G74 L75 K206L73-S204 PolarHBondContact O-N 3.49Å; G74-S204 CarbonylContact C-O 3.59Å; G74-S204 VanDerWaalsContact CA-O 3.31Å; G74-S204 WeakPolarHBondContact CA-O 3.44Å; L75-S204 PolarHBondContact N-O 3.31Å; S204-K206 WeakPolarHBondContact OG-CD 3.34Å; S204-K206 WeakPolarHBondContact OG-CG 3.48Å
205M92.5Very high92.4Very high35 Ų3560.3 Ų60.317%0.17231%0.312CS..  trans-113.813.6175.5-65.9-69.7-70.200112.3L75 D207 Y208 V216 Y219L75-M205 HydrophobicContact CB-SD 3.79Å; L75-M205 HydrophobicContact CD2-CE 4.06Å; L75-M205 HydrophobicContact CD2-SD 3.81Å; L75-M205 HydrophobicContact CG-SD 4.37Å; M205-D207 VanDerWaalsContact C-N 3.29Å; M205-D207 PolarHBondContact O-N 2.95Å; M205-Y208 HydrophobicContact CE-CD1 3.55Å; M205-Y208 HydrophobicContact CE-CD2 3.89Å; M205-Y208 HydrophobicContact CE-CE1 4.03Å; M205-Y208 HydrophobicContact CE-CE2 4.34Å; M205-Y208 HydrophobicContact CE-CG 3.47Å; M205-Y208 VanDerWaalsContact CE-CG 3.47Å; M205-Y208 VanDerWaalsContact O-CB 3.29Å; M205-Y208 WeakPolarHBondContact O-CB 3.42Å; M205-Y208 PolarHBondContact O-N 3.02Å; M205-Y208 HydrophobicContact SD-CG 4.5Å; M205-V216 HydrophobicContact CE-CB 4.32Å; M205-V216 HydrophobicContact CE-CG1 4.1Å; M205-V216 HydrophobicContact CE-CG2 4.22Å; M205-Y219 HydrophobicContact CB-CE1 4.43Å; M205-Y219 HydrophobicContact CG-CD1 3.76Å; M205-Y219 HydrophobicContact CG-CD2 3.91Å; M205-Y219 HydrophobicContact CG-CE1 3.55Å; M205-Y219 HydrophobicContact CG-CE2 3.68Å; M205-Y219 HydrophobicContact CG-CG 3.95Å; M205-Y219 VanDerWaalsContact CG-CZ 3.5Å; M205-Y219 HydrophobicContact SD-CD1 4.36Å; M205-Y219 HydrophobicContact SD-CG 4.39Å
206K91.2Very high92.5Very high167 Ų16760.1 Ų60.173%0.72631%0.312SS*.THydrogen-bonded Turntrans-61.6-34.2-173.4-69.9171-176168.80113.7S204S204-K206 WeakPolarHBondContact OG-CD 3.34Å; S204-K206 WeakPolarHBondContact OG-CG 3.48Å
207D91.6Very high92.5Very high71 Ų7163.9 Ų63.938%0.3833%0.332SS..THydrogen-bonded Turntrans-101.914.1-177.8-65.322.4000111.9R93 M205 V209R93-D207 IonicContact CZ-OD2 3.93Å; R93-D207 IonicContact NH1-OD2 3.59Å; R93-D207 PolarHBondContact NH1-OD2 2.91Å; R93-D207 IonicContact NH2-OD2 3.18Å; R93-D207 PolarHBondContact NH2-OD2 2.69Å; M205-D207 VanDerWaalsContact C-N 3.29Å; M205-D207 PolarHBondContact O-N 2.95Å; D207-V209 PolarHBondContact O-N 3.3Å
208Y95.1Very high92.5Very high47 Ų4765.3 Ų65.318%0.18434%0.337CS..PPolyproline II helixtrans-75125.8-172.5179.6-113.9000113.1L75 I76 I78 M205 E210 S211 V216L75-Y208 HydrophobicContact CB-CD2 4.49Å; L75-Y208 HydrophobicContact CD2-CD2 3.79Å; L75-Y208 HydrophobicContact CD2-CE2 3.79Å; L75-Y208 HydrophobicContact CG-CD2 3.81Å; L75-Y208 HydrophobicContact CG-CE2 4.14Å; L75-Y208 WeakPolarHBondContact O-CA 3.35Å; L75-Y208 PolarHBondContact O-N 3Å; I76-Y208 WeakPolarHBondContact O-CA 3.46Å; I78-Y208 HydrophobicContact CG1-CE2 4.47Å; M205-Y208 HydrophobicContact CE-CD1 3.55Å; M205-Y208 HydrophobicContact CE-CD2 3.89Å; M205-Y208 HydrophobicContact CE-CE1 4.03Å; M205-Y208 HydrophobicContact CE-CE2 4.34Å; M205-Y208 HydrophobicContact CE-CG 3.47Å; M205-Y208 VanDerWaalsContact CE-CG 3.47Å; M205-Y208 VanDerWaalsContact O-CB 3.29Å; M205-Y208 WeakPolarHBondContact O-CB 3.42Å; M205-Y208 PolarHBondContact O-N 3.02Å; M205-Y208 HydrophobicContact SD-CG 4.5Å; Y208-E210 HydrophobicContact CE1-CG 4.22Å; Y208-S211 PolarHBondContact OH-N 3.03Å; Y208-V216 HydrophobicContact CE1-CG2 4.16Å; Y208-V216 HydrophobicContact CE2-CG2 4.41Å
209V95.3Very high92.5Very high84 Ų8466.8 Ų66.851%0.50934%0.342SS..PPolyproline II helixtrans-97.1122.1169.7-178.10000109.1I76 D207 S211I76-V209 PolarHBondContact O-N 3.29Å; D207-V209 PolarHBondContact O-N 3.3Å; V209-S211 PolarHBondContact O-N 3.13Å
210E92.9Very high92.6Very high169 Ų16969.9 Ų69.979%0.7935%0.353SS*.PPolyproline II helixtrans-58.5128.4179.4-64.2-176.7166.200112.1Y208Y208-E210 HydrophobicContact CE1-CG 4.22Å
211S91.4Very high92.9Very high18 Ų1867.8 Ų67.813%0.12634%0.34CS..PPolyproline II helixtrans-76.5136.8173.4176.50000110.8Y208 V209 E213 W214Y208-S211 PolarHBondContact OH-N 3.03Å; V209-S211 PolarHBondContact O-N 3.13Å; S211-E213 PolarHBondContact O-N 3.34Å; S211-E213 PolarHBondContact OG-N 3.38Å; S211-W214 PolarHBondContact OG-N 2.94Å
212P91Very high93.3Very high121 Ų12167.3 Ų67.379%0.78634%0.336SS*.SBendtrans-69.2-16.217829.8-36.5000113.5
213E91.5Very high93.5Very high52 Ų5270.1 Ų70.124%0.24335%0.348CS..SBendtrans-101.8-33.7176.7-170.6-170.7-172.200112.6S211 R246 Q247 Y251S211-E213 PolarHBondContact O-N 3.34Å; S211-E213 PolarHBondContact OG-N 3.38Å; E213-R246 HydrophobicContact CG-CG 4.26Å; E213-R246 IonicContact OE1-CZ 3.94Å; E213-R246 IonicContact OE1-NH1 2.78Å; E213-R246 PolarHBondContact OE1-NH1 2.9Å; E213-Q247 WeakPolarHBondContact O-CB 3.43Å; E213-Q247 WeakPolarHBondContact O-CG 3.39Å; E213-Q247 PolarHBondContact O-N 3.34Å; E213-Y251 PolarHBondContact OE1-OH 3.03Å
214W94.4Very high93.5Very high2 Ų274.9 Ų74.91%0.00837%0.366CS..EExtended strand (participates in β ladder)trans-123.1112-167-64.498.9000113.1I78 L81 Q178 S211 I244 R246I78-W214 HydrophobicContact CD1-CB 4.43Å; L81-W214 HydrophobicContact CB-CZ2 4.08Å; L81-W214 HydrophobicContact CD2-CH2 3.77Å; L81-W214 HydrophobicContact CD2-CZ2 3.73Å; L81-W214 HydrophobicContact CG-CZ2 4.49Å; Q178-W214 HydrophobicContact CG-CH2 4.03Å; Q178-W214 HydrophobicContact CG-CZ3 4.01Å; S211-W214 PolarHBondContact OG-N 2.94Å; W214-I244 HydrophobicContact CD2-CD1 3.82Å; W214-I244 HydrophobicContact CD2-CG1 4.35Å; W214-I244 HydrophobicContact CE3-CB 3.95Å; W214-I244 HydrophobicContact CE3-CD1 3.55Å; W214-I244 HydrophobicContact CE3-CG1 3.6Å; W214-I244 HydrophobicContact CG-CD1 4.32Å; W214-I244 HydrophobicContact CZ3-CD1 3.92Å; W214-I244 HydrophobicContact CZ3-CG1 3.88Å; W214-R246 HydrophobicContact CE3-CB 4.22Å; W214-R246 HydrophobicContact CH2-CB 4.19Å; W214-R246 HydrophobicContact CH2-CG 4.4Å; W214-R246 VanDerWaalsContact CH2-CZ 3.47Å; W214-R246 HydrophobicContact CZ3-CB 3.84Å; W214-R246 HydrophobicContact CZ3-CG 4.44Å
215S94.5Very high93.5Very high34 Ų3476.9 Ų76.924%0.23838%0.377CS..EExtended strand (participates in β ladder)trans-85.3125168.2340000110.7L217 I244 E245 Q247S215-L217 PolarHBondContact O-N 2.98Å; S215-I244 CarbonylContact O-C 3.56Å; S215-I244 WeakPolarHBondContact O-CA 3.42Å; S215-E245 PolarHBondContact N-O 3.14Å; S215-E245 PolarHBondContact O-N 3.07Å; S215-E245 PolarHBondContact OG-O 3.22Å; S215-Q247 PolarHBondContact OG-NE2 3.29Å
216V95.1Very high93.4Very high35 Ų3578.9 Ų78.921%0.21239%0.386CS..EExtended strand (participates in β ladder)trans-78.1117.3173.7178.30000108.8I78 M205 Y208 Y219 I242 I244I78-V216 HydrophobicContact CD1-CG2 3.79Å; M205-V216 HydrophobicContact CE-CB 4.32Å; M205-V216 HydrophobicContact CE-CG1 4.1Å; M205-V216 HydrophobicContact CE-CG2 4.22Å; Y208-V216 HydrophobicContact CE1-CG2 4.16Å; Y208-V216 HydrophobicContact CE2-CG2 4.41Å; V216-Y219 HydrophobicContact CG1-CD1 4.39Å; V216-I242 HydrophobicContact CG1-CG2 4.05Å; V216-I242 HydrophobicContact CG2-CG2 4.24Å; V216-I244 HydrophobicContact CG2-CG2 4.11Å
217L93.8Very high93.3Very high81 Ų8173 Ų7342%0.42437%0.368SS..EExtended strand (participates in β ladder)trans-88.5-38.1179.4-68.6-176000112.9K177 S215 K243 E245K177-L217 HydrophobicContact CD-CD1 4.38Å; K177-L217 HydrophobicContact CG-CD1 4.37Å; S215-L217 PolarHBondContact O-N 2.98Å; L217-K243 HydrophobicContact CB-CG 4.32Å; L217-K243 PolarHBondContact N-O 3.16Å; L217-E245 HydrophobicContact CD1-CB 3.73Å; L217-E245 HydrophobicContact CD1-CG 4.47Å; L217-E245 HydrophobicContact CD2-CB 4.31Å; L217-E245 HydrophobicContact CG-CB 3.85Å
218N94.7Very high93.2Very high82 Ų8272.6 Ų72.644%0.43936%0.362SS..EExtended strand (participates in β ladder)trans-158.7151.9-179.9-167.725.8000110.2W220 K243N218-W220 HydrophobicContact CB-CE3 4.28Å; N218-W220 HydrophobicContact CB-CZ3 4.14Å; N218-W220 VanDerWaalsContact ND2-CE3 3.34Å; N218-K243 HydrophobicContact CB-CB 4.31Å; N218-K243 PolarHBondContact N-O 2.94Å; N218-K243 PolarHBondContact O-N 3.47Å
219Y95Very high93Very high100 Ų10077 Ų7739%0.39240%0.397SS..EExtended strand (participates in β ladder)trans-140.2140.6174.457.6-81.3000108.5F203 M205 V216 F241F203-Y219 HydrophobicContact CB-CD2 4.33Å; F203-Y219 HydrophobicContact CD1-CD2 4.15Å; F203-Y219 HydrophobicContact CG-CD2 4.2Å; M205-Y219 HydrophobicContact CB-CE1 4.43Å; M205-Y219 HydrophobicContact CG-CD1 3.76Å; M205-Y219 HydrophobicContact CG-CD2 3.91Å; M205-Y219 HydrophobicContact CG-CE1 3.55Å; M205-Y219 HydrophobicContact CG-CE2 3.68Å; M205-Y219 HydrophobicContact CG-CG 3.95Å; M205-Y219 VanDerWaalsContact CG-CZ 3.5Å; M205-Y219 HydrophobicContact SD-CD1 4.36Å; M205-Y219 HydrophobicContact SD-CG 4.39Å; V216-Y219 HydrophobicContact CG1-CD1 4.39Å; Y219-F241 VanDerWaalsContact CA-O 3.31Å; Y219-F241 WeakPolarHBondContact CA-O 3.46Å
220W95.8Very high92.9Very high86 Ų8678.1 Ų78.133%0.32641%0.407SS..EExtended strand (participates in β ladder)trans-156.6166.2179.966.894.6000111.1V179 N218 F241 K243V179-W220 HydrophobicContact CG1-CH2 3.89Å; V179-W220 HydrophobicContact CG1-CZ2 4.17Å; N218-W220 HydrophobicContact CB-CE3 4.28Å; N218-W220 HydrophobicContact CB-CZ3 4.14Å; N218-W220 VanDerWaalsContact ND2-CE3 3.34Å; W220-F241 AromaticContact CD1-CD2 3.71Å; W220-F241 HydrophobicContact CD2-CB 3.65Å; W220-F241 HydrophobicContact CD2-CG 4.33Å; W220-F241 AromaticContact CE2-CG 3.57Å; W220-F241 HydrophobicContact CE3-CB 4.13Å; W220-F241 HydrophobicContact CG-CB 4.11Å; W220-F241 HydrophobicContact CH2-CB 4.03Å; W220-F241 HydrophobicContact CZ2-CB 3.54Å; W220-F241 AromaticContact CZ2-CD1 3.89Å; W220-F241 HydrophobicContact CZ2-CD1 3.89Å; W220-F241 AromaticContact CZ2-CG 3.78Å; W220-F241 HydrophobicContact CZ2-CG 3.78Å; W220-F241 HydrophobicContact CZ3-CB 4.3Å; W220-F241 PolarHBondContact N-O 2.96Å; W220-F241 VanDerWaalsContact N-O 3.12Å; W220-F241 AromaticContact NE1-CD2 3.34Å; W220-F241 VanDerWaalsContact NE1-CD2 3.34Å; W220-F241 AromaticContact NE1-CE2 3.99Å; W220-F241 AromaticContact NE1-CG 3.38Å; W220-F241 PolarHBondContact O-N 3.4Å; W220-K243 HydrophobicContact CH2-CB 4.15Å; W220-K243 HydrophobicContact CZ3-CB 3.79Å
221Q95.1Very high92.7Very high67 Ų6771.6 Ų71.631%0.31338%0.38SS..EExtended strand (participates in β ladder)trans-135.3144.1-173.664.6-72.6-1000110.9F198 E201 L239 F240F198-Q221 HydrophobicContact CD1-CG 3.93Å; F198-Q221 HydrophobicContact CE1-CB 3.63Å; F198-Q221 HydrophobicContact CE1-CG 3.33Å; F198-Q221 HydrophobicContact CE2-CG 4.36Å; F198-Q221 HydrophobicContact CZ-CB 3.98Å; F198-Q221 HydrophobicContact CZ-CG 3.59Å; E201-Q221 PolarHBondContact O-NE2 3.02Å; Q221-L239 CarbonylContact C-O 3.42Å; Q221-L239 VanDerWaalsContact CA-O 3.26Å; Q221-L239 WeakPolarHBondContact CA-O 3.24Å; Q221-F240 HydrophobicContact CB-CD1 3.93Å; Q221-F240 HydrophobicContact CB-CE1 4.14Å
222K94.5Very high92.5Very high131 Ų13176.3 Ų76.357%0.5741%0.41SS*.EExtended strand (participates in β ladder)trans-138.9120-177.9-175.7175.8-178.3176.50110.1L239 F241K222-L239 PolarHBondContact N-O 2.96Å; K222-L239 PolarHBondContact O-N 3.38Å; K222-F241 HydrophobicContact CB-CE2 4.18Å
223H93.7Very high92.4Very high62 Ų6274.4 Ų74.429%0.28739%0.39SS..EExtended strand (participates in β ladder)trans-80.7143.3167.2-171.687000109.6I196 F198 D237 T238I196-H223 PolarHBondContact O-CE1 3.32Å; I196-H223 PolarHBondContact O-ND1 3.45Å; F198-H223 HydrophobicContact CE2-CB 4.02Å; F198-H223 HydrophobicContact CZ-CB 4.08Å; H223-D237 WeakPolarHBondContact CA-O 3.47Å; H223-D237 PolarHBondContact ND1-O 3.23Å; H223-T238 PolarHBondContact ND1-OG1 3.48Å
224R92.5Very high92.4Very high105 Ų10577.4 Ų77.440%0.39640%0.404SS..EExtended strand (participates in β ladder)trans-140.5148174.4160.3-174.7-173.6178.91.9109.4H226 S236 D237 L239R224-H226 HydrophobicContact CG-CB 4.42Å; R224-H226 PolarHBondContact NH2-CD2 2.9Å; R224-H226 PolarHBondContact NH2-NE2 3.05Å; R224-S236 CarbonylContact O-C 3.59Å; R224-S236 WeakPolarHBondContact O-CA 3.32Å; R224-D237 VanDerWaalsContact CB-OD1 3.31Å; R224-D237 WeakPolarHBondContact CB-OD1 3.4Å; R224-D237 PolarHBondContact N-O 3.41Å; R224-D237 PolarHBondContact O-N 3.07Å; R224-L239 HydrophobicContact CB-CD1 4.34Å
225T91.7Very high92.3Very high65 Ų6579 Ų7940%0.39941%0.41SS..EExtended strand (participates in β ladder)trans-120.8135.5171.4-42.90000108.2Q234 Y235T225-Q234 HydrophobicContact CG2-CB 3.91Å; T225-Y235 CarbonylContact C-O 3.56Å; T225-Y235 WeakPolarHBondContact CA-O 3.45Å
226H89.8Confident92.2Very high77 Ų7777.3 Ų77.336%0.35640%0.399SS..EExtended strand (participates in β ladder)trans-158.2143.7-172.1-162.2-106.1000112.2R224 Y235R224-H226 HydrophobicContact CG-CB 4.42Å; R224-H226 PolarHBondContact NH2-CD2 2.9Å; R224-H226 PolarHBondContact NH2-NE2 3.05Å; H226-Y235 PolarHBondContact N-O 3.14Å; H226-Y235 PolarHBondContact O-N 3.38Å
227A90.3Very high92.1Very high43 Ų4375.8 Ų75.836%0.35539%0.39SS..EExtended strand (participates in β ladder)trans-90.9144.7168.700000110.3E233A227-E233 WeakPolarHBondContact CA-O 3.44Å; A227-E233 WeakPolarHBondContact CB-O 3.15Å
228Y89.3Confident92.1Very high63 Ų6372 Ų7225%0.24737%0.37CS..EExtended strand (participates in β ladder)trans-99.4153.9-178.5-75.6-71.8000111.6Y131 R183 C230 C231 Y235Y131-Y228 VanDerWaalsContact CE2-OH 3.26Å; Y131-Y228 WeakPolarHBondContact CE2-OH 3.42Å; R183-Y228 PolarHBondContact NH2-OH 3.33Å; Y228-C230 PolarHBondContact O-N 2.96Å; Y228-C231 PolarHBondContact N-O 3.31Å; Y228-C231 CarbonylContact O-C 3.51Å; Y228-C231 PolarHBondContact O-N 3.21Å; Y228-Y235 AromaticContact CD2-CD2 3.75Å; Y228-Y235 HydrophobicContact CD2-CD2 3.75Å; Y228-Y235 HydrophobicContact CD2-CE2 4.39Å; Y228-Y235 AromaticContact CD2-CG 3.98Å; Y228-Y235 HydrophobicContact CD2-CG 3.98Å; Y228-Y235 HydrophobicContact CE2-CD2 4.27Å; Y228-Y235 HydrophobicContact CE2-CG 4.02Å
229P91.9Very high92.2Very high141 Ų14169 Ų6992%0.91635%0.354SS*.THydrogen-bonded Turntrans-56.6-21177.9-26.835.8000115
230C91.2Very high92.2Very high106 Ų10664.3 Ų64.372%0.71634%0.335SS*.THydrogen-bonded Turntrans-88.1-18.817757.30000114.9Y228Y228-C230 PolarHBondContact O-N 2.96Å
231C89.4Confident92.3Very high33 Ų3362 Ų6222%0.22333%0.327CS..EExtended strand (participates in β ladder)trans-144.8121.5-168.1-62.90000111Y228 E233 Y235Y228-C231 PolarHBondContact N-O 3.31Å; Y228-C231 CarbonylContact O-C 3.51Å; Y228-C231 PolarHBondContact O-N 3.21Å; C231-E233 WeakPolarHBondContact CB-OE2 3.44Å; C231-E233 PolarHBondContact O-N 3.28Å; C231-Y235 HydrophobicContact CB-CE2 3.75Å
232P86.9Confident92.3Very high117 Ų11758.9 Ų58.976%0.7631%0.313SS*.EExtended strand (participates in β ladder)trans-68.4-16.6178.330.1-36.8000113.6
233E89.3Confident92.4Very high80 Ų8056.1 Ų56.137%0.37430%0.301SS..EExtended strand (participates in β ladder)trans-65.4151.1175.8-61.276-167.800112D190 A227 C231 Y235D190-E233 HydrophobicContact CB-CB 3.89Å; D190-E233 HydrophobicContact CB-CG 4.4Å; A227-E233 WeakPolarHBondContact CA-O 3.44Å; A227-E233 WeakPolarHBondContact CB-O 3.15Å; C231-E233 WeakPolarHBondContact CB-OE2 3.44Å; C231-E233 PolarHBondContact O-N 3.28Å; E233-Y235 HydrophobicContact CB-CE2 3.98Å; E233-Y235 WeakPolarHBondContact O-CD2 3.45Å
234Q91.3Very high92.5Very high116 Ų11653.2 Ų53.254%0.54229%0.288SS..EExtended strand (participates in β ladder)trans-85.6133.7172.5-70-17216.300110.7D190 S191 T225D190-Q234 WeakPolarHBondContact CB-O 3.31Å; S191-Q234 PolarHBondContact N-O 3.36Å; S191-Q234 PolarHBondContact OG-O 3.42Å; S191-Q234 VanDerWaalsContact OG-O 3.13Å; T225-Q234 HydrophobicContact CG2-CB 3.91Å
235Y92.5Very high92.6Very high34 Ų3451 Ų5113%0.13328%0.282CS..EExtended strand (participates in β ladder)trans-112.9137.6173.6-67.2-100.8000109F189 T225 H226 Y228 C231 E233F189-Y235 WeakPolarHBondContact O-CD1 3.45Å; T225-Y235 CarbonylContact C-O 3.56Å; T225-Y235 WeakPolarHBondContact CA-O 3.45Å; H226-Y235 PolarHBondContact N-O 3.14Å; H226-Y235 PolarHBondContact O-N 3.38Å; Y228-Y235 AromaticContact CD2-CD2 3.75Å; Y228-Y235 HydrophobicContact CD2-CD2 3.75Å; Y228-Y235 HydrophobicContact CD2-CE2 4.39Å; Y228-Y235 AromaticContact CD2-CG 3.98Å; Y228-Y235 HydrophobicContact CD2-CG 3.98Å; Y228-Y235 HydrophobicContact CE2-CD2 4.27Å; Y228-Y235 HydrophobicContact CE2-CG 4.02Å; C231-Y235 HydrophobicContact CB-CE2 3.75Å; E233-Y235 HydrophobicContact CB-CE2 3.98Å; E233-Y235 WeakPolarHBondContact O-CD2 3.45Å
236S91.9Very high92.7Very high0 Ų048.3 Ų48.30%026%0.264CS..EExtended strand (participates in β ladder)trans-100.8126.2177.6540000110.7P186 R224P186-S236 VanDerWaalsContact CD-O 3.23Å; P186-S236 WeakPolarHBondContact CD-O 3.41Å; R224-S236 CarbonylContact O-C 3.59Å; R224-S236 WeakPolarHBondContact O-CA 3.32Å
237D93.2Very high92.8Very high3 Ų349 Ų492%0.01627%0.268CS..EExtended strand (participates in β ladder)trans-127.1162.3175.669.818.8000112.2Y131 R183 F184 H223 R224 L239Y131-D237 HydrophobicContact CD2-CB 4.47Å; Y131-D237 HydrophobicContact CE2-CB 3.89Å; R183-D237 IonicContact CZ-OD2 3.44Å; R183-D237 IonicContact NE-OD2 2.66Å; R183-D237 PolarHBondContact NE-OD2 2.98Å; R183-D237 IonicContact NH2-OD2 3.91Å; R183-D237 PolarHBondContact NH2-OD2 2.97Å; F184-D237 CarbonylContact O-C 3.56Å; F184-D237 WeakPolarHBondContact O-CA 3.21Å; H223-D237 WeakPolarHBondContact CA-O 3.47Å; H223-D237 PolarHBondContact ND1-O 3.23Å; R224-D237 VanDerWaalsContact CB-OD1 3.31Å; R224-D237 WeakPolarHBondContact CB-OD1 3.4Å; R224-D237 PolarHBondContact N-O 3.41Å; R224-D237 PolarHBondContact O-N 3.07Å; D237-L239 WeakPolarHBondContact OD1-CD1 3.33Å
238T94.2Very high92.9Very high0 Ų047.5 Ų47.50%026%0.255CS..EExtended strand (participates in β ladder)trans-133.6118.4-175.8-58.20000109.1F184 I196 F198 H223 F240F184-T238 PolarHBondContact N-O 3.43Å; F184-T238 PolarHBondContact O-N 2.92Å; I196-T238 WeakPolarHBondContact CG2-OG1 3.38Å; F198-T238 HydrophobicContact CD1-CG2 4.03Å; F198-T238 HydrophobicContact CE1-CG2 3.27Å; F198-T238 HydrophobicContact CZ-CG2 3.89Å; H223-T238 PolarHBondContact ND1-OG1 3.48Å; T238-F240 HydrophobicContact CG2-CD2 4.27Å; T238-F240 HydrophobicContact CG2-CE1 4.4Å; T238-F240 HydrophobicContact CG2-CE2 3.51Å; T238-F240 HydrophobicContact CG2-CZ 3.58Å
239L95.8Very high92.9Very high21 Ų2147.1 Ų47.111%0.1127%0.265CS..EExtended strand (participates in β ladder)trans-102.5126-178.9-62.393.5000110Y181 L182 R183 Q221 K222 R224 D237 F241Y181-L239 HydrophobicContact CD2-CD2 4.14Å; L182-L239 WeakPolarHBondContact O-CA 3.41Å; R183-L239 HydrophobicContact CB-CD2 4.44Å; R183-L239 HydrophobicContact CB-CG 4.26Å; R183-L239 HydrophobicContact CG-CD2 4.35Å; R183-L239 HydrophobicContact CG-CG 4.08Å; Q221-L239 CarbonylContact C-O 3.42Å; Q221-L239 VanDerWaalsContact CA-O 3.26Å; Q221-L239 WeakPolarHBondContact CA-O 3.24Å; K222-L239 PolarHBondContact N-O 2.96Å; K222-L239 PolarHBondContact O-N 3.38Å; R224-L239 HydrophobicContact CB-CD1 4.34Å; D237-L239 WeakPolarHBondContact OD1-CD1 3.33Å; L239-F241 HydrophobicContact CB-CD2 4.25Å; L239-F241 HydrophobicContact CB-CE2 3.55Å; L239-F241 HydrophobicContact CB-CZ 4.07Å; L239-F241 HydrophobicContact CD2-CE2 4.42Å; L239-F241 HydrophobicContact CD2-CZ 4.1Å
240F96.6Very high92.8Very high0 Ų047.7 Ų47.70%025%0.25CS..EExtended strand (participates in β ladder)trans-107.6117.7174.7-61.5-92.5000108.7F71 L73 Y181 L182 F184 G202 F203 Q221 T238F71-F240 AromaticContact CD1-CE2 3.96Å; F71-F240 HydrophobicContact CD1-CE2 3.96Å; F71-F240 HydrophobicContact CD1-CZ 4.05Å; F71-F240 AromaticContact CE1-CE2 3.71Å; F71-F240 HydrophobicContact CE1-CE2 3.71Å; F71-F240 HydrophobicContact CE1-CZ 4.12Å; L73-F240 HydrophobicContact CB-CD1 4.46Å; L73-F240 HydrophobicContact CB-CE1 4.49Å; L73-F240 HydrophobicContact CD1-CB 3.91Å; L73-F240 HydrophobicContact CD1-CD1 4Å; L73-F240 HydrophobicContact CD1-CD2 3.59Å; L73-F240 HydrophobicContact CD1-CE1 4.44Å; L73-F240 HydrophobicContact CD1-CE2 4.07Å; L73-F240 HydrophobicContact CD1-CG 3.54Å; L73-F240 HydrophobicContact CD1-CZ 4.47Å; L73-F240 HydrophobicContact CG-CD1 4.25Å; L73-F240 HydrophobicContact CG-CD2 4.16Å; L73-F240 HydrophobicContact CG-CE1 4.24Å; L73-F240 HydrophobicContact CG-CE2 4.14Å; L73-F240 HydrophobicContact CG-CG 4.21Å; L73-F240 HydrophobicContact CG-CZ 4.18Å; Y181-F240 CarbonylContact C-O 3.6Å; Y181-F240 WeakPolarHBondContact CA-O 3.28Å; L182-F240 PolarHBondContact N-O 2.76Å; L182-F240 PolarHBondContact O-N 2.96Å; F184-F240 AromaticContact CD2-CD2 3.96Å; F184-F240 HydrophobicContact CD2-CD2 3.96Å; F184-F240 HydrophobicContact CD2-CE2 4.14Å; G202-F240 WeakPolarHBondContact O-CE1 3.48Å; F203-F240 HydrophobicContact CB-CD1 3.95Å; F203-F240 HydrophobicContact CB-CE1 4.34Å; F203-F240 HydrophobicContact CD1-CB 4.14Å; F203-F240 AromaticContact CD1-CD1 3.99Å; F203-F240 HydrophobicContact CD1-CD1 3.99Å; F203-F240 HydrophobicContact CD2-CD1 4.42Å; F203-F240 HydrophobicContact CE1-CB 4Å; F203-F240 AromaticContact CG-CD1 3.89Å; F203-F240 HydrophobicContact CG-CD1 3.89Å; F203-F240 HydrophobicContact CZ-CB 4.5Å; Q221-F240 HydrophobicContact CB-CD1 3.93Å; Q221-F240 HydrophobicContact CB-CE1 4.14Å; T238-F240 HydrophobicContact CG2-CD2 4.27Å; T238-F240 HydrophobicContact CG2-CE1 4.4Å; T238-F240 HydrophobicContact CG2-CE2 3.51Å; T238-F240 HydrophobicContact CG2-CZ 3.58Å
241F96.9Very high92.7Very high37 Ų3744.3 Ų44.316%0.16222%0.223CC..EExtended strand (participates in β ladder)trans-104.3137.8-176.6-67.1-96.9000110.8V179 C180 Y181 Y219 W220 K222 L239V179-F241 HydrophobicContact CG1-CD1 4.25Å; C180-F241 WeakPolarHBondContact O-CA 3.31Å; Y181-F241 HydrophobicContact CD1-CE1 4.33Å; Y181-F241 HydrophobicContact CG-CE1 4.23Å; Y219-F241 VanDerWaalsContact CA-O 3.31Å; Y219-F241 WeakPolarHBondContact CA-O 3.46Å; W220-F241 AromaticContact CD1-CD2 3.71Å; W220-F241 HydrophobicContact CD2-CB 3.65Å; W220-F241 HydrophobicContact CD2-CG 4.33Å; W220-F241 AromaticContact CE2-CG 3.57Å; W220-F241 HydrophobicContact CE3-CB 4.13Å; W220-F241 HydrophobicContact CG-CB 4.11Å; W220-F241 HydrophobicContact CH2-CB 4.03Å; W220-F241 HydrophobicContact CZ2-CB 3.54Å; W220-F241 AromaticContact CZ2-CD1 3.89Å; W220-F241 HydrophobicContact CZ2-CD1 3.89Å; W220-F241 AromaticContact CZ2-CG 3.78Å; W220-F241 HydrophobicContact CZ2-CG 3.78Å; W220-F241 HydrophobicContact CZ3-CB 4.3Å; W220-F241 PolarHBondContact N-O 2.96Å; W220-F241 VanDerWaalsContact N-O 3.12Å; W220-F241 AromaticContact NE1-CD2 3.34Å; W220-F241 VanDerWaalsContact NE1-CD2 3.34Å; W220-F241 AromaticContact NE1-CE2 3.99Å; W220-F241 AromaticContact NE1-CG 3.38Å; W220-F241 PolarHBondContact O-N 3.4Å; K222-F241 HydrophobicContact CB-CE2 4.18Å; L239-F241 HydrophobicContact CB-CD2 4.25Å; L239-F241 HydrophobicContact CB-CE2 3.55Å; L239-F241 HydrophobicContact CB-CZ 4.07Å; L239-F241 HydrophobicContact CD2-CE2 4.42Å; L239-F241 HydrophobicContact CD2-CZ 4.1Å
242I95.9Very high92.8Very high3 Ų344.8 Ų44.82%0.01522%0.223CC..EExtended strand (participates in β ladder)trans-126119.9173.8-43.3172.7000107.9L75 L88 V90 C180 L182 F203 V216 I244L75-I242 HydrophobicContact CD2-CD1 4.17Å; L88-I242 HydrophobicContact CD2-CD1 4.49Å; V90-I242 HydrophobicContact CG1-CD1 4.46Å; C180-I242 PolarHBondContact N-O 2.92Å; C180-I242 PolarHBondContact O-N 3.01Å; L182-I242 HydrophobicContact CD1-CD1 4.27Å; F203-I242 HydrophobicContact CE1-CG1 3.83Å; F203-I242 HydrophobicContact CZ-CD1 4.02Å; F203-I242 HydrophobicContact CZ-CG1 3.76Å; V216-I242 HydrophobicContact CG1-CG2 4.05Å; V216-I242 HydrophobicContact CG2-CG2 4.24Å; I242-I244 HydrophobicContact CG2-CG2 3.63Å
243K96.2Very high93Very high72 Ų7247.3 Ų47.331%0.31322%0.218SC..EExtended strand (participates in β ladder)trans-98.3117.5170.8-178.2174-175.5175.90109.2Q178 V179 L217 N218 W220Q178-K243 CarbonylContact O-C 3.53Å; Q178-K243 WeakPolarHBondContact O-CA 3.34Å; V179-K243 HydrophobicContact CG2-CB 4.2Å; V179-K243 HydrophobicContact CG2-CD 4.31Å; V179-K243 HydrophobicContact CG2-CG 3.97Å; L217-K243 HydrophobicContact CB-CG 4.32Å; L217-K243 PolarHBondContact N-O 3.16Å; N218-K243 HydrophobicContact CB-CB 4.31Å; N218-K243 PolarHBondContact N-O 2.94Å; N218-K243 PolarHBondContact O-N 3.47Å; W220-K243 HydrophobicContact CH2-CB 4.15Å; W220-K243 HydrophobicContact CZ3-CB 3.79Å
244I95.7Very high93.1Very high2 Ų246.3 Ų46.31%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-121.4151.4-175.763-177.7000110.9I78 L81 K177 Q178 W214 S215 V216 I242I78-I244 HydrophobicContact CD1-CG2 3.83Å; L81-I244 HydrophobicContact CD2-CD1 4.49Å; K177-I244 CarbonylContact C-O 3.58Å; K177-I244 WeakPolarHBondContact CA-O 3.33Å; Q178-I244 HydrophobicContact CB-CD1 4.35Å; Q178-I244 HydrophobicContact CB-CG1 3.83Å; Q178-I244 PolarHBondContact N-O 3.32Å; Q178-I244 PolarHBondContact O-N 3.28Å; W214-I244 HydrophobicContact CD2-CD1 3.82Å; W214-I244 HydrophobicContact CD2-CG1 4.35Å; W214-I244 HydrophobicContact CE3-CB 3.95Å; W214-I244 HydrophobicContact CE3-CD1 3.55Å; W214-I244 HydrophobicContact CE3-CG1 3.6Å; W214-I244 HydrophobicContact CG-CD1 4.32Å; W214-I244 HydrophobicContact CZ3-CD1 3.92Å; W214-I244 HydrophobicContact CZ3-CG1 3.88Å; S215-I244 CarbonylContact O-C 3.56Å; S215-I244 WeakPolarHBondContact O-CA 3.42Å; V216-I244 HydrophobicContact CG2-CG2 4.11Å; I242-I244 HydrophobicContact CG2-CG2 3.63Å
245E94.6Very high93Very high58 Ų5841 Ų4127%0.27119%0.191SC..EExtended strand (participates in β ladder)trans-129.9137.6177.8179168.9-113.300109.4K177 S215 L217K177-E245 WeakPolarHBondContact CE-OE1 3.49Å; K177-E245 HydrophobicContact CG-CB 4.36Å; K177-E245 HydrophobicContact CG-CG 4.2Å; K177-E245 WeakPolarHBondContact CG-OE1 3.45Å; S215-E245 PolarHBondContact N-O 3.14Å; S215-E245 PolarHBondContact O-N 3.07Å; S215-E245 PolarHBondContact OG-O 3.22Å; L217-E245 HydrophobicContact CD1-CB 3.73Å; L217-E245 HydrophobicContact CD1-CG 4.47Å; L217-E245 HydrophobicContact CD2-CB 4.31Å; L217-E245 HydrophobicContact CG-CB 3.85Å
246R93.7Very high92.8Very high8 Ų840.3 Ų40.33%0.0319%0.189CC..EExtended strand (participates in β ladder)trans-80.1138.8-175.5-165.5-171-57.3-91.30.3112.1E83 D176 E213 W214 A248 Y251E83-R246 IonicContact OE1-CZ 3.56Å; E83-R246 IonicContact OE1-NH1 3.03Å; E83-R246 PolarHBondContact OE1-NH1 2.9Å; E83-R246 IonicContact OE1-NH2 2.98Å; E83-R246 PolarHBondContact OE1-NH2 3.09Å; D176-R246 PolarHBondContact O-N 3.48Å; D176-R246 IonicContact OD1-CZ 3.25Å; D176-R246 IonicContact OD1-NE 2.73Å; D176-R246 PolarHBondContact OD1-NE 2.85Å; D176-R246 IonicContact OD1-NH2 3.8Å; D176-R246 IonicContact OD2-CZ 2.72Å; D176-R246 IonicContact OD2-NE 2.84Å; D176-R246 PolarHBondContact OD2-NE 3.32Å; D176-R246 IonicContact OD2-NH2 3.99Å; D176-R246 PolarHBondContact OD2-NH2 3.3Å; E213-R246 HydrophobicContact CG-CG 4.26Å; E213-R246 IonicContact OE1-CZ 3.94Å; E213-R246 IonicContact OE1-NH1 2.78Å; E213-R246 PolarHBondContact OE1-NH1 2.9Å; W214-R246 HydrophobicContact CE3-CB 4.22Å; W214-R246 HydrophobicContact CH2-CB 4.19Å; W214-R246 HydrophobicContact CH2-CG 4.4Å; W214-R246 VanDerWaalsContact CH2-CZ 3.47Å; W214-R246 HydrophobicContact CZ3-CB 3.84Å; W214-R246 HydrophobicContact CZ3-CG 4.44Å; R246-A248 VanDerWaalsContact C-N 3.27Å; R246-A248 PolarHBondContact O-N 3.4Å; R246-Y251 HydrophobicContact CG-CE2 4.3Å
247Q93.1Very high92.7Very high93 Ų9344.2 Ų44.244%0.43521%0.209SC..  trans-73.377.9170.8-68.1-60.7-42.200111.2E213 S215 A249E213-Q247 WeakPolarHBondContact O-CB 3.43Å; E213-Q247 WeakPolarHBondContact O-CG 3.39Å; E213-Q247 PolarHBondContact O-N 3.34Å; S215-Q247 PolarHBondContact OG-NE2 3.29Å; Q247-A249 PolarHBondContact O-N 3.25Å
248A90.7Very high92.7Very high10 Ų1046.1 Ų46.18%0.08322%0.222CC..THydrogen-bonded Turntrans-53.7-16-17500000115.8P174 Y175 R246 Y250 Y251 N252P174-A248 HydrophobicContact CB-CB 4.27Å; P174-A248 HydrophobicContact CG-CB 4.15Å; P174-A248 WeakPolarHBondContact O-CB 3.28Å; Y175-A248 HydrophobicContact CD1-CB 3.91Å; Y175-A248 HydrophobicContact CE1-CB 3.81Å; Y175-A248 HydrophobicContact CG-CB 4.39Å; R246-A248 VanDerWaalsContact C-N 3.27Å; R246-A248 PolarHBondContact O-N 3.4Å; A248-Y250 VanDerWaalsContact C-N 3.32Å; A248-Y250 PolarHBondContact O-N 3.02Å; A248-Y251 PolarHBondContact O-N 3.27Å; A248-N252 WeakPolarHBondContact O-CB 3.5Å; A248-N252 PolarHBondContact O-N 3.05Å; A248-N252 PolarHBondContact O-ND2 3.09Å
249A89.5Confident92.5Very high56 Ų5646.1 Ų46.146%0.46322%0.222SC..Hα-helixtrans-53.8-41.8-175.800000113.9Q247 N252 Y253Q247-A249 PolarHBondContact O-N 3.25Å; A249-N252 PolarHBondContact O-N 3.13Å; A249-Y253 WeakPolarHBondContact O-CD2 3.45Å; A249-Y253 PolarHBondContact O-N 2.84Å
250Y90.2Very high92.1Very high152 Ų15249.5 Ų49.560%0.59624%0.236SC*.Hα-helixtrans-63.1-52.9178.1175.9-107000111.8A248 N252 Y253 I254A248-Y250 VanDerWaalsContact C-N 3.32Å; A248-Y250 PolarHBondContact O-N 3.02Å; Y250-N252 VanDerWaalsContact C-N 3.28Å; Y250-N252 PolarHBondContact O-N 2.89Å; Y250-Y253 PolarHBondContact O-N 3.2Å; Y250-Y253 VanDerWaalsContact O-N 3.15Å; Y250-I254 HydrophobicContact CD1-CD1 4.27Å; Y250-I254 HydrophobicContact CD2-CD1 3.89Å; Y250-I254 HydrophobicContact CE1-CD1 3.78Å; Y250-I254 HydrophobicContact CE2-CD1 3.35Å; Y250-I254 HydrophobicContact CG-CD1 4.32Å; Y250-I254 PolarHBondContact O-N 3.38Å
251Y90.1Very high91.8Very high36 Ų3654.3 Ų54.314%0.14126%0.261CS..Hα-helixtrans-64.2-30.6179.3-61-86.6000112.8F173 P174 E213 R246 A248 Y253 I254 L255 I256F173-Y251 HydrophobicContact CE1-CD1 4.2Å; F173-Y251 HydrophobicContact CE2-CD1 4.42Å; F173-Y251 HydrophobicContact CE2-CE1 4.23Å; F173-Y251 AromaticContact CZ-CD1 3.6Å; F173-Y251 HydrophobicContact CZ-CD1 3.6Å; F173-Y251 AromaticContact CZ-CE1 3.62Å; F173-Y251 HydrophobicContact CZ-CE1 3.62Å; F173-Y251 HydrophobicContact CZ-CG 4.32Å; P174-Y251 VanDerWaalsContact CB-CB 3.49Å; P174-Y251 HydrophobicContact CB-CD2 4.11Å; P174-Y251 HydrophobicContact CB-CG 3.83Å; E213-Y251 PolarHBondContact OE1-OH 3.03Å; R246-Y251 HydrophobicContact CG-CE2 4.3Å; A248-Y251 PolarHBondContact O-N 3.27Å; Y251-Y253 VanDerWaalsContact C-N 3.32Å; Y251-Y253 PolarHBondContact O-N 2.87Å; Y251-I254 PolarHBondContact O-N 3.49Å; Y251-L255 HydrophobicContact CD1-CD1 4.01Å; Y251-L255 WeakPolarHBondContact O-CB 3.45Å; Y251-L255 PolarHBondContact O-N 3.33Å; Y251-I256 PolarHBondContact O-N 2.84Å
252N90Very high91.6Very high42 Ų4253.7 Ų53.723%0.22526%0.259CS..Iπ-helixtrans-59.8-39.9173.6-75.2-22.7000112.6Y175 A248 A249 Y250 I256 L257Y175-N252 VanDerWaalsContact OH-CG 3.24Å; Y175-N252 PolarHBondContact OH-ND2 2.98Å; Y175-N252 PolarHBondContact OH-OD1 3.47Å; A248-N252 WeakPolarHBondContact O-CB 3.5Å; A248-N252 PolarHBondContact O-N 3.05Å; A248-N252 PolarHBondContact O-ND2 3.09Å; A249-N252 PolarHBondContact O-N 3.13Å; Y250-N252 VanDerWaalsContact C-N 3.28Å; Y250-N252 PolarHBondContact O-N 2.89Å; N252-I256 PolarHBondContact O-N 3.43Å; N252-I256 WeakPolarHBondContact OD1-CD1 3.48Å; N252-L257 PolarHBondContact O-N 3.37Å
253Y91Very high91.1Very high170 Ų17053.9 Ų53.967%0.66726%0.261SS*.Iπ-helixtrans-78.4-27.9178.9-70.4-65.3000113.7A249 Y250 Y251 L257 P258A249-Y253 WeakPolarHBondContact O-CD2 3.45Å; A249-Y253 PolarHBondContact O-N 2.84Å; Y250-Y253 PolarHBondContact O-N 3.2Å; Y250-Y253 VanDerWaalsContact O-N 3.15Å; Y251-Y253 VanDerWaalsContact C-N 3.32Å; Y251-Y253 PolarHBondContact O-N 2.87Å; Y253-L257 HydrophobicContact CD1-CD2 4.14Å; Y253-P258 WeakPolarHBondContact O-CD 3.42Å
254I91.1Very high90.6Very high59 Ų5953.2 Ų53.230%0.30327%0.265SS..Iπ-helixtrans-96.7-38.7-173.9-71.1166.3000113.1Y250 Y251 P258 L296Y250-I254 HydrophobicContact CD1-CD1 4.27Å; Y250-I254 HydrophobicContact CD2-CD1 3.89Å; Y250-I254 HydrophobicContact CE1-CD1 3.78Å; Y250-I254 HydrophobicContact CE2-CD1 3.35Å; Y250-I254 HydrophobicContact CG-CD1 4.32Å; Y250-I254 PolarHBondContact O-N 3.38Å; Y251-I254 PolarHBondContact O-N 3.49Å; I254-P258 WeakPolarHBondContact O-CD 3.41Å; I254-P258 VanDerWaalsContact O-CG 3.31Å; I254-P258 WeakPolarHBondContact O-CG 3.4Å; I254-L296 HydrophobicContact CG2-CD2 3.76Å
255L90.7Very high90.2Very high6 Ų656.8 Ų56.83%0.03128%0.284CS..Iπ-helixtrans-103.7-42.8-176.5-63.1176.5000112.6F173 Y251 C259 L296 L297 Y315F173-L255 HydrophobicContact CE1-CD1 3.78Å; F173-L255 HydrophobicContact CZ-CD1 4.45Å; Y251-L255 HydrophobicContact CD1-CD1 4.01Å; Y251-L255 WeakPolarHBondContact O-CB 3.45Å; Y251-L255 PolarHBondContact O-N 3.33Å; L255-C259 WeakPolarHBondContact O-CB 3.31Å; L255-L296 HydrophobicContact CD2-CB 4.5Å; L255-L296 HydrophobicContact CD2-CD2 3.91Å; L255-L296 HydrophobicContact CD2-CG 4.04Å; L255-L297 HydrophobicContact CD1-CD1 4.06Å; L255-Y315 PolarHBondContact O-OH 2.88Å
256I88.8Confident89.8Confident18 Ų1854.2 Ų54.29%0.09227%0.272CS..Iπ-helixtrans-86.5-42.1-171.7-57-165.9000112.1P174 Y175 Y251 N252 C259 F260 F793P174-I256 HydrophobicContact CG-CD1 4.33Å; Y175-I256 HydrophobicContact CE2-CD1 4.08Å; Y251-I256 PolarHBondContact O-N 2.84Å; N252-I256 PolarHBondContact O-N 3.43Å; N252-I256 WeakPolarHBondContact OD1-CD1 3.48Å; I256-C259 WeakPolarHBondContact O-CB 3.17Å; I256-C259 PolarHBondContact O-N 2.91Å; I256-F260 HydrophobicContact CG2-CD2 3.67Å; I256-F260 HydrophobicContact CG2-CE2 3.39Å; I256-F260 HydrophobicContact CG2-CZ 4.42Å; I256-F260 WeakPolarHBondContact O-CD2 3.42Å; I256-F260 PolarHBondContact O-N 3.28Å; I256-F793 HydrophobicContact CG2-CE1 4.09Å
257L89.7Confident89.2Confident83 Ų8356.6 Ų56.644%0.43529%0.285SS..Hα-helixtrans-64.6-47.9178.8177.263.6000113.1N252 Y253 C259 F260 L261N252-L257 PolarHBondContact O-N 3.37Å; Y253-L257 HydrophobicContact CD1-CD2 4.14Å; L257-C259 VanDerWaalsContact C-N 3.28Å; L257-C259 PolarHBondContact O-N 3.11Å; L257-F260 PolarHBondContact O-N 3.33Å; L257-L261 HydrophobicContact CD1-CD1 4.4Å; L257-L261 HydrophobicContact CD1-CG 4.45Å; L257-L261 HydrophobicContact CG-CD1 4.34Å; L257-L261 WeakPolarHBondContact O-CG 3.42Å; L257-L261 PolarHBondContact O-N 3.27Å; L257-L261 VanDerWaalsContact O-N 3.09Å
258P91.5Very high88.7Confident43 Ų4355.8 Ų55.828%0.27929%0.286SS..Hα-helixtrans-65.3-33.8176.4-24.638.6000112.4Y253 I254 L261 L262 L293Y253-P258 WeakPolarHBondContact O-CD 3.42Å; I254-P258 WeakPolarHBondContact O-CD 3.41Å; I254-P258 VanDerWaalsContact O-CG 3.31Å; I254-P258 WeakPolarHBondContact O-CG 3.4Å; P258-L261 PolarHBondContact O-N 3.11Å; P258-L262 WeakPolarHBondContact O-CB 3.38Å; P258-L262 WeakPolarHBondContact O-CG 3.39Å; P258-L262 PolarHBondContact O-N 3.5Å; P258-L293 HydrophobicContact CB-CD1 4.47Å; P258-L293 HydrophobicContact CB-CD2 4.42Å
259C90Very high88.3Confident0 Ų055.5 Ų55.50%028%0.284CS..Hα-helixtrans-57.2-52.4171.3167.30000112.1L255 I256 L257 L261 L262 S263 L293 Y314 Y315L255-C259 WeakPolarHBondContact O-CB 3.31Å; I256-C259 WeakPolarHBondContact O-CB 3.17Å; I256-C259 PolarHBondContact O-N 2.91Å; L257-C259 VanDerWaalsContact C-N 3.28Å; L257-C259 PolarHBondContact O-N 3.11Å; C259-L261 VanDerWaalsContact C-N 3.29Å; C259-L261 PolarHBondContact O-N 3.07Å; C259-L262 PolarHBondContact O-N 3.39Å; C259-S263 WeakPolarHBondContact O-CB 3.44Å; C259-S263 PolarHBondContact O-N 3.12Å; C259-S263 PolarHBondContact O-OG 3.04Å; C259-L293 HydrophobicContact CB-CD1 4.38Å; C259-Y314 WeakPolarHBondContact SG-CE1 3.49Å; C259-Y315 HydrophobicContact CB-CE1 3.86Å
260F87.6Confident87.6Confident92 Ų9253.7 Ų53.740%0.40427%0.265SS..Hα-helixtrans-59.8-38.5175.9-81.9-58.1000112.7I256 L257 S264 F793I256-F260 HydrophobicContact CG2-CD2 3.67Å; I256-F260 HydrophobicContact CG2-CE2 3.39Å; I256-F260 HydrophobicContact CG2-CZ 4.42Å; I256-F260 WeakPolarHBondContact O-CD2 3.42Å; I256-F260 PolarHBondContact O-N 3.28Å; L257-F260 PolarHBondContact O-N 3.33Å; F260-S264 PolarHBondContact O-N 3.03Å; F260-F793 HydrophobicContact CE1-CE2 4.41Å; F260-F793 HydrophobicContact CE1-CZ 4.27Å; F260-F793 HydrophobicContact CE2-CE1 4.19Å; F260-F793 HydrophobicContact CE2-CZ 4.35Å; F260-F793 HydrophobicContact CZ-CD1 4.28Å; F260-F793 AromaticContact CZ-CE1 3.82Å; F260-F793 HydrophobicContact CZ-CE1 3.82Å; F260-F793 HydrophobicContact CZ-CE2 4.31Å; F260-F793 AromaticContact CZ-CZ 3.84Å; F260-F793 HydrophobicContact CZ-CZ 3.84Å
261L91.4Very high87.1Confident100 Ų10056.7 Ų56.752%0.52428%0.276SS..Hα-helixtrans-65.6-46176.9-67171.8000111.7L257 P258 C259 S264 L265L257-L261 HydrophobicContact CD1-CD1 4.4Å; L257-L261 HydrophobicContact CD1-CG 4.45Å; L257-L261 HydrophobicContact CG-CD1 4.34Å; L257-L261 WeakPolarHBondContact O-CG 3.42Å; L257-L261 PolarHBondContact O-N 3.27Å; L257-L261 VanDerWaalsContact O-N 3.09Å; P258-L261 PolarHBondContact O-N 3.11Å; C259-L261 VanDerWaalsContact C-N 3.29Å; C259-L261 PolarHBondContact O-N 3.07Å; L261-S264 WeakPolarHBondContact O-CB 3.22Å; L261-S264 PolarHBondContact O-N 3.46Å; L261-S264 VanDerWaalsContact O-N 3.13Å; L261-S264 PolarHBondContact O-OG 3.19Å; L261-L265 WeakPolarHBondContact O-CG 3.42Å; L261-L265 PolarHBondContact O-N 3.43Å; L261-L265 VanDerWaalsContact O-N 3.09Å
262L91.8Very high86.7Confident25 Ų2557.7 Ų57.713%0.13128%0.283CS..Hα-helixtrans-62.9-44.1175.9-70.4171.5000112.1P258 C259 S264 L265 T266 A289 F290 L293P258-L262 WeakPolarHBondContact O-CB 3.38Å; P258-L262 WeakPolarHBondContact O-CG 3.39Å; P258-L262 PolarHBondContact O-N 3.5Å; C259-L262 PolarHBondContact O-N 3.39Å; L262-S264 PolarHBondContact O-N 3.1Å; L262-L265 HydrophobicContact CD2-CD1 4.46Å; L262-L265 PolarHBondContact O-N 3.24Å; L262-T266 PolarHBondContact O-N 3.42Å; L262-A289 HydrophobicContact CD1-CB 3.69Å; L262-A289 HydrophobicContact CD2-CB 3.62Å; L262-A289 HydrophobicContact CG-CB 4.33Å; L262-F290 HydrophobicContact CB-CE1 4.06Å; L262-F290 HydrophobicContact CB-CE2 3.99Å; L262-F290 HydrophobicContact CB-CZ 3.64Å; L262-F290 HydrophobicContact CD1-CD1 4.33Å; L262-F290 HydrophobicContact CD1-CE1 4.36Å; L262-L293 HydrophobicContact CD1-CD1 3.66Å
263S86.7Confident86.1Confident7 Ų758.9 Ų58.95%0.04929%0.293CS..Hα-helixtrans-64.8-18.2174.1-680000113.5C259 T266 Y314C259-S263 WeakPolarHBondContact O-CB 3.44Å; C259-S263 PolarHBondContact O-N 3.12Å; C259-S263 PolarHBondContact O-OG 3.04Å; S263-T266 PolarHBondContact O-OG1 2.91Å; S263-Y314 PolarHBondContact OG-OH 3.38Å
264S85.1Confident85.3Confident58 Ų5851.7 Ų51.741%0.40627%0.267SS..Hα-helixtrans-82.6-34.716981.70000112.5F260 L261 L262 T266 L267F260-S264 PolarHBondContact O-N 3.03Å; L261-S264 WeakPolarHBondContact O-CB 3.22Å; L261-S264 PolarHBondContact O-N 3.46Å; L261-S264 VanDerWaalsContact O-N 3.13Å; L261-S264 PolarHBondContact O-OG 3.19Å; L262-S264 PolarHBondContact O-N 3.1Å; S264-T266 VanDerWaalsContact C-N 3.31Å; S264-T266 PolarHBondContact O-N 3.35Å; S264-L267 WeakPolarHBondContact O-CB 2.88Å; S264-L267 PolarHBondContact O-N 3.41Å
265L88.1Confident84.4Confident77 Ų7753.5 Ų53.540%0.40327%0.274SS..Hα-helixtrans-68.9-27.1179.1-71170.5000112.8L261 L262 L267 V268 L269 I286L261-L265 WeakPolarHBondContact O-CG 3.42Å; L261-L265 PolarHBondContact O-N 3.43Å; L261-L265 VanDerWaalsContact O-N 3.09Å; L262-L265 HydrophobicContact CD2-CD1 4.46Å; L262-L265 PolarHBondContact O-N 3.24Å; L265-L267 VanDerWaalsContact C-N 3.25Å; L265-L267 PolarHBondContact O-N 3.28Å; L265-V268 WeakPolarHBondContact O-CB 3.32Å; L265-V268 PolarHBondContact O-N 2.98Å; L265-V268 VanDerWaalsContact O-N 3.13Å; L265-L269 PolarHBondContact O-N 3.33Å; L265-I286 HydrophobicContact CB-CD1 4.03Å
266T84.7Confident83.9Confident3 Ų355.6 Ų55.62%0.01829%0.287CS..Hα-helixtrans-65.6-26.2172.858.60000113L262 S263 S264 V268 L269 F270 I286 V322 Y781L262-T266 PolarHBondContact O-N 3.42Å; S263-T266 PolarHBondContact O-OG1 2.91Å; S264-T266 VanDerWaalsContact C-N 3.31Å; S264-T266 PolarHBondContact O-N 3.35Å; T266-V268 VanDerWaalsContact C-N 3.31Å; T266-L269 WeakPolarHBondContact O-CB 3.28Å; T266-L269 PolarHBondContact O-N 3.33Å; T266-F270 WeakPolarHBondContact O-CD2 3.36Å; T266-I286 HydrophobicContact CG2-CD1 4.13Å; T266-I286 HydrophobicContact CG2-CG2 3.7Å; T266-V322 HydrophobicContact CG2-CG2 3.84Å; T266-Y781 WeakPolarHBondContact CB-OH 3.29Å; T266-Y781 VanDerWaalsContact CG2-OH 3.3Å; T266-Y781 WeakPolarHBondContact CG2-OH 3.49Å; T266-Y781 WeakPolarHBondContact OG1-CE1 3.39Å; T266-Y781 PolarHBondContact OG1-OH 3.49Å
267L82.1Confident83.6Confident58 Ų5859.6 Ų59.630%0.30432%0.315SS..Hα-helixtrans-67.8-33.5172.7-56.3176.1000111.5S264 L265 L269 F270 F778S264-L267 WeakPolarHBondContact O-CB 2.88Å; S264-L267 PolarHBondContact O-N 3.41Å; L265-L267 VanDerWaalsContact C-N 3.25Å; L265-L267 PolarHBondContact O-N 3.28Å; L267-L269 VanDerWaalsContact C-N 3.34Å; L267-F270 PolarHBondContact O-N 3.08Å; L267-F778 HydrophobicContact CD2-CE2 4.14Å
268V82.8Confident83.4Confident76 Ų7658.2 Ų58.246%0.46132%0.315SS..Hα-helixtrans-68.7-32.8177.5-173.10000111.5L265 T266 F270 W271 L272L265-V268 WeakPolarHBondContact O-CB 3.32Å; L265-V268 PolarHBondContact O-N 2.98Å; L265-V268 VanDerWaalsContact O-N 3.13Å; T266-V268 VanDerWaalsContact C-N 3.31Å; V268-F270 PolarHBondContact O-N 2.98Å; V268-W271 WeakPolarHBondContact O-CB 3.31Å; V268-W271 PolarHBondContact O-N 3Å; V268-L272 PolarHBondContact O-N 3.43Å; V268-L272 VanDerWaalsContact O-N 3.13Å
269L80.8Confident83Confident5 Ų556.3 Ų56.33%0.02630%0.303CS..Hα-helixtrans-57.5-32.3177.6-177.2148.1000112.8L265 T266 L267 K279 L282L265-L269 PolarHBondContact O-N 3.33Å; T266-L269 WeakPolarHBondContact O-CB 3.28Å; T266-L269 PolarHBondContact O-N 3.33Å; L267-L269 VanDerWaalsContact C-N 3.34Å; L269-K279 HydrophobicContact CD2-CG 4.31Å; L269-K279 HydrophobicContact CG-CG 4.12Å; L269-K279 WeakPolarHBondContact O-CE 3.43Å; L269-K279 PolarHBondContact O-NZ 3.07Å; L269-L282 HydrophobicContact CB-CD2 4.22Å
270F76.6Confident82.7Confident18 Ų1859.2 Ų59.28%0.07932%0.317CS..Hα-helixtrans-87.3-15176.1-69.3-82.2000114.6T266 L267 V268 S325 F777 F778 Y781T266-F270 WeakPolarHBondContact O-CD2 3.36Å; L267-F270 PolarHBondContact O-N 3.08Å; V268-F270 PolarHBondContact O-N 2.98Å; F270-S325 WeakPolarHBondContact CZ-OG 3.34Å; F270-F777 HydrophobicContact CE1-CB 3.97Å; F270-F778 HydrophobicContact CB-CB 3.79Å; F270-F778 HydrophobicContact CB-CD2 3.3Å; F270-F778 HydrophobicContact CB-CE2 4.11Å; F270-F778 HydrophobicContact CB-CG 3.77Å; F270-F778 HydrophobicContact CD1-CB 3.82Å; F270-F778 HydrophobicContact CD1-CD2 4.41Å; F270-F778 AromaticContact CD2-CD2 3.84Å; F270-F778 HydrophobicContact CD2-CD2 3.84Å; F270-F778 HydrophobicContact CG-CB 3.87Å; F270-F778 AromaticContact CG-CD2 3.62Å; F270-F778 HydrophobicContact CG-CD2 3.62Å; F270-F778 HydrophobicContact CG-CG 4.17Å; F270-Y781 HydrophobicContact CD2-CD1 4.17Å; F270-Y781 HydrophobicContact CD2-CG 4.33Å; F270-Y781 AromaticContact CE2-CD1 3.5Å; F270-Y781 HydrophobicContact CE2-CD1 3.5Å; F270-Y781 AromaticContact CE2-CD2 3.72Å; F270-Y781 HydrophobicContact CE2-CD2 3.72Å; F270-Y781 HydrophobicContact CE2-CE1 4.11Å; F270-Y781 HydrophobicContact CE2-CE2 4.29Å; F270-Y781 AromaticContact CE2-CG 3.31Å; F270-Y781 HydrophobicContact CE2-CG 3.31Å; F270-Y781 HydrophobicContact CZ-CD1 4.28Å; F270-Y781 AromaticContact CZ-CD2 3.86Å; F270-Y781 HydrophobicContact CZ-CD2 3.86Å; F270-Y781 AromaticContact CZ-CG 3.63Å; F270-Y781 HydrophobicContact CZ-CG 3.63Å
271W78.9Confident82.8Confident214 Ų21458.5 Ų58.581%0.81132%0.32SS*.Hα-helixtrans-77.8-26.5167.7-86.664000112.2V268V268-W271 WeakPolarHBondContact O-CB 3.31Å; V268-W271 PolarHBondContact O-N 3Å
272L81.6Confident82.7Confident57 Ų5756.1 Ų56.130%0.29831%0.308SS..SBendtrans-74.1129.3178.7-15170.4000110.7V268 A278 K279V268-L272 PolarHBondContact O-N 3.43Å; V268-L272 VanDerWaalsContact O-N 3.13Å; L272-A278 HydrophobicContact CD2-CB 4.05Å; L272-K279 HydrophobicContact CD2-CB 4.1Å; L272-K279 WeakPolarHBondContact O-CD 3.16Å; L272-K279 PolarHBondContact O-NZ 3Å
273P76.8Confident82.5Confident68 Ų6855 Ų5544%0.44230%0.301SS..  trans-66.9141.4-176.325.5-34000111.9E275 T276P273-E275 PolarHBondContact O-N 3.32Å; P273-T276 HydrophobicContact CG-CG2 4.13Å; P273-T276 PolarHBondContact O-N 3.44Å; P273-T276 VanDerWaalsContact O-N 3.1Å; P273-T276 PolarHBondContact O-OG1 2.92Å
274P73.6Confident82.6Confident18 Ų1859 Ų5912%0.11732%0.321CS..THydrogen-bonded Turntrans-71.7-3.3-173.930.8-35.8000113.8T276 K279 V332 V333 D774P274-T276 PolarHBondContact O-N 2.86Å; P274-K279 HydrophobicContact CB-CD 4.5Å; P274-V332 HydrophobicContact CB-CG1 3.77Å; P274-V332 HydrophobicContact CG-CG1 3.92Å; P274-V333 WeakPolarHBondContact O-CG2 3.28Å; P274-D774 WeakPolarHBondContact CD-OD2 3.24Å; P274-D774 HydrophobicContact CG-CB 4.46Å
275E73Confident82.9Confident97 Ų9760.6 Ų60.645%0.45333%0.325SS..THydrogen-bonded Turntrans-75.3-10.6170.7-52.7-162.4152.200112.8P273 H336 R767P273-E275 PolarHBondContact O-N 3.32Å; E275-H336 WeakPolarHBondContact CG-NE2 3.26Å; E275-H336 IonicContact OE1-CD2 2.72Å; E275-H336 IonicContact OE1-CE1 3.47Å; E275-H336 CovalentContact OE1-NE2 1.79Å; E275-H336 IonicContact OE1-NE2 2.69Å; E275-H336 PolarHBondContact OE1-NE2 3.42Å; E275-H336 IonicContact OE2-NE2 3.93Å; E275-H336 PolarHBondContact OE2-NE2 2.95Å; E275-R767 VanDerWaalsContact OE1-CD 3.31Å; E275-R767 WeakPolarHBondContact OE1-CD 3.46Å; E275-R767 WeakPolarHBondContact OE1-CG 3.38Å; E275-R767 IonicContact OE1-CZ 3.42Å; E275-R767 IonicContact OE1-NE 3.68Å; E275-R767 PolarHBondContact OE1-NE 3.27Å; E275-R767 IonicContact OE1-NH2 3.51Å; E275-R767 IonicContact OE2-NE 3.82Å; E275-R767 IonicContact OE2-NH2 3.1Å
276T81Confident83.1Confident50 Ų5057.1 Ų57.131%0.30731%0.307SS..  trans-101.8128.2-175.961.10000112.7P273 P274 A278 K279P273-T276 HydrophobicContact CG-CG2 4.13Å; P273-T276 PolarHBondContact O-N 3.44Å; P273-T276 VanDerWaalsContact O-N 3.1Å; P273-T276 PolarHBondContact O-OG1 2.92Å; P274-T276 PolarHBondContact O-N 2.86Å; T276-A278 PolarHBondContact O-N 2.92Å; T276-K279 WeakPolarHBondContact O-CB 3.47Å; T276-K279 PolarHBondContact O-N 3.31Å
277P82.9Confident83.4Confident103 Ų10360.8 Ų60.867%0.66932%0.322SS*.THydrogen-bonded Turntrans-65.7-24.3178.427-34.5000112.6K279 M280 V281P277-K279 PolarHBondContact O-N 3.31Å; P277-K279 VanDerWaalsContact O-N 3.1Å; P277-M280 PolarHBondContact O-N 3.48Å; P277-V281 PolarHBondContact O-N 3.32Å
278A85.1Confident84Confident54 Ų5460.7 Ų60.745%0.44632%0.322SS..Hα-helixtrans-52.9-29.3174.100000113.5L272 T276 M280 V281 L282L272-A278 HydrophobicContact CD2-CB 4.05Å; T276-A278 PolarHBondContact O-N 2.92Å; A278-M280 PolarHBondContact O-N 2.89Å; A278-V281 PolarHBondContact O-N 2.98Å; A278-L282 VanDerWaalsContact O-CB 3.29Å; A278-L282 WeakPolarHBondContact O-CB 3.29Å; A278-L282 PolarHBondContact O-N 3.41Å
279K83.4Confident84.5Confident3 Ų358.3 Ų58.31%0.01331%0.31CS..Hα-helixtrans-62.4-41.1176.4-172.8171.6178130.90112.5L269 L272 P274 T276 P277 G283 D774L269-K279 HydrophobicContact CD2-CG 4.31Å; L269-K279 HydrophobicContact CG-CG 4.12Å; L269-K279 WeakPolarHBondContact O-CE 3.43Å; L269-K279 PolarHBondContact O-NZ 3.07Å; L272-K279 HydrophobicContact CD2-CB 4.1Å; L272-K279 WeakPolarHBondContact O-CD 3.16Å; L272-K279 PolarHBondContact O-NZ 3Å; P274-K279 HydrophobicContact CB-CD 4.5Å; T276-K279 WeakPolarHBondContact O-CB 3.47Å; T276-K279 PolarHBondContact O-N 3.31Å; P277-K279 PolarHBondContact O-N 3.31Å; P277-K279 VanDerWaalsContact O-N 3.1Å; K279-G283 PolarHBondContact O-N 3.35Å; K279-D774 IonicContact NZ-OD1 3.11Å; K279-D774 PolarHBondContact NZ-OD1 2.98Å; K279-D774 IonicContact NZ-OD2 2.78Å; K279-D774 PolarHBondContact NZ-OD2 3.26Å
280M83.6Confident85.1Confident61 Ų6158.1 Ų58.130%0.331%0.309SS..Hα-helixtrans-71.7-44.7178-71.1173.150.300111.3P277 A278 L282 G283 M284 L330P277-M280 PolarHBondContact O-N 3.48Å; A278-M280 PolarHBondContact O-N 2.89Å; M280-L282 VanDerWaalsContact C-N 3.34Å; M280-L282 PolarHBondContact O-N 3.29Å; M280-G283 PolarHBondContact O-N 2.94Å; M280-G283 VanDerWaalsContact O-N 3.16Å; M280-M284 WeakPolarHBondContact O-CG 3.33Å; M280-M284 PolarHBondContact O-N 3.34Å; M280-L330 HydrophobicContact CE-CD2 3.55Å; M280-L330 HydrophobicContact CE-CG 4.34Å; M280-L330 HydrophobicContact SD-CD2 4Å
281V88.8Confident85.9Confident76 Ų7661.3 Ų61.346%0.46132%0.323SS..Hα-helixtrans-60.6-43.4177.9179.90000111P277 A278 G283 M284 N285P277-V281 PolarHBondContact O-N 3.32Å; A278-V281 PolarHBondContact O-N 2.98Å; V281-G283 PolarHBondContact O-N 3.5Å; V281-M284 PolarHBondContact O-N 2.9Å; V281-N285 WeakPolarHBondContact O-CB 3.28Å; V281-N285 PolarHBondContact O-N 2.82Å; V281-N285 PolarHBondContact O-ND2 3.5Å
282L88.9Confident86.6Confident51 Ų5154.5 Ų54.527%0.26730%0.302SS..Hα-helixtrans-60-44174.4-179.561.7000111.8L269 A278 M280 N285 I286L269-L282 HydrophobicContact CB-CD2 4.22Å; A278-L282 VanDerWaalsContact O-CB 3.29Å; A278-L282 WeakPolarHBondContact O-CB 3.29Å; A278-L282 PolarHBondContact O-N 3.41Å; M280-L282 VanDerWaalsContact C-N 3.34Å; M280-L282 PolarHBondContact O-N 3.29Å; L282-N285 PolarHBondContact O-N 3.24Å; L282-I286 HydrophobicContact CD1-CD1 3.94Å; L282-I286 HydrophobicContact CD1-CG1 4.3Å; L282-I286 HydrophobicContact CG-CD1 3.92Å; L282-I286 VanDerWaalsContact O-CG1 3.31Å; L282-I286 WeakPolarHBondContact O-CG1 3.39Å; L282-I286 PolarHBondContact O-N 2.91Å
283G87.2Confident87.1Confident0 Ų052.6 Ų52.60%029%0.292CS..Hα-helixtrans-62.7-43.9177.600000113.4K279 M280 V281 I286 F287 V322K279-G283 PolarHBondContact O-N 3.35Å; M280-G283 PolarHBondContact O-N 2.94Å; M280-G283 VanDerWaalsContact O-N 3.16Å; V281-G283 PolarHBondContact O-N 3.5Å; G283-I286 PolarHBondContact O-N 3.05Å; G283-F287 PolarHBondContact O-N 2.89Å; G283-V322 WeakPolarHBondContact O-CG1 3.36Å
284M88.9Confident87.8Confident92 Ų9251 Ų5145%0.45328%0.28SS..Hα-helixtrans-64.1-41.6175.7-68.917769.600111.9M280 V281 F287 L288 W557M280-M284 WeakPolarHBondContact O-CG 3.33Å; M280-M284 PolarHBondContact O-N 3.34Å; V281-M284 PolarHBondContact O-N 2.9Å; M284-F287 PolarHBondContact O-N 3.41Å; M284-L288 PolarHBondContact O-N 3.06Å; M284-W557 HydrophobicContact CE-CH2 4.42Å; M284-W557 HydrophobicContact CE-CZ2 3.73Å
285N92.2Very high88.6Confident91 Ų9152.8 Ų52.849%0.48729%0.288SS..Hα-helixtrans-66-37.3177.7-71-11.8000112.4V281 L282 L288 A289V281-N285 WeakPolarHBondContact O-CB 3.28Å; V281-N285 PolarHBondContact O-N 2.82Å; V281-N285 PolarHBondContact O-ND2 3.5Å; L282-N285 PolarHBondContact O-N 3.24Å; N285-L288 PolarHBondContact O-N 2.95Å; N285-A289 WeakPolarHBondContact O-CB 3.42Å; N285-A289 PolarHBondContact O-N 3.5Å
286I91.5Very high89.5Confident5 Ų552.1 Ų52.13%0.02629%0.287CS..Hα-helixtrans-69.2-40175-66.9166.1000111.1L265 T266 L282 G283 L288 A289 F290 V322L265-I286 HydrophobicContact CB-CD1 4.03Å; T266-I286 HydrophobicContact CG2-CD1 4.13Å; T266-I286 HydrophobicContact CG2-CG2 3.7Å; L282-I286 HydrophobicContact CD1-CD1 3.94Å; L282-I286 HydrophobicContact CD1-CG1 4.3Å; L282-I286 HydrophobicContact CG-CD1 3.92Å; L282-I286 VanDerWaalsContact O-CG1 3.31Å; L282-I286 WeakPolarHBondContact O-CG1 3.39Å; L282-I286 PolarHBondContact O-N 2.91Å; G283-I286 PolarHBondContact O-N 3.05Å; I286-L288 PolarHBondContact O-N 3.31Å; I286-A289 PolarHBondContact O-N 3.19Å; I286-F290 HydrophobicContact CG2-CD2 3.72Å; I286-F290 HydrophobicContact CG2-CE2 3.56Å; I286-F290 WeakPolarHBondContact O-CD2 3.47Å; I286-F290 PolarHBondContact O-N 3.48Å; I286-V322 HydrophobicContact CG2-CG2 4.28Å
287F92.2Very high89.9Confident79 Ų7949.7 Ų49.735%0.34627%0.273SS..Hα-helixtrans-58.4-47173.2178.2-85.5000111.5G283 M284 A289 F290 F291 M319 V322 T323G283-F287 PolarHBondContact O-N 2.89Å; M284-F287 PolarHBondContact O-N 3.41Å; F287-A289 VanDerWaalsContact C-N 3.32Å; F287-A289 PolarHBondContact O-N 2.99Å; F287-F290 PolarHBondContact O-N 2.92Å; F287-F291 PolarHBondContact O-N 3.36Å; F287-M319 HydrophobicContact CD2-CB 4.12Å; F287-M319 HydrophobicContact CD2-CE 4.27Å; F287-M319 HydrophobicContact CD2-CG 4.35Å; F287-M319 HydrophobicContact CE1-CE 3.97Å; F287-M319 HydrophobicContact CE2-CB 3.93Å; F287-M319 HydrophobicContact CE2-CE 3.61Å; F287-M319 HydrophobicContact CE2-CG 4.35Å; F287-M319 HydrophobicContact CZ-CE 3.44Å; F287-M319 VanDerWaalsContact CZ-CE 3.44Å; F287-V322 HydrophobicContact CB-CG1 4.04Å; F287-T323 WeakPolarHBondContact CE2-OG1 3.18Å
288L94Very high90.2Very high56 Ų5650.7 Ų50.729%0.29327%0.268SS..Hα-helixtrans-61.8-39.1176.3-179.561.2000112M284 N285 I286 F291 L292M284-L288 PolarHBondContact O-N 3.06Å; N285-L288 PolarHBondContact O-N 2.95Å; I286-L288 PolarHBondContact O-N 3.31Å; L288-F291 PolarHBondContact O-N 3.37Å; L288-L292 HydrophobicContact CD1-CG 4.46Å; L288-L292 HydrophobicContact CG-CD1 4.27Å; L288-L292 WeakPolarHBondContact O-CG 3.44Å; L288-L292 PolarHBondContact O-N 3.21Å
289A94.1Very high90Very high27 Ų2753.8 Ų53.822%0.22328%0.277CS..Hα-helixtrans-65.5-40.3177.300000112.9L262 N285 I286 F287 L292 L293L262-A289 HydrophobicContact CD1-CB 3.69Å; L262-A289 HydrophobicContact CD2-CB 3.62Å; L262-A289 HydrophobicContact CG-CB 4.33Å; N285-A289 WeakPolarHBondContact O-CB 3.42Å; N285-A289 PolarHBondContact O-N 3.5Å; I286-A289 PolarHBondContact O-N 3.19Å; F287-A289 VanDerWaalsContact C-N 3.32Å; F287-A289 PolarHBondContact O-N 2.99Å; A289-L292 PolarHBondContact O-N 3.39Å; A289-L293 PolarHBondContact O-N 2.77Å; A289-L293 VanDerWaalsContact O-N 3.09Å
290F92.6Very high89.9Confident0 Ų055.1 Ų55.10%029%0.287CS..Hα-helixtrans-67-36.5172-79.5-64.5000112.5L262 I286 F287 L293 L294 Y315 N318 M319L262-F290 HydrophobicContact CB-CE1 4.06Å; L262-F290 HydrophobicContact CB-CE2 3.99Å; L262-F290 HydrophobicContact CB-CZ 3.64Å; L262-F290 HydrophobicContact CD1-CD1 4.33Å; L262-F290 HydrophobicContact CD1-CE1 4.36Å; I286-F290 HydrophobicContact CG2-CD2 3.72Å; I286-F290 HydrophobicContact CG2-CE2 3.56Å; I286-F290 WeakPolarHBondContact O-CD2 3.47Å; I286-F290 PolarHBondContact O-N 3.48Å; F287-F290 PolarHBondContact O-N 2.92Å; F290-L293 PolarHBondContact O-N 2.86Å; F290-L294 PolarHBondContact O-N 3.3Å; F290-Y315 HydrophobicContact CD1-CD1 4.19Å; F290-N318 HydrophobicContact CD2-CB 4.39Å; F290-N318 HydrophobicContact CE1-CB 4.2Å; F290-N318 HydrophobicContact CE2-CB 4.07Å; F290-N318 HydrophobicContact CZ-CB 3.96Å; F290-M319 HydrophobicContact CB-CG 3.63Å; F290-M319 HydrophobicContact CB-SD 4.23Å
291F93.1Very high89.9Confident86 Ų8653.3 Ų53.338%0.37728%0.278SS..Hα-helixtrans-64.5-40.2174.3-176.5-115.7000112.2F287 L288 L293 L294 L295 M319F287-F291 PolarHBondContact O-N 3.36Å; L288-F291 PolarHBondContact O-N 3.37Å; F291-L293 PolarHBondContact O-N 3.48Å; F291-L294 WeakPolarHBondContact O-CB 3.47Å; F291-L294 PolarHBondContact O-N 2.9Å; F291-L294 VanDerWaalsContact O-N 3.16Å; F291-L295 HydrophobicContact CD1-CD1 4.13Å; F291-L295 HydrophobicContact CE1-CD1 3.73Å; F291-L295 HydrophobicContact CE1-CG 4.24Å; F291-L295 HydrophobicContact CZ-CD1 4.13Å; F291-L295 HydrophobicContact CZ-CD2 4.14Å; F291-L295 HydrophobicContact CZ-CG 4.21Å; F291-L295 WeakPolarHBondContact O-CG 3.38Å; F291-L295 PolarHBondContact O-N 2.99Å; F291-M319 HydrophobicContact CB-CE 3.88Å; F291-M319 HydrophobicContact CB-SD 4.43Å; F291-M319 HydrophobicContact CD2-CE 3.97Å; F291-M319 HydrophobicContact CG-CE 4.35Å
292L93.5Very high89.6Confident71 Ų7149.7 Ų49.737%0.37226%0.257SS..Hα-helixtrans-64.7-35.9173.9-70.6169.3000112.5L288 A289 L294 L295 L296L288-L292 HydrophobicContact CD1-CG 4.46Å; L288-L292 HydrophobicContact CG-CD1 4.27Å; L288-L292 WeakPolarHBondContact O-CG 3.44Å; L288-L292 PolarHBondContact O-N 3.21Å; A289-L292 PolarHBondContact O-N 3.39Å; L292-L294 VanDerWaalsContact C-N 3.34Å; L292-L295 HydrophobicContact CD2-CD1 4.45Å; L292-L296 PolarHBondContact O-N 3.25Å
293L92.5Very high88.8Confident17 Ų1753.2 Ų53.29%0.08929%0.285CS..Hα-helixtrans-67.6-33.2171.4-73.2177.9000112.6P258 C259 L262 A289 F290 F291 L296 L297 Y315P258-L293 HydrophobicContact CB-CD1 4.47Å; P258-L293 HydrophobicContact CB-CD2 4.42Å; C259-L293 HydrophobicContact CB-CD1 4.38Å; L262-L293 HydrophobicContact CD1-CD1 3.66Å; A289-L293 PolarHBondContact O-N 2.77Å; A289-L293 VanDerWaalsContact O-N 3.09Å; F290-L293 PolarHBondContact O-N 2.86Å; F291-L293 PolarHBondContact O-N 3.48Å; L293-L296 PolarHBondContact O-N 3.03Å; L293-L297 WeakPolarHBondContact O-CB 3.47Å; L293-L297 PolarHBondContact O-N 3.09Å; L293-Y315 HydrophobicContact CB-CD2 4.41Å; L293-Y315 HydrophobicContact CB-CE2 3.93Å; L293-Y315 HydrophobicContact CD1-CE1 4.42Å
294L91.7Very high87.6Confident33 Ų3356.9 Ų56.917%0.17332%0.315CS..Hα-helixtrans-68.5-42.7175.1-17762000111.7F290 F291 L292 L296 L297 E298 F308 Y315 M319F290-L294 PolarHBondContact O-N 3.3Å; F291-L294 WeakPolarHBondContact O-CB 3.47Å; F291-L294 PolarHBondContact O-N 2.9Å; F291-L294 VanDerWaalsContact O-N 3.16Å; L292-L294 VanDerWaalsContact C-N 3.34Å; L294-L296 VanDerWaalsContact C-N 3.32Å; L294-L296 PolarHBondContact O-N 3.43Å; L294-L297 HydrophobicContact CD1-CD2 4.48Å; L294-L297 WeakPolarHBondContact O-CB 3.47Å; L294-L297 PolarHBondContact O-N 2.97Å; L294-E298 PolarHBondContact O-N 2.72Å; L294-F308 HydrophobicContact CD1-CZ 4.11Å; L294-Y315 HydrophobicContact CB-CD2 4.4Å; L294-Y315 HydrophobicContact CD1-CD2 4.41Å; L294-M319 HydrophobicContact CD2-SD 4.4Å
295L91.6Very high86.5Confident57 Ų5754.3 Ų54.330%0.29831%0.306SS..Hα-helixtrans-63-36.7172.6-67.2174.8000112.1F291 L292 L297 E298 N299F291-L295 HydrophobicContact CD1-CD1 4.13Å; F291-L295 HydrophobicContact CE1-CD1 3.73Å; F291-L295 HydrophobicContact CE1-CG 4.24Å; F291-L295 HydrophobicContact CZ-CD1 4.13Å; F291-L295 HydrophobicContact CZ-CD2 4.14Å; F291-L295 HydrophobicContact CZ-CG 4.21Å; F291-L295 WeakPolarHBondContact O-CG 3.38Å; F291-L295 PolarHBondContact O-N 2.99Å; L292-L295 HydrophobicContact CD2-CD1 4.45Å; L295-L297 VanDerWaalsContact C-N 3.32Å; L295-E298 WeakPolarHBondContact CD2-OE2 3.08Å; L295-E298 PolarHBondContact O-N 3.48Å; L295-N299 PolarHBondContact O-ND2 3.01Å
296L90.8Very high85.2Confident82 Ų8256.1 Ų56.143%0.42933%0.326SS..Hα-helixtrans-65.9-36.6174.3-175.859.6000111.8I254 L255 L292 L293 L294I254-L296 HydrophobicContact CG2-CD2 3.76Å; L255-L296 HydrophobicContact CD2-CB 4.5Å; L255-L296 HydrophobicContact CD2-CD2 3.91Å; L255-L296 HydrophobicContact CD2-CG 4.04Å; L292-L296 PolarHBondContact O-N 3.25Å; L293-L296 PolarHBondContact O-N 3.03Å; L294-L296 VanDerWaalsContact C-N 3.32Å; L294-L296 PolarHBondContact O-N 3.43Å
297L89.1Confident84.4Confident0 Ų058.1 Ų58.10%034%0.341CS..Hα-helixtrans-71.9-36.1176.1-178.170.2000112.6F173 L255 L293 L294 L295 N299 S300 I301 P309 I311 Y315F173-L297 HydrophobicContact CD1-CD1 3.97Å; F173-L297 HydrophobicContact CE1-CD1 3.69Å; L255-L297 HydrophobicContact CD1-CD1 4.06Å; L293-L297 WeakPolarHBondContact O-CB 3.47Å; L293-L297 PolarHBondContact O-N 3.09Å; L294-L297 HydrophobicContact CD1-CD2 4.48Å; L294-L297 WeakPolarHBondContact O-CB 3.47Å; L294-L297 PolarHBondContact O-N 2.97Å; L295-L297 VanDerWaalsContact C-N 3.32Å; L297-N299 VanDerWaalsContact C-N 3.25Å; L297-N299 PolarHBondContact O-N 2.97Å; L297-S300 PolarHBondContact O-N 3.16Å; L297-I301 HydrophobicContact CD2-CD1 4.12Å; L297-I301 HydrophobicContact CG-CD1 3.82Å; L297-I301 HydrophobicContact CG-CG1 4.39Å; L297-I301 WeakPolarHBondContact O-CG1 3.16Å; L297-P309 HydrophobicContact CD2-CG 4.31Å; L297-I311 HydrophobicContact CD1-CG2 4.05Å; L297-I311 HydrophobicContact CD2-CG2 4.05Å; L297-Y315 HydrophobicContact CB-CE2 4.32Å; L297-Y315 HydrophobicContact CD2-CD2 4.12Å; L297-Y315 HydrophobicContact CD2-CE2 4.01Å
298E88.5Confident84Confident123 Ų12358.4 Ų58.458%0.57534%0.342SS*.Hα-helixtrans-54.6-39.8178.1-176178178.200112.4L294 L295 S300 I301L294-E298 PolarHBondContact O-N 2.72Å; L295-E298 WeakPolarHBondContact CD2-OE2 3.08Å; L295-E298 PolarHBondContact O-N 3.48Å; E298-S300 PolarHBondContact O-N 2.87Å; E298-I301 PolarHBondContact O-N 2.98Å; E298-I301 VanDerWaalsContact O-N 3.1Å
299N82.4Confident83.7Confident119 Ų11955.8 Ų55.864%0.63633%0.328SS*.THydrogen-bonded Turntrans-63.5-12176.5-70.7-80.3000114.2N84 L295 L297N84-N299 PolarHBondContact ND2-O 3.15Å; L295-N299 PolarHBondContact O-ND2 3.01Å; L297-N299 VanDerWaalsContact C-N 3.25Å; L297-N299 PolarHBondContact O-N 2.97Å
300S80.3Confident83.4Confident32 Ų3256.3 Ų56.322%0.22433%0.327CS..THydrogen-bonded Turntrans-115.415.5177.7-53.60000113.1L297 E298L297-S300 PolarHBondContact O-N 3.16Å; E298-S300 PolarHBondContact O-N 2.87Å
301I83.7Confident83.2Confident23 Ų2356.9 Ų56.912%0.11833%0.33CS..SBendtrans-115127-179.5-72.3174.2000110.7N84 I170 L297 E298 S303 F308 P309N84-I301 VanDerWaalsContact OD1-C 3.3Å; N84-I301 PolarHBondContact OD1-N 2.77Å; N84-I301 PolarHBondContact OD1-O 3.15Å; I170-I301 HydrophobicContact CD1-CB 4.44Å; I170-I301 HydrophobicContact CD1-CG1 4.2Å; I170-I301 HydrophobicContact CD1-CG2 3.88Å; L297-I301 HydrophobicContact CD2-CD1 4.12Å; L297-I301 HydrophobicContact CG-CD1 3.82Å; L297-I301 HydrophobicContact CG-CG1 4.39Å; L297-I301 WeakPolarHBondContact O-CG1 3.16Å; E298-I301 PolarHBondContact O-N 2.98Å; E298-I301 VanDerWaalsContact O-N 3.1Å; I301-S303 PolarHBondContact O-N 3.34Å; I301-F308 HydrophobicContact CD1-CD2 4.44Å; I301-F308 HydrophobicContact CD1-CE2 4.1Å; I301-P309 HydrophobicContact CD1-CG 3.67Å; I301-P309 HydrophobicContact CG1-CG 4.19Å
302P82.2Confident83Confident0 Ų052.8 Ų52.80%031%0.312CS..  trans-50.7121.9164.2-2.6-7.4000112.8E83 Q86 I170 A304 S305E83-P302 HydrophobicContact CB-CG 4.46Å; E83-P302 WeakPolarHBondContact O-CB 3.31Å; E83-P302 VanDerWaalsContact O-CG 3.28Å; E83-P302 WeakPolarHBondContact O-CG 3.28Å; Q86-P302 HydrophobicContact CG-CB 4.36Å; I170-P302 HydrophobicContact CD1-CG 4.26Å; I170-P302 HydrophobicContact CG2-CG 3.9Å; P302-A304 PolarHBondContact O-N 2.86Å; P302-S305 VanDerWaalsContact O-CB 3.24Å; P302-S305 WeakPolarHBondContact O-CB 3.03Å; P302-S305 PolarHBondContact O-N 3.21Å; P302-S305 PolarHBondContact O-OG 3.15Å
303S71.7Confident82.8Confident125 Ų12551.7 Ų51.787%0.87431%0.307SS*.THydrogen-bonded Turntrans-56.1-22.7170.5-46.60000112.6I301I301-S303 PolarHBondContact O-N 3.34Å
304A63.3Low82.7Confident76 Ų7650.9 Ų50.963%0.62830%0.303SS*.THydrogen-bonded Turntrans-100.824.4174.700000113.8P302 S306P302-A304 PolarHBondContact O-N 2.86Å; A304-S306 PolarHBondContact O-N 3.25Å
305S65.5Low82.6Confident38 Ų3849.3 Ų49.327%0.26629%0.294SS..  trans-68118.8-178.672.30000111.8P302 S307P302-S305 VanDerWaalsContact O-CB 3.24Å; P302-S305 WeakPolarHBondContact O-CB 3.03Å; P302-S305 PolarHBondContact O-N 3.21Å; P302-S305 PolarHBondContact O-OG 3.15Å; S305-S307 PolarHBondContact O-N 3.33Å
306S66Low82.6Confident129 Ų12948.9 Ų48.990%0.90230%0.295SS*.SBendtrans-69.6-10.3172.959.10000113.9A304A304-S306 PolarHBondContact O-N 3.25Å
307S74Confident82.5Confident47 Ų4747.5 Ų47.533%0.32929%0.288SS..SBendtrans-147128.417652.80000111.3I170 S305I170-S307 WeakPolarHBondContact CG1-O 3.28Å; S305-S307 PolarHBondContact O-N 3.33Å
308F82.9Confident82.5Confident85 Ų8547.5 Ų47.537%0.37329%0.288SS..  trans-76.8135.2176.4-170.3-119.2000110.1L294 I301 N313L294-F308 HydrophobicContact CD1-CZ 4.11Å; I301-F308 HydrophobicContact CD1-CD2 4.44Å; I301-F308 HydrophobicContact CD1-CE2 4.1Å; F308-N313 WeakPolarHBondContact CD1-ND2 3.46Å; F308-N313 PolarHBondContact O-ND2 2.99Å
309P88.5Confident82.6Confident1 Ų142.7 Ų42.71%0.00627%0.266CS..  trans-68.1153.1-17027.3-35.1000112.9I170 F173 L297 I301 I311 G312 N313I170-P309 HydrophobicContact CD1-CG 4.4Å; F173-P309 HydrophobicContact CB-CB 4.48Å; L297-P309 HydrophobicContact CD2-CG 4.31Å; I301-P309 HydrophobicContact CD1-CG 3.67Å; I301-P309 HydrophobicContact CG1-CG 4.19Å; P309-I311 VanDerWaalsContact C-N 3.29Å; P309-I311 HydrophobicContact CB-CG2 4.34Å; P309-I311 PolarHBondContact O-N 3.44Å; P309-G312 PolarHBondContact O-N 3.47Å; P309-G312 VanDerWaalsContact O-N 3.11Å; P309-N313 PolarHBondContact O-N 2.84Å; P309-N313 VanDerWaalsContact O-N 3.09Å; P309-N313 PolarHBondContact O-ND2 3.17Å
310L87.8Confident82.9Confident38 Ų3841.5 Ų41.520%0.19926%0.263CS..Hα-helixtrans-59.9-37.1-178-71170.4000112.8K171 Y172 N313 Y314 Y792 P794K171-L310 WeakPolarHBondContact O-CG 3.43Å; K171-L310 PolarHBondContact O-N 2.9Å; K171-L310 VanDerWaalsContact O-N 3.11Å; Y172-L310 HydrophobicContact CD1-CD1 3.66Å; Y172-L310 HydrophobicContact CE1-CD1 3.73Å; L310-N313 PolarHBondContact O-N 3.41Å; L310-Y314 PolarHBondContact O-N 3.04Å; L310-Y792 HydrophobicContact CB-CD1 4.14Å; L310-Y792 HydrophobicContact CD2-CD1 3.72Å; L310-Y792 HydrophobicContact CD2-CE1 3.95Å; L310-Y792 VanDerWaalsContact O-CD1 3.31Å; L310-Y792 WeakPolarHBondContact O-CD1 3.33Å; L310-P794 HydrophobicContact CD1-CG 4.42Å
311I88.1Confident83.3Confident12 Ų1241.2 Ų41.26%0.06226%0.258CS..Hα-helixtrans-66.6-36.3176.2-172.760.7000112.7F173 L297 P309 Y314 Y315 F793F173-I311 HydrophobicContact CD1-CG2 4.4Å; L297-I311 HydrophobicContact CD1-CG2 4.05Å; L297-I311 HydrophobicContact CD2-CG2 4.05Å; P309-I311 VanDerWaalsContact C-N 3.29Å; P309-I311 HydrophobicContact CB-CG2 4.34Å; P309-I311 PolarHBondContact O-N 3.44Å; I311-Y314 WeakPolarHBondContact O-CB 3.31Å; I311-Y314 PolarHBondContact O-N 3.5Å; I311-Y315 HydrophobicContact CD1-CD1 4.41Å; I311-Y315 HydrophobicContact CD1-CE1 3.72Å; I311-Y315 HydrophobicContact CG1-CE1 3.95Å; I311-Y315 HydrophobicContact CG1-CE2 4.24Å; I311-Y315 PolarHBondContact O-N 2.98Å; I311-F793 HydrophobicContact CD1-CZ 4.43Å
312G89.4Confident83.6Confident0 Ų040.3 Ų40.30%025%0.254CS..Hα-helixtrans-65.8-43.417400000112P309 Y314 Y315 C316P309-G312 PolarHBondContact O-N 3.47Å; P309-G312 VanDerWaalsContact O-N 3.11Å; G312-Y314 VanDerWaalsContact C-N 3.31Å; G312-Y314 PolarHBondContact O-N 2.82Å; G312-Y315 PolarHBondContact O-N 3.43Å; G312-Y315 VanDerWaalsContact O-N 3.17Å; G312-C316 PolarHBondContact O-N 3.36Å; G312-C316 PolarHBondContact O-SG 3.42Å; G312-C316 VanDerWaalsContact O-SG 3.41Å
313N88.5Confident83.9Confident49 Ų4943.5 Ų43.526%0.26227%0.274SS..Hα-helixtrans-59.2-41.3173.1-75.1-79.6000112F308 P309 L310 Y315 C316 I317 Y792F308-N313 WeakPolarHBondContact CD1-ND2 3.46Å; F308-N313 PolarHBondContact O-ND2 2.99Å; P309-N313 PolarHBondContact O-N 2.84Å; P309-N313 VanDerWaalsContact O-N 3.09Å; P309-N313 PolarHBondContact O-ND2 3.17Å; L310-N313 PolarHBondContact O-N 3.41Å; N313-Y315 PolarHBondContact O-N 2.97Å; N313-C316 PolarHBondContact O-N 2.89Å; N313-I317 WeakPolarHBondContact O-CG1 3.41Å; N313-I317 PolarHBondContact O-N 3.5Å; N313-Y792 HydrophobicContact CB-CD1 3.89Å; N313-Y792 HydrophobicContact CB-CE1 3.36Å
314Y89.9Confident84.7Confident0 Ų041.9 Ų41.90%026%0.255CS..Hα-helixtrans-60.4-42.7174.4-178.5-90.5000112C259 S263 L310 I311 G312 I317 N318 S788 I789 F793C259-Y314 WeakPolarHBondContact SG-CE1 3.49Å; S263-Y314 PolarHBondContact OG-OH 3.38Å; L310-Y314 PolarHBondContact O-N 3.04Å; I311-Y314 WeakPolarHBondContact O-CB 3.31Å; I311-Y314 PolarHBondContact O-N 3.5Å; G312-Y314 VanDerWaalsContact C-N 3.31Å; G312-Y314 PolarHBondContact O-N 2.82Å; Y314-I317 PolarHBondContact O-N 2.86Å; Y314-N318 WeakPolarHBondContact CD1-ND2 3.45Å; Y314-N318 WeakPolarHBondContact CE1-ND2 3.2Å; Y314-N318 WeakPolarHBondContact CE2-ND2 3.5Å; Y314-N318 PolarHBondContact O-N 3.47Å; Y314-N318 PolarHBondContact O-ND2 2.96Å; Y314-S788 VanDerWaalsContact CD2-OG 3.24Å; Y314-S788 WeakPolarHBondContact CD2-OG 3.34Å; Y314-S788 WeakPolarHBondContact CE2-OG 3.03Å; Y314-I789 HydrophobicContact CE2-CG1 3.9Å; Y314-F793 HydrophobicContact CD2-CE2 4.07Å; Y314-F793 HydrophobicContact CE1-CE2 4.48Å; Y314-F793 AromaticContact CE2-CE2 3.96Å; Y314-F793 HydrophobicContact CE2-CE2 3.96Å; Y314-F793 HydrophobicContact CG-CE2 4.38Å
315Y91.4Very high85.8Confident0 Ų038.8 Ų38.80%023%0.228CC..Hα-helixtrans-61-48.8174.4-62.4-19.2000111.9L255 C259 F290 L293 L294 L297 I311 G312 N313 I317 N318 M319L255-Y315 PolarHBondContact O-OH 2.88Å; C259-Y315 HydrophobicContact CB-CE1 3.86Å; F290-Y315 HydrophobicContact CD1-CD1 4.19Å; L293-Y315 HydrophobicContact CB-CD2 4.41Å; L293-Y315 HydrophobicContact CB-CE2 3.93Å; L293-Y315 HydrophobicContact CD1-CE1 4.42Å; L294-Y315 HydrophobicContact CB-CD2 4.4Å; L294-Y315 HydrophobicContact CD1-CD2 4.41Å; L297-Y315 HydrophobicContact CB-CE2 4.32Å; L297-Y315 HydrophobicContact CD2-CD2 4.12Å; L297-Y315 HydrophobicContact CD2-CE2 4.01Å; I311-Y315 HydrophobicContact CD1-CD1 4.41Å; I311-Y315 HydrophobicContact CD1-CE1 3.72Å; I311-Y315 HydrophobicContact CG1-CE1 3.95Å; I311-Y315 HydrophobicContact CG1-CE2 4.24Å; I311-Y315 PolarHBondContact O-N 2.98Å; G312-Y315 PolarHBondContact O-N 3.43Å; G312-Y315 VanDerWaalsContact O-N 3.17Å; N313-Y315 PolarHBondContact O-N 2.97Å; Y315-I317 VanDerWaalsContact C-N 3.31Å; Y315-I317 PolarHBondContact O-N 3.26Å; Y315-N318 PolarHBondContact O-N 3.49Å; Y315-N318 VanDerWaalsContact O-N 3.15Å; Y315-M319 WeakPolarHBondContact O-CG 3.38Å; Y315-M319 PolarHBondContact O-N 3.25Å
316C90.4Very high86.6Confident47 Ų4738.4 Ų38.432%0.31822%0.224SC..Hα-helixtrans-59.2-39.8178.4-66.80000112.7G312 N313 T320G312-C316 PolarHBondContact O-N 3.36Å; G312-C316 PolarHBondContact O-SG 3.42Å; G312-C316 VanDerWaalsContact O-SG 3.41Å; N313-C316 PolarHBondContact O-N 2.89Å; C316-T320 WeakPolarHBondContact O-CB 3.42Å; C316-T320 PolarHBondContact O-N 2.8Å; C316-T320 PolarHBondContact O-OG1 3.1Å
317I88.7Confident87.6Confident54 Ų5438.1 Ų38.128%0.27721%0.207SC..Hα-helixtrans-66.8-43.2175.3-72.3167.1000111.2N313 Y314 Y315 T320 L321 Y792N313-I317 WeakPolarHBondContact O-CG1 3.41Å; N313-I317 PolarHBondContact O-N 3.5Å; Y314-I317 PolarHBondContact O-N 2.86Å; Y315-I317 VanDerWaalsContact C-N 3.31Å; Y315-I317 PolarHBondContact O-N 3.26Å; I317-T320 WeakPolarHBondContact O-CB 3.29Å; I317-T320 PolarHBondContact O-N 3.47Å; I317-L321 HydrophobicContact CG2-CD1 3.94Å; I317-L321 HydrophobicContact CG2-CG 4.32Å; I317-L321 WeakPolarHBondContact O-CG 3.19Å; I317-L321 PolarHBondContact O-N 2.98Å; I317-Y792 HydrophobicContact CD1-CD2 4.19Å; I317-Y792 HydrophobicContact CD1-CE2 3.29Å; I317-Y792 WeakPolarHBondContact CD1-OH 3.44Å
318N88.4Confident88.1Confident0 Ų037.7 Ų37.70%020%0.201CC..Hα-helixtrans-66.6-39.9177.8-80.6-85.5000112.3F290 Y314 Y315 T320 L321 V322F290-N318 HydrophobicContact CD2-CB 4.39Å; F290-N318 HydrophobicContact CE1-CB 4.2Å; F290-N318 HydrophobicContact CE2-CB 4.07Å; F290-N318 HydrophobicContact CZ-CB 3.96Å; Y314-N318 WeakPolarHBondContact CD1-ND2 3.45Å; Y314-N318 WeakPolarHBondContact CE1-ND2 3.2Å; Y314-N318 WeakPolarHBondContact CE2-ND2 3.5Å; Y314-N318 PolarHBondContact O-N 3.47Å; Y314-N318 PolarHBondContact O-ND2 2.96Å; Y315-N318 PolarHBondContact O-N 3.49Å; Y315-N318 VanDerWaalsContact O-N 3.15Å; N318-T320 VanDerWaalsContact C-N 3.31Å; N318-T320 PolarHBondContact O-N 2.93Å; N318-L321 PolarHBondContact O-N 3.03Å; N318-V322 WeakPolarHBondContact O-CB 3.45Å; N318-V322 VanDerWaalsContact O-CG2 3.28Å; N318-V322 WeakPolarHBondContact O-CG2 3.31Å; N318-V322 PolarHBondContact O-N 3.42Å
319M90.6Very high88Confident22 Ų2234 Ų3411%0.10819%0.185CC..Hα-helixtrans-59.2-42171-71.1176.367.100111.7F287 F290 F291 L294 Y315 V322 T323F287-M319 HydrophobicContact CD2-CB 4.12Å; F287-M319 HydrophobicContact CD2-CE 4.27Å; F287-M319 HydrophobicContact CD2-CG 4.35Å; F287-M319 HydrophobicContact CE1-CE 3.97Å; F287-M319 HydrophobicContact CE2-CB 3.93Å; F287-M319 HydrophobicContact CE2-CE 3.61Å; F287-M319 HydrophobicContact CE2-CG 4.35Å; F287-M319 HydrophobicContact CZ-CE 3.44Å; F287-M319 VanDerWaalsContact CZ-CE 3.44Å; F290-M319 HydrophobicContact CB-CG 3.63Å; F290-M319 HydrophobicContact CB-SD 4.23Å; F291-M319 HydrophobicContact CB-CE 3.88Å; F291-M319 HydrophobicContact CB-SD 4.43Å; F291-M319 HydrophobicContact CD2-CE 3.97Å; F291-M319 HydrophobicContact CG-CE 4.35Å; L294-M319 HydrophobicContact CD2-SD 4.4Å; Y315-M319 WeakPolarHBondContact O-CG 3.38Å; Y315-M319 PolarHBondContact O-N 3.25Å; M319-V322 PolarHBondContact O-N 3.3Å; M319-T323 WeakPolarHBondContact O-CB 3.4Å; M319-T323 PolarHBondContact O-N 3.36Å; M319-T323 PolarHBondContact O-OG1 3.17Å
320T90.6Very high87.9Confident93 Ų9338 Ų3857%0.57121%0.207SC*.Hα-helixtrans-64.2-45.4176.1-57.90000111.9C316 I317 N318 T323 L324C316-T320 WeakPolarHBondContact O-CB 3.42Å; C316-T320 PolarHBondContact O-N 2.8Å; C316-T320 PolarHBondContact O-OG1 3.1Å; I317-T320 WeakPolarHBondContact O-CB 3.29Å; I317-T320 PolarHBondContact O-N 3.47Å; N318-T320 VanDerWaalsContact C-N 3.31Å; N318-T320 PolarHBondContact O-N 2.93Å; T320-T323 PolarHBondContact O-N 3.2Å; T320-L324 WeakPolarHBondContact O-CB 3.39Å; T320-L324 PolarHBondContact O-N 3.39Å
321L88.5Confident87.7Confident26 Ų2639.5 Ų39.514%0.13621%0.214CC..Hα-helixtrans-66.8-36.9178-68.8173.6000112.5I317 N318 S325 Y781 A784I317-L321 HydrophobicContact CG2-CD1 3.94Å; I317-L321 HydrophobicContact CG2-CG 4.32Å; I317-L321 WeakPolarHBondContact O-CG 3.19Å; I317-L321 PolarHBondContact O-N 2.98Å; N318-L321 PolarHBondContact O-N 3.03Å; L321-S325 VanDerWaalsContact O-CB 3.25Å; L321-S325 WeakPolarHBondContact O-CB 3.48Å; L321-S325 PolarHBondContact O-N 3.48Å; L321-Y781 HydrophobicContact CB-CD2 4.11Å; L321-Y781 HydrophobicContact CB-CE2 3.63Å; L321-A784 HydrophobicContact CD1-CB 3.95Å; L321-A784 HydrophobicContact CD2-CB 3.68Å
322V88.6Confident87.3Confident4 Ų439.1 Ų39.12%0.02421%0.212CC..Hα-helixtrans-68.3-39.7173.8171.10000110.9T266 G283 I286 F287 N318 M319 S325 T326T266-V322 HydrophobicContact CG2-CG2 3.84Å; G283-V322 WeakPolarHBondContact O-CG1 3.36Å; I286-V322 HydrophobicContact CG2-CG2 4.28Å; F287-V322 HydrophobicContact CB-CG1 4.04Å; N318-V322 WeakPolarHBondContact O-CB 3.45Å; N318-V322 VanDerWaalsContact O-CG2 3.28Å; N318-V322 WeakPolarHBondContact O-CG2 3.31Å; N318-V322 PolarHBondContact O-N 3.42Å; M319-V322 PolarHBondContact O-N 3.3Å; V322-S325 PolarHBondContact O-N 3.26Å; V322-T326 WeakPolarHBondContact O-CG2 3.32Å; V322-T326 PolarHBondContact O-N 2.8Å; V322-T326 PolarHBondContact O-OG1 3.44Å; V322-T326 VanDerWaalsContact O-OG1 3.07Å
323T89.7Confident87Confident67 Ų6740.7 Ų40.741%0.41122%0.222SC..Hα-helixtrans-64.6-44175.8-57.20000111.6F287 M319 T320 T326 F327F287-T323 WeakPolarHBondContact CE2-OG1 3.18Å; M319-T323 WeakPolarHBondContact O-CB 3.4Å; M319-T323 PolarHBondContact O-N 3.36Å; M319-T323 PolarHBondContact O-OG1 3.17Å; T320-T323 PolarHBondContact O-N 3.2Å; T323-T326 PolarHBondContact O-OG1 3.46Å; T323-T326 VanDerWaalsContact O-OG1 3.08Å; T323-F327 WeakPolarHBondContact O-CB 3.37Å; T323-F327 PolarHBondContact O-N 2.95Å
324L88.3Confident86.7Confident92 Ų9242.2 Ų42.248%0.48223%0.23SC..Hα-helixtrans-63.6-42.2174.2-177.561.4000111.3T320 F327 L328T320-L324 WeakPolarHBondContact O-CB 3.39Å; T320-L324 PolarHBondContact O-N 3.39Å; L324-F327 PolarHBondContact O-N 2.88Å; L324-L328 HydrophobicContact CD1-CD1 4.2Å; L324-L328 HydrophobicContact CD1-CG 4.3Å; L324-L328 HydrophobicContact CG-CD1 3.97Å; L324-L328 HydrophobicContact CG-CG 4.49Å; L324-L328 WeakPolarHBondContact O-CB 3.48Å; L324-L328 WeakPolarHBondContact O-CG 3.28Å; L324-L328 PolarHBondContact O-N 3.41Å
325S85.4Confident86.2Confident10 Ų1043.8 Ų43.87%0.0724%0.238CC..Hα-helixtrans-61.6-47.2176.9178.60000112.7F270 L321 V322 L328 C329F270-S325 WeakPolarHBondContact CZ-OG 3.34Å; L321-S325 VanDerWaalsContact O-CB 3.25Å; L321-S325 WeakPolarHBondContact O-CB 3.48Å; L321-S325 PolarHBondContact O-N 3.48Å; V322-S325 PolarHBondContact O-N 3.26Å; S325-L328 PolarHBondContact O-N 3.35Å; S325-C329 WeakPolarHBondContact O-CB 3.37Å; S325-C329 PolarHBondContact O-N 3.01Å
326T84.1Confident85.3Confident30 Ų3046.6 Ų46.618%0.18425%0.251CS..Hα-helixtrans-67.6-36.1178.252.70000112V322 T323 C329 L330V322-T326 WeakPolarHBondContact O-CG2 3.32Å; V322-T326 PolarHBondContact O-N 2.8Å; V322-T326 PolarHBondContact O-OG1 3.44Å; V322-T326 VanDerWaalsContact O-OG1 3.07Å; T323-T326 PolarHBondContact O-OG1 3.46Å; T323-T326 VanDerWaalsContact O-OG1 3.08Å; T326-C329 WeakPolarHBondContact O-CB 3.45Å; T326-C329 PolarHBondContact O-N 3.47Å; T326-L330 PolarHBondContact O-N 3.41Å
327F86Confident84.7Confident123 Ų12350.3 Ų50.354%0.53926%0.262SS..Hα-helixtrans-64.1-43.4171.9-178-102.9000112.7T323 L324 C329 L330 I331T323-F327 WeakPolarHBondContact O-CB 3.37Å; T323-F327 PolarHBondContact O-N 2.95Å; L324-F327 PolarHBondContact O-N 2.88Å; F327-C329 VanDerWaalsContact C-N 3.32Å; F327-C329 PolarHBondContact O-N 3.19Å; F327-L330 WeakPolarHBondContact O-CB 3.41Å; F327-L330 PolarHBondContact O-N 3.31Å; F327-I331 HydrophobicContact CD1-CD1 4.09Å; F327-I331 HydrophobicContact CE1-CD1 3.66Å; F327-I331 HydrophobicContact CZ-CD1 4.17Å; F327-I331 PolarHBondContact O-N 3Å; F327-I331 VanDerWaalsContact O-N 3.14Å
328L83.7Confident83.9Confident39 Ų3954.2 Ų54.220%0.20427%0.273CS..Hα-helixtrans-65.6-35.7174.2-69.2169.8000111.7L324 S325 I331 V332 F777L324-L328 HydrophobicContact CD1-CD1 4.2Å; L324-L328 HydrophobicContact CD1-CG 4.3Å; L324-L328 HydrophobicContact CG-CD1 3.97Å; L324-L328 HydrophobicContact CG-CG 4.49Å; L324-L328 WeakPolarHBondContact O-CB 3.48Å; L324-L328 WeakPolarHBondContact O-CG 3.28Å; L324-L328 PolarHBondContact O-N 3.41Å; S325-L328 PolarHBondContact O-N 3.35Å; L328-I331 HydrophobicContact CD2-CD1 4.48Å; L328-I331 WeakPolarHBondContact O-CB 3.39Å; L328-I331 PolarHBondContact O-N 3.09Å; L328-V332 WeakPolarHBondContact O-CG2 3.41Å; L328-V332 PolarHBondContact O-N 3.11Å; L328-F777 HydrophobicContact CB-CD2 3.91Å; L328-F777 HydrophobicContact CB-CE2 3.89Å; L328-F777 HydrophobicContact CB-CG 4.37Å; L328-F777 HydrophobicContact CB-CZ 4.33Å; L328-F777 HydrophobicContact CD1-CD1 3.84Å; L328-F777 HydrophobicContact CD1-CD2 4.38Å; L328-F777 HydrophobicContact CD1-CE1 4.09Å; L328-F777 HydrophobicContact CD1-CG 4.01Å; L328-F777 HydrophobicContact CD1-CZ 4.48Å; L328-F777 HydrophobicContact CD2-CE1 3.98Å; L328-F777 HydrophobicContact CD2-CE2 4.25Å; L328-F777 HydrophobicContact CD2-CZ 3.82Å; L328-F777 HydrophobicContact CG-CE1 4.5Å; L328-F777 HydrophobicContact CG-CE2 4.47Å; L328-F777 HydrophobicContact CG-CZ 4.43Å
329C82.2Confident82.9Confident6 Ų654.3 Ų54.34%0.04127%0.274CS..Hα-helixtrans-62.3-43.7172.6-169.30000111.8S325 T326 F327 I331 V332 V333S325-C329 WeakPolarHBondContact O-CB 3.37Å; S325-C329 PolarHBondContact O-N 3.01Å; T326-C329 WeakPolarHBondContact O-CB 3.45Å; T326-C329 PolarHBondContact O-N 3.47Å; F327-C329 VanDerWaalsContact C-N 3.32Å; F327-C329 PolarHBondContact O-N 3.19Å; C329-I331 VanDerWaalsContact C-N 3.26Å; C329-I331 PolarHBondContact O-N 3.24Å; C329-V332 PolarHBondContact O-N 3.44Å; C329-V332 VanDerWaalsContact O-N 3.15Å; C329-V333 WeakPolarHBondContact O-CG2 3.4Å; C329-V333 PolarHBondContact O-N 2.8Å
330L85Confident81.9Confident87 Ų8758.1 Ų58.146%0.45530%0.295SS..Hα-helixtrans-57.6-38.5173.2-78.2166.1000112.1M280 T326 F327 N334M280-L330 HydrophobicContact CE-CD2 3.55Å; M280-L330 HydrophobicContact CE-CG 4.34Å; M280-L330 HydrophobicContact SD-CD2 4Å; T326-L330 PolarHBondContact O-N 3.41Å; F327-L330 WeakPolarHBondContact O-CB 3.41Å; F327-L330 PolarHBondContact O-N 3.31Å; L330-N334 WeakPolarHBondContact O-CB 3.3Å; L330-N334 PolarHBondContact O-N 2.61Å
331I83.8Confident80.7Confident69 Ų6963.6 Ų63.635%0.35431%0.305SS..Hα-helixtrans-65.2-47.1174.1-66.9170.2000110.9F327 L328 C329 V333 N334 L335F327-I331 HydrophobicContact CD1-CD1 4.09Å; F327-I331 HydrophobicContact CE1-CD1 3.66Å; F327-I331 HydrophobicContact CZ-CD1 4.17Å; F327-I331 PolarHBondContact O-N 3Å; F327-I331 VanDerWaalsContact O-N 3.14Å; L328-I331 HydrophobicContact CD2-CD1 4.48Å; L328-I331 WeakPolarHBondContact O-CB 3.39Å; L328-I331 PolarHBondContact O-N 3.09Å; C329-I331 VanDerWaalsContact C-N 3.26Å; C329-I331 PolarHBondContact O-N 3.24Å; I331-V333 VanDerWaalsContact C-N 3.33Å; I331-V333 PolarHBondContact O-N 2.87Å; I331-N334 WeakPolarHBondContact O-CB 3.08Å; I331-N334 PolarHBondContact O-N 3.23Å; I331-L335 HydrophobicContact CG2-CD1 4.08Å; I331-L335 HydrophobicContact CG2-CG 4.35Å; I331-L335 VanDerWaalsContact O-CG 3.32Å; I331-L335 WeakPolarHBondContact O-CG 3.4Å; I331-L335 PolarHBondContact O-N 3.38Å
332V81.2Confident79.6Confident3 Ų369 Ų692%0.01832%0.324CS..Hα-helixtrans-60.3-42.4177.9174.80000111.5P274 L328 C329 L335 H336 L773 F777P274-V332 HydrophobicContact CB-CG1 3.77Å; P274-V332 HydrophobicContact CG-CG1 3.92Å; L328-V332 WeakPolarHBondContact O-CG2 3.41Å; L328-V332 PolarHBondContact O-N 3.11Å; C329-V332 PolarHBondContact O-N 3.44Å; C329-V332 VanDerWaalsContact O-N 3.15Å; V332-L335 PolarHBondContact O-N 3.27Å; V332-H336 PolarHBondContact O-N 2.87Å; V332-L773 HydrophobicContact CG2-CB 4.12Å; V332-F777 HydrophobicContact CG2-CD2 4.4Å; V332-F777 HydrophobicContact CG2-CE2 3.83Å
333V82.1Confident78.7Confident33 Ų3372.3 Ų72.320%0.234%0.344CS..Hα-helixtrans-62.8-43.1174.8171.90000111.3P274 C329 I331 L335 H336 F337P274-V333 WeakPolarHBondContact O-CG2 3.28Å; C329-V333 WeakPolarHBondContact O-CG2 3.4Å; C329-V333 PolarHBondContact O-N 2.8Å; I331-V333 VanDerWaalsContact C-N 3.33Å; I331-V333 PolarHBondContact O-N 2.87Å; V333-L335 PolarHBondContact O-N 3.41Å; V333-H336 PolarHBondContact O-N 2.93Å; V333-F337 HydrophobicContact CG1-CD2 3.74Å; V333-F337 HydrophobicContact CG1-CE2 3.55Å; V333-F337 VanDerWaalsContact O-CD2 3.28Å; V333-F337 WeakPolarHBondContact O-CD2 3.05Å; V333-F337 PolarHBondContact O-N 3.14Å
334N82.9Confident77.9Confident82 Ų8276.7 Ų76.744%0.43936%0.36SS..Hα-helixtrans-61.6-42.3175.4-160.5-75.5000111.9L330 I331 R338L330-N334 WeakPolarHBondContact O-CB 3.3Å; L330-N334 PolarHBondContact O-N 2.61Å; I331-N334 WeakPolarHBondContact O-CB 3.08Å; I331-N334 PolarHBondContact O-N 3.23Å; N334-R338 VanDerWaalsContact O-CG 3.3Å; N334-R338 WeakPolarHBondContact O-CG 3.4Å; N334-R338 PolarHBondContact O-N 3.4Å; N334-R338 PolarHBondContact OD1-NE 2.84Å; N334-R338 PolarHBondContact OD1-NH2 2.79Å
335L78Confident77.2Confident32 Ų3273 Ų7317%0.16834%0.341CS..Hα-helixtrans-66.5-37.2176.6-66.6176.9000112.2I331 V332 V333 R338 G339 W766 L773I331-L335 HydrophobicContact CG2-CD1 4.08Å; I331-L335 HydrophobicContact CG2-CG 4.35Å; I331-L335 VanDerWaalsContact O-CG 3.32Å; I331-L335 WeakPolarHBondContact O-CG 3.4Å; I331-L335 PolarHBondContact O-N 3.38Å; V332-L335 PolarHBondContact O-N 3.27Å; V333-L335 PolarHBondContact O-N 3.41Å; L335-R338 PolarHBondContact O-N 3.42Å; L335-G339 PolarHBondContact O-N 3.18Å; L335-W766 HydrophobicContact CB-CE3 4.24Å; L335-W766 HydrophobicContact CB-CZ3 3.98Å; L335-W766 HydrophobicContact CD2-CH2 4.35Å; L335-W766 HydrophobicContact CD2-CZ3 3.95Å; L335-W766 HydrophobicContact CG-CZ3 4.41Å; L335-L773 HydrophobicContact CD1-CD1 3.94Å
336H73.9Confident76.8Confident59 Ų5975 Ų7527%0.27335%0.354SS..Hα-helixtrans-62.1-49.7174-177.4-95.8000112E275 V332 V333 R338 G339 D340 R767E275-H336 WeakPolarHBondContact CG-NE2 3.26Å; E275-H336 IonicContact OE1-CD2 2.72Å; E275-H336 IonicContact OE1-CE1 3.47Å; E275-H336 CovalentContact OE1-NE2 1.79Å; E275-H336 IonicContact OE1-NE2 2.69Å; E275-H336 PolarHBondContact OE1-NE2 3.42Å; E275-H336 IonicContact OE2-NE2 3.93Å; E275-H336 PolarHBondContact OE2-NE2 2.95Å; V332-H336 PolarHBondContact O-N 2.87Å; V333-H336 PolarHBondContact O-N 2.93Å; H336-R338 VanDerWaalsContact C-N 3.29Å; H336-R338 PolarHBondContact O-N 3Å; H336-G339 WeakPolarHBondContact O-CA 3.47Å; H336-G339 PolarHBondContact O-N 3.43Å; H336-D340 PolarHBondContact O-N 3.03Å; H336-R767 WeakPolarHBondContact NE2-CG 3.36Å; H336-R767 PolarHBondContact NE2-NE 3.22Å
337F76.8Confident76.3Confident126 Ų12681.5 Ų81.555%0.55338%0.38SS*.Hα-helixtrans-66.7-26.1175.7-73.3-59.7000113.6V333 G339 D340 R341V333-F337 HydrophobicContact CG1-CD2 3.74Å; V333-F337 HydrophobicContact CG1-CE2 3.55Å; V333-F337 VanDerWaalsContact O-CD2 3.28Å; V333-F337 WeakPolarHBondContact O-CD2 3.05Å; V333-F337 PolarHBondContact O-N 3.14Å; F337-G339 VanDerWaalsContact C-N 3.32Å; F337-D340 PolarHBondContact O-N 3.29Å; F337-R341 PolarHBondContact O-N 3.22Å
338R72.7Confident76Confident136 Ų13684 Ų8451%0.51339%0.386SS..Hα-helixtrans-66.6-34.2167.4-74.3174.9-167.9-144.51.8112N334 L335 H336 D340 R341 T343N334-R338 VanDerWaalsContact O-CG 3.3Å; N334-R338 WeakPolarHBondContact O-CG 3.4Å; N334-R338 PolarHBondContact O-N 3.4Å; N334-R338 PolarHBondContact OD1-NE 2.84Å; N334-R338 PolarHBondContact OD1-NH2 2.79Å; L335-R338 PolarHBondContact O-N 3.42Å; H336-R338 VanDerWaalsContact C-N 3.29Å; H336-R338 PolarHBondContact O-N 3Å; R338-D340 VanDerWaalsContact C-N 3.33Å; R338-D340 PolarHBondContact O-N 2.94Å; R338-R341 WeakPolarHBondContact O-CB 3.35Å; R338-R341 PolarHBondContact O-N 3.39Å; R338-R341 VanDerWaalsContact O-N 3.15Å; R338-T343 PolarHBondContact O-OG1 2.75Å
339G67.4Low75.6Confident1 Ų182.6 Ų82.61%0.0138%0.379CS..Hα-helixtrans-61.1-38.9173.800000113.5L335 H336 F337 R341 R342 W766L335-G339 PolarHBondContact O-N 3.18Å; H336-G339 WeakPolarHBondContact O-CA 3.47Å; H336-G339 PolarHBondContact O-N 3.43Å; F337-G339 VanDerWaalsContact C-N 3.32Å; G339-R341 VanDerWaalsContact C-N 3.28Å; G339-R341 PolarHBondContact O-N 3.3Å; G339-R342 PolarHBondContact O-N 3.07Å; G339-W766 VanDerWaalsContact CA-CG 3.46Å
340D68.4Low75.1Confident102 Ų10287.1 Ų87.155%0.54540%0.395SS..Hα-helixtrans-68.7-25.3175.3-167.749.8000113H336 F337 R338 R342H336-D340 PolarHBondContact O-N 3.03Å; F337-D340 PolarHBondContact O-N 3.29Å; R338-D340 VanDerWaalsContact C-N 3.33Å; R338-D340 PolarHBondContact O-N 2.94Å; D340-R342 WeakPolarHBondContact O-CG 3.33Å; D340-R342 PolarHBondContact O-N 3.1Å; D340-R342 VanDerWaalsContact O-N 3.12Å
341R66.5Low74.6Confident209 Ų20988.9 Ų88.979%0.78940%0.399SS*.THydrogen-bonded Turntrans-70.84.4167.7-64.3-175.7176.9-167-1.4113.9F337 R338 G339 T343F337-R341 PolarHBondContact O-N 3.22Å; R338-R341 WeakPolarHBondContact O-CB 3.35Å; R338-R341 PolarHBondContact O-N 3.39Å; R338-R341 VanDerWaalsContact O-N 3.15Å; G339-R341 VanDerWaalsContact C-N 3.28Å; G339-R341 PolarHBondContact O-N 3.3Å; R341-T343 PolarHBondContact O-N 3.07Å
342R65.2Low74.2Confident140 Ų14090 Ų9053%0.52841%0.405SS..THydrogen-bonded Turntrans62.320.9172.3-52.8172.6-174.1163.73.5115G339 D340G339-R342 PolarHBondContact O-N 3.07Å; D340-R342 WeakPolarHBondContact O-CG 3.33Å; D340-R342 PolarHBondContact O-N 3.1Å; D340-R342 VanDerWaalsContact O-N 3.12Å
343T70.2Confident73.7Confident73 Ų7390 Ų9045%0.44841%0.406SS..PPolyproline II helixtrans-72.2132.7169.3510000109.9R338 R341 I762 W766R338-T343 PolarHBondContact O-OG1 2.75Å; R341-T343 PolarHBondContact O-N 3.07Å; T343-I762 WeakPolarHBondContact O-CG2 3.47Å; T343-W766 PolarHBondContact O-NE1 3.41Å
344E72.4Confident73Confident158 Ų15890.9 Ų90.974%0.73841%0.408SS*.PPolyproline II helixtrans-62.7147.8175.4-60.9-171167.500111.5P346 I762E344-P346 WeakPolarHBondContact O-CD 3.34Å; E344-I762 HydrophobicContact CG-CD1 4.25Å
345V73.6Confident72.1Confident15 Ų1591.4 Ų91.49%0.09141%0.408CS..PPolyproline II helixtrans-66.3125.1179.4-175.40000109.3F347 L349 R350 E765 W766 V769V345-F347 PolarHBondContact O-N 2.91Å; V345-L349 HydrophobicContact CG1-CB 4.26Å; V345-L349 HydrophobicContact CG1-CD2 4.28Å; V345-L349 HydrophobicContact CG1-CG 4.23Å; V345-R350 HydrophobicContact CB-CB 4.39Å; V345-R350 HydrophobicContact CG1-CB 3.94Å; V345-R350 HydrophobicContact CG1-CG 4.46Å; V345-E765 HydrophobicContact CG2-CB 3.99Å; V345-W766 HydrophobicContact CB-CZ2 4.46Å; V345-W766 HydrophobicContact CG2-CD2 3.94Å; V345-W766 HydrophobicContact CG2-CG 4.03Å; V345-W766 HydrophobicContact CG2-CZ2 4.29Å; V345-V769 HydrophobicContact CG1-CG2 4.15Å
346P77.9Confident71.5Confident53 Ų5394 Ų9434%0.34442%0.419SS..PPolyproline II helixtrans-52.4134.1177-28.335.4000112.1E344 W348 L349 R350E344-P346 WeakPolarHBondContact O-CD 3.34Å; P346-W348 PolarHBondContact O-N 2.79Å; P346-W348 VanDerWaalsContact O-N 3.1Å; P346-L349 HydrophobicContact CB-CB 4.36Å; P346-L349 WeakPolarHBondContact O-CB 3.13Å; P346-L349 PolarHBondContact O-N 2.69Å; P346-R350 PolarHBondContact O-N 2.92Å
347F72.4Confident71.1Confident166 Ų16691.8 Ų91.873%0.72841%0.412SS*.Hα-helixtrans-54.9-37.1-170.6-176.2-97.3000113.6V345 K351V345-F347 PolarHBondContact O-N 2.91Å; F347-K351 WeakPolarHBondContact O-CB 3.46Å; F347-K351 PolarHBondContact O-N 3.3Å
348W80.3Confident70.5Confident175 Ų17587.1 Ų87.166%0.66340%0.395SS*.Hα-helixtrans-64-45.4175.669.8-95.8000112.2P346 K351 L352P346-W348 PolarHBondContact O-N 2.79Å; P346-W348 VanDerWaalsContact O-N 3.1Å; W348-K351 PolarHBondContact O-N 3.38Å; W348-L352 HydrophobicContact CZ3-CD2 4.44Å; W348-L352 WeakPolarHBondContact O-CB 3.38Å; W348-L352 PolarHBondContact O-N 3.43Å
349L74.3Confident70Confident10 Ų1089.2 Ų89.25%0.05240%0.403CS..Hα-helixtrans-68-39.3179.7-177.660000110.8V345 P346 L352 A353 W766 V769V345-L349 HydrophobicContact CG1-CB 4.26Å; V345-L349 HydrophobicContact CG1-CD2 4.28Å; V345-L349 HydrophobicContact CG1-CG 4.23Å; P346-L349 HydrophobicContact CB-CB 4.36Å; P346-L349 WeakPolarHBondContact O-CB 3.13Å; P346-L349 PolarHBondContact O-N 2.69Å; L349-L352 PolarHBondContact O-N 3.47Å; L349-A353 WeakPolarHBondContact O-CB 3.46Å; L349-A353 PolarHBondContact O-N 3.42Å; L349-W766 HydrophobicContact CD2-CH2 4.04Å; L349-W766 HydrophobicContact CD2-CZ3 3.78Å; L349-V769 HydrophobicContact CD1-CG1 4.09Å; L349-V769 HydrophobicContact CD2-CG1 4.04Å; L349-V769 HydrophobicContact CG-CG1 4Å
350R72.4Confident69.9Low100 Ų10095.1 Ų95.138%0.37743%0.433SS..Hα-helixtrans-60.7-44.6173.4-159.3176.4-169.4-127.91.4111.4V345 P346 L354 E765V345-R350 HydrophobicContact CB-CB 4.39Å; V345-R350 HydrophobicContact CG1-CB 3.94Å; V345-R350 HydrophobicContact CG1-CG 4.46Å; P346-R350 PolarHBondContact O-N 2.92Å; R350-L354 HydrophobicContact CG-CD1 3.82Å; R350-L354 VanDerWaalsContact O-CB 3.28Å; R350-L354 WeakPolarHBondContact O-CB 3.41Å; R350-L354 PolarHBondContact O-N 3.17Å; R350-E765 IonicContact CZ-OE1 3.19Å; R350-E765 IonicContact CZ-OE2 2.83Å; R350-E765 VanDerWaalsContact CZ-OE2 3.25Å; R350-E765 IonicContact NE-OE1 2.77Å; R350-E765 IonicContact NE-OE2 3.89Å; R350-E765 PolarHBondContact NE-OE2 2.93Å; R350-E765 VanDerWaalsContact NH2-CD 3.27Å; R350-E765 IonicContact NH2-OE1 2.76Å; R350-E765 PolarHBondContact NH2-OE1 3Å; R350-E765 IonicContact NH2-OE2 3.43Å; R350-E765 PolarHBondContact NH2-OE2 3.05Å
351K74.9Confident69.7Low124 Ų12491.1 Ų91.154%0.53941%0.412SS..Hα-helixtrans-69.2-34.2175.8-171.9179.7179.5-174.90112.6F347 W348 H355 H356F347-K351 WeakPolarHBondContact O-CB 3.46Å; F347-K351 PolarHBondContact O-N 3.3Å; W348-K351 PolarHBondContact O-N 3.38Å; K351-H355 VanDerWaalsContact O-CB 3.26Å; K351-H355 WeakPolarHBondContact O-CB 3.48Å; K351-H355 PolarHBondContact O-N 2.79Å; K351-H356 PolarHBondContact O-ND1 3.02Å
352L75.4Confident69.4Low94 Ų9488.7 Ų88.749%0.49241%0.413SS..Iπ-helixtrans-69.6-59.5176.8-172.563000110.6W348 L349 H356 G357W348-L352 HydrophobicContact CZ3-CD2 4.44Å; W348-L352 WeakPolarHBondContact O-CB 3.38Å; W348-L352 PolarHBondContact O-N 3.43Å; L349-L352 PolarHBondContact O-N 3.47Å; L352-H356 WeakPolarHBondContact O-CB 3.36Å; L352-H356 PolarHBondContact O-N 2.99Å; L352-H356 VanDerWaalsContact O-N 3.13Å; L352-G357 PolarHBondContact O-N 3.11Å
353A70.2Confident69.2Low3 Ų383.5 Ų83.53%0.02540%0.397CS..Iπ-helixtrans-68.7-49.5-174.800000113.2L349 G357 S358 V769 V772L349-A353 WeakPolarHBondContact O-CB 3.46Å; L349-A353 PolarHBondContact O-N 3.42Å; A353-G357 CarbonylContact O-C 3.56Å; A353-G357 VanDerWaalsContact O-CA 3.29Å; A353-G357 WeakPolarHBondContact O-CA 3.2Å; A353-G357 PolarHBondContact O-N 2.9Å; A353-S358 PolarHBondContact O-N 2.88Å; A353-V769 HydrophobicContact CB-CB 4.36Å; A353-V769 HydrophobicContact CB-CG1 4.34Å; A353-V769 HydrophobicContact CB-CG2 3.88Å; A353-V772 HydrophobicContact CB-CB 4.41Å; A353-V772 HydrophobicContact CB-CG1 3.92Å
354L67Low68.4Low50 Ų5088 Ų8826%0.26242%0.419SS..Iπ-helixtrans-84.7-20.7-171.6-56.3-177.7000114.3R350 S358 A768R350-L354 HydrophobicContact CG-CD1 3.82Å; R350-L354 VanDerWaalsContact O-CB 3.28Å; R350-L354 WeakPolarHBondContact O-CB 3.41Å; R350-L354 PolarHBondContact O-N 3.17Å; L354-S358 PolarHBondContact O-OG 2.81Å; L354-A768 HydrophobicContact CD2-CB 4.16Å
355H63.7Low67.7Low93 Ų9383.5 Ų83.543%0.43140%0.402SS..Iπ-helixtrans-106.6-29.8-179.7-165.3-76.1000113.9K351 R359K351-H355 VanDerWaalsContact O-CB 3.26Å; K351-H355 WeakPolarHBondContact O-CB 3.48Å; K351-H355 PolarHBondContact O-N 2.79Å; H355-R359 WeakPolarHBondContact O-CD 3.37Å
356H66.2Low66.5Low88 Ų8885.6 Ų85.641%0.40743%0.426SS..Iπ-helixtrans-104-52.2176.5-57.877.5000110.7K351 L352 S358 R359 I360K351-H356 PolarHBondContact O-ND1 3.02Å; L352-H356 WeakPolarHBondContact O-CB 3.36Å; L352-H356 PolarHBondContact O-N 2.99Å; L352-H356 VanDerWaalsContact O-N 3.13Å; H356-S358 PolarHBondContact O-N 3.31Å; H356-R359 PolarHBondContact O-N 2.92Å; H356-I360 HydrophobicContact CB-CD1 4.47Å; H356-I360 WeakPolarHBondContact O-CG1 3.26Å; H356-I360 PolarHBondContact O-N 2.67Å
357G66.2Low65.1Low12 Ų1288 Ų8812%0.12444%0.442CS..Iπ-helixtrans-57-48.9-179.500000113.8L352 A353 R359 I360 L361L352-G357 PolarHBondContact O-N 3.11Å; A353-G357 CarbonylContact O-C 3.56Å; A353-G357 VanDerWaalsContact O-CA 3.29Å; A353-G357 WeakPolarHBondContact O-CA 3.2Å; A353-G357 PolarHBondContact O-N 2.9Å; G357-R359 VanDerWaalsContact C-N 3.33Å; G357-R359 PolarHBondContact O-N 3Å; G357-I360 PolarHBondContact O-N 2.97Å; G357-L361 VanDerWaalsContact O-CB 3.27Å; G357-L361 WeakPolarHBondContact O-CB 3.25Å; G357-L361 WeakPolarHBondContact O-CG 3.32Å; G357-L361 PolarHBondContact O-N 3.46Å
358S63.5Low63.7Low27 Ų2784.2 Ų84.219%0.18943%0.434CS..Hα-helixtrans-56.8-41.8177.7640000113.6A353 L354 H356 L362 V363A353-S358 PolarHBondContact O-N 2.88Å; L354-S358 PolarHBondContact O-OG 2.81Å; H356-S358 PolarHBondContact O-N 3.31Å; S358-L362 PolarHBondContact O-N 2.95Å; S358-V363 PolarHBondContact O-N 3.11Å
359R62.7Low62.1Low180 Ų18079.7 Ų79.768%0.67944%0.441SS*.Hα-helixtrans-71.9-37.4-180-68.4-172.5179.4-163.21.6112.7H355 H356 G357H355-R359 WeakPolarHBondContact O-CD 3.37Å; H356-R359 PolarHBondContact O-N 2.92Å; G357-R359 VanDerWaalsContact C-N 3.33Å; G357-R359 PolarHBondContact O-N 3Å
360I65.1Low60.6Low125 Ų12581.5 Ų81.564%0.64146%0.463SS*.Hα-helixtrans-79-36.5-178.4-67.1167.5000111.3H356 G357H356-I360 HydrophobicContact CB-CD1 4.47Å; H356-I360 WeakPolarHBondContact O-CG1 3.26Å; H356-I360 PolarHBondContact O-N 2.67Å; G357-I360 PolarHBondContact O-N 2.97Å
361L63.4Low59.3Low19 Ų1982.4 Ų82.410%0.09948%0.482CS..THydrogen-bonded Turntrans-100.45.3-171.6-58.6170.1000114.1G357 V363 V772 R775 L776 I779G357-L361 VanDerWaalsContact O-CB 3.27Å; G357-L361 WeakPolarHBondContact O-CB 3.25Å; G357-L361 WeakPolarHBondContact O-CG 3.32Å; G357-L361 PolarHBondContact O-N 3.46Å; L361-V363 HydrophobicContact CB-CG2 3.95Å; L361-V363 PolarHBondContact O-N 3.07Å; L361-V363 VanDerWaalsContact O-N 3.13Å; L361-V772 HydrophobicContact CD1-CG1 4.1Å; L361-V772 WeakPolarHBondContact CD1-O 3.15Å; L361-R775 HydrophobicContact CD1-CB 3.99Å; L361-R775 HydrophobicContact CD2-CB 4.41Å; L361-L776 HydrophobicContact CD1-CB 4.44Å; L361-I779 HydrophobicContact CD2-CD1 3.44Å; L361-I779 VanDerWaalsContact CD2-CD1 3.44Å; L361-I779 HydrophobicContact CD2-CG1 4.5Å
362L60.3Low58.2Low157 Ų15782 Ų8282%0.82249%0.491SS*.THydrogen-bonded Turntrans51.632.1-178.5-68.1168.8000114.2S358 N364S358-L362 PolarHBondContact O-N 2.95Å; L362-N364 PolarHBondContact O-N 2.8Å
363V61.3Low57Low32 Ų3282.9 Ų82.919%0.19450%0.503CS..  trans-85.4105.5179.2-1760000109.4S358 L361 V365S358-V363 PolarHBondContact O-N 3.11Å; L361-V363 HydrophobicContact CB-CG2 3.95Å; L361-V363 PolarHBondContact O-N 3.07Å; L361-V363 VanDerWaalsContact O-N 3.13Å; V363-V365 VanDerWaalsContact C-N 3.25Å; V363-V365 HydrophobicContact CB-CG2 4.48Å; V363-V365 HydrophobicContact CG1-CG2 3.79Å; V363-V365 PolarHBondContact O-N 3.2Å
364N53Low55.9Low168 Ų16888.9 Ų88.990%0.89854%0.542SS*.  trans-68.279.2171.1-88.2-27.1000111.2L362 G366L362-N364 PolarHBondContact O-N 2.8Å; N364-G366 PolarHBondContact O-N 3.37Å
365V57.9Low55Low63 Ų6393.1 Ų93.138%0.38257%0.57SS.*  trans-73.778.3168.3-172.40000108.6V363 A768V363-V365 VanDerWaalsContact C-N 3.25Å; V363-V365 HydrophobicContact CB-CG2 4.48Å; V363-V365 HydrophobicContact CG1-CG2 3.79Å; V363-V365 PolarHBondContact O-N 3.2Å; V365-A768 HydrophobicContact CG1-CB 3.88Å; V365-A768 HydrophobicContact CG2-CB 4.25Å
366G47.8Very low54Low58 Ų5894.1 Ų94.160%0.59859%0.588SS**  trans-58.9128.4175.100000110.7N364 P368N364-G366 PolarHBondContact O-N 3.37Å; G366-P368 WeakPolarHBondContact O-CD 3.34Å
367P49.2Very low52.7Low103 Ų10394.5 Ų94.567%0.66961%0.606SS**  trans-69.7125-174.826.7-33.7000111G369 G370P367-G369 PolarHBondContact O-N 3.34Å; P367-G369 VanDerWaalsContact O-N 3.1Å; P367-G370 PolarHBondContact O-N 2.93Å
368P43.2Very low51.4Low87 Ų8799.7 Ų99.757%0.56564%0.64SS**THydrogen-bonded Turntrans-66.5113.8175.726.7-32.9000109.7G366G366-P368 WeakPolarHBondContact O-CD 3.34Å
369G47.4Very low50.1Low80 Ų80102.4 Ų102.483%0.82566%0.659SS**THydrogen-bonded Turntrans101.317.3177.600000116.5P367P367-G369 PolarHBondContact O-N 3.34Å; P367-G369 VanDerWaalsContact O-N 3.1Å
370G42.6Very low48.8Very low49 Ų4999.3 Ų99.351%0.50566%0.656SS.*PPolyproline II helixtrans-64.9134.116400000111.3P367P367-G370 PolarHBondContact O-N 2.93Å
371P45.1Very low47.4Very low118 Ų118102 Ų10277%0.76666%0.663SS**PPolyproline II helixtrans-66.4151.6174.829-34.6000110.8
372P50.3Low46Very low115 Ų115106.7 Ų106.775%0.74769%0.693SS**PPolyproline II helixtrans-61.1147.4176.826.9-34.6000111
373P50.8Low44.7Very low113 Ų113103.8 Ų103.873%0.73469%0.686SS**PPolyproline II helixtrans-61.2140.5178.526.7-34.4000110.3T375P373-T375 PolarHBondContact O-N 3.43Å
374P46.8Very low43.6Very low129 Ų129110.8 Ų110.884%0.83872%0.716SS**  trans-67.6109.5-175.726.8-33.9000110.6S376P374-S376 PolarHBondContact O-N 2.94Å; P374-S376 VanDerWaalsContact O-N 3.13Å
375T49.5Very low42.7Very low140 Ų140112.1 Ų112.186%0.85971%0.714SS**  trans-62.1112.4169.547.50000109.2P373P373-T375 PolarHBondContact O-N 3.43Å
376S41.2Very low41.6Very low114 Ų114114.6 Ų114.680%0.79773%0.731SS**  trans-72168.6174.453.40000111.7P374P374-S376 PolarHBondContact O-N 2.94Å; P374-S376 VanDerWaalsContact O-N 3.13Å
377A39.3Very low41.1Very low96 Ų96119.4 Ų119.479%0.79374%0.742SS**  trans7396.2170.300000118.8
378S38.4Very low40.2Very low120 Ų120120 Ų12084%0.83974%0.743SS**  102.2143.3108.5-155.20000120.8
379S37.2Very low39.8Very low85 Ų85123.4 Ų123.459%0.59476%0.757SS**  trans77.289.1144.8-173.20000121.1
380N36.3Very low39.1Very low115 Ų115126.9 Ų126.962%0.61575%0.754SS**  81.3117.9122-70.8-58.4000122.4
381K35.7Very low38.7Very low181 Ų181131.2 Ų131.279%0.78777%0.765SS**  66.7152123.9-61.4175.3-178.61750119.9
382T33.5Very low38.2Very low118 Ų118130.2 Ų130.272%0.72476%0.761SS**  cis-168.2144.8-23.5-82.60000106.2
383S33Very low37.3Very low96 Ų96131 Ų13167%0.67176%0.763SS**  trans64.5162.7177.7-92.80000115
384E37Very low36.5Very low178 Ų178133.6 Ų133.683%0.83277%0.765SS**  cis-134.6-1704.1-150.9115.5-103.500112.5
385K34.3Very low36Very low197 Ų197134.5 Ų134.586%0.85776%0.763SS**  trans-97.8160.9-167.6-84.8176.3176.5172.80115.1
386P34.8Very low35.1Very low115 Ų115137.7 Ų137.775%0.74777%0.766SS**  trans-98.4155.1-164.938-36.7000116.2
387I36.9Very low34.5Very low158 Ų158140.7 Ų140.781%0.8177%0.769SS**  trans-142.696.3169.4-62.9-177.8000106.5
388T32.1Very low34.2Very low115 Ų115145.9 Ų145.971%0.70677%0.774SS**  60.584.588.766.30000117
389N34.7Very low33.9Very low160 Ų160144.9 Ų144.986%0.85677%0.767SS**  trans-172.8116.9141.6-94.3-26.7000106
390M30.9Very low33.7Very low153 Ų153146.5 Ų146.575%0.75478%0.775SS**  cis82.4111.829-153.6-174.8179.500114.4
391N35.4Very low33.4Very low140 Ų140148.1 Ų148.175%0.74978%0.784SS**  trans69.1145.1-179.8-40-51.3000114.3
392S35.1Very low33.2Very low97 Ų97146.4 Ų146.468%0.67878%0.784SS**  cis-139.5126.2-3.2-164.70000107.5
393V30.4Very low33.1Very low130 Ų130151.3 Ų151.379%0.78880%0.795SS**  32.495.991.9-1740000112.8
394H35.1Very low33Very low169 Ų169154.4 Ų154.478%0.78280%0.803SS**  trans-150.4157.2149.7-139.8-88.7000110.5
395N35.9Very low32.6Very low147 Ų147151.7 Ų151.779%0.78680%0.803SS**  trans77.856.3179.3-54.8-4.8000116
396F29Very low32.5Very low208 Ų208145.9 Ų145.991%0.91280%0.798SS**  trans-58.9167.3143.5-125.7-109.7000111
397M30.6Very low32.4Very low176 Ų176147.4 Ų147.487%0.86780%0.8SS**  trans80.177149.2-160.7161.5165.600120.3
398K31.1Very low32.1Very low205 Ų205145 Ų14589%0.89180%0.798SS**  -137.3113.7127.1-99.2-179.6175.8-179.60106.4
399S32.2Very low32Very low100 Ų100149.5 Ų149.570%0.69981%0.808SS**  68.5116.990.9-169.40000111.8
400P33.1Very low31.8Very low119 Ų119146.5 Ų146.577%0.77379%0.792SS**  trans-81.1121.5-178.732.3-31.8000110.8
401D31.1Very low31.7Very low148 Ų148145.2 Ų145.279%0.79180%0.795SS**  trans-167.1167.6157-96.4-38000108
402N30.9Very low31.6Very low146 Ų146146.5 Ų146.578%0.78179%0.794SS**  trans66.986.4-180-53.8-36000116.4
403F30.6Very low31.3Very low220 Ų220150 Ų15097%0.96580%0.802SS**  trans-116.155.3143.2-137.1-85.4000109.9
404L31.7Very low31.3Very low161 Ų161153.3 Ų153.384%0.84381%0.806SS**  trans-126.471.4-177.7-111.3172.5000109.8
405C29.6Very low31.1Very low122 Ų122150.2 Ų150.282%0.82480%0.803SS**  trans-159.972166.5-96.70000109.3
406G32.1Very low31.1Very low74 Ų74148.5 Ų148.576%0.76380%0.797SS**SBendtrans-96131.4140.400000105.8
407D32.2Very low31.4Very low147 Ų147143.6 Ų143.679%0.78679%0.787SS**  trans-62152.6-158.5-72.3-70.5000115.5F409D407-F409 PolarHBondContact O-N 3.27Å
408S29.4Very low31.3Very low108 Ų108147.3 Ų147.376%0.75579%0.791SS**  trans-62.8102.4172.6-174.10000110N410S408-N410 PolarHBondContact O-N 3.25Å
409F31.9Very low31.4Very low209 Ų209142 Ų14292%0.91778%0.779SS**  trans-67.884.6161.3-113.8-83.6000108.5D407D407-F409 PolarHBondContact O-N 3.27Å
410N28.8Very low31.3Very low97 Ų97143.6 Ų143.652%0.51978%0.78SS.*  trans-54.1122.1-179.5-177.13.3000109.5S408 K412S408-N410 PolarHBondContact O-N 3.25Å; N410-K412 PolarHBondContact O-N 3.12Å
411P30.6Very low31.2Very low127 Ų127147.8 Ų147.883%0.82579%0.787SS**SBendtrans-75.542.6-177.932.6-37000112.5
412K31.4Very low31.2Very low167 Ų167146.4 Ų146.473%0.72678%0.784SS**  trans-146.446.3-177-69-174.5173.7175.80111.1N410N410-K412 PolarHBondContact O-N 3.12Å
413M30.5Very low31.2Very low171 Ų171146 Ų14684%0.84278%0.777SS**  trans-135.633.7173.1-137.8169-167.800114.5
414F29.8Very low31.3Very low199 Ų199142.7 Ų142.787%0.87376%0.763SS**  trans-125.641.5155.2-119.9-81.8000111.1V416F414-V416 VanDerWaalsContact C-N 3.26Å; F414-V416 HydrophobicContact CD1-CG2 4.18Å; F414-V416 PolarHBondContact O-N 3.04Å
415S30.4Very low31.3Very low103 Ų103145.3 Ų145.372%0.7277%0.768SS**  trans-72.381.7166.954.60000109.7
416V37.1Very low31.3Very low111 Ų111142.3 Ų142.367%0.67376%0.757SS**  trans-56.1136.3164.7179.80000108F414 R418F414-V416 VanDerWaalsContact C-N 3.26Å; F414-V416 HydrophobicContact CD1-CG2 4.18Å; F414-V416 PolarHBondContact O-N 3.04Å; V416-R418 PolarHBondContact O-N 3.49Å; V416-R418 VanDerWaalsContact O-N 3.07Å
417P34Very low31.3Very low106 Ų106146 Ų14669%0.68876%0.759SS**  trans-60.1115.5-176.4-2534.7000112.2S419P417-S419 VanDerWaalsContact C-N 3.25Å; P417-S419 PolarHBondContact O-N 3.37Å
418R28.1Very low31.4Very low254 Ų254146.7 Ų146.796%0.95876%0.763SS**  trans-86.675161.4-168.2175.7-172155.33.4107.9V416V416-R418 PolarHBondContact O-N 3.49Å; V416-R418 VanDerWaalsContact O-N 3.07Å
419S33.8Very low31.6Very low92 Ų92145.6 Ų145.664%0.64376%0.76SS**  trans-112.5133.8174.353.10000109.3P417P417-S419 VanDerWaalsContact C-N 3.25Å; P417-S419 PolarHBondContact O-N 3.37Å
420D30.8Very low31.6Very low135 Ų135145.1 Ų145.172%0.72276%0.758SS**  trans-63.8142.5-165.5-51.8-76.9000114.1
421F29.7Very low31.8Very low206 Ų206146.3 Ų146.390%0.90477%0.768SS**  trans-137.544.2157.4-130-83000111.5E423F421-E423 PolarHBondContact O-N 3.14Å
422T31.3Very low32Very low120 Ų120147.8 Ų147.874%0.73677%0.769SS**  trans-8894.4166.750.50000110.2
423E31.8Very low31.8Very low137 Ų137150.8 Ų150.864%0.6478%0.776SS**  trans-180152134.4-102.2-158.8136.200112.1F421F421-E423 PolarHBondContact O-N 3.14Å
424K31.6Very low32Very low151 Ų151152.8 Ų152.866%0.65778%0.78SS**  trans49.399.3152.7-64.5158.4-175.3148.90117.2
425F31.5Very low32.1Very low216 Ų216146.6 Ų146.695%0.94777%0.772SS**  -152.5115.995.1-100.6-71.8000110.7
426G30.6Very low32.2Very low58 Ų58151.4 Ų151.460%0.59878%0.78SS**  trans-93.7171.2162.900000110.8
427D33Very low32.1Very low152 Ų152152 Ų15281%0.81379%0.786SS**  trans53.5102.1163.4-55.2-33.7000118.4
428N33.3Very low32.3Very low162 Ų162156.4 Ų156.487%0.86680%0.798SS**  -176.3100.5124.7-92.2-56.1000107.9
429A34.3Very low32.6Very low84 Ų84147.5 Ų147.569%0.69478%0.784SS**  74.198.570.700000114.7
430K31.3Very low32.7Very low200 Ų200150.6 Ų150.687%0.8779%0.794SS**  trans65.6135.2147.6-77-178.9177.7176.10121.1
431V33.6Very low32.8Very low121 Ų121153 Ų15373%0.73380%0.798SS**  trans69.9111.5149.9177.70000117.7
432N33.9Very low32.9Very low159 Ų159153.1 Ų153.185%0.8580%0.798SS**  -155.4127116.8-100.8-40.1000111.5
433R28.3Very low32.9Very low229 Ų229153.2 Ų153.286%0.86480%0.802SS**  trans-95.6126.8161.9-74.6-179.2177.3174.5-1.6107.4
434F34.9Very low32.7Very low214 Ų214152 Ų15294%0.93981%0.809SS**  trans176.3131.6150.2-88.9-63.7000105.7
435G31.3Very low32.9Very low68 Ų68149.9 Ų149.970%0.70181%0.811SS**  cis130.4109.93.600000110.1
436K32.3Very low32.7Very low204 Ų204147 Ų14789%0.88780%0.801SS**  trans-158.7116.3171.4-113176.7-175.8179.40111
437P35.6Very low32.6Very low124 Ų124153.3 Ų153.381%0.80581%0.807SS**  trans-88.6157.1170.735.5-32.9000111.3
438H38.2Very low32.3Very low199 Ų199151.2 Ų151.292%0.92180%0.803SS**  trans-126.3134.7158.9-102.7-79.6000108.4
439G32.7Very low31.9Very low66 Ų66153.7 Ų153.768%0.6880%0.802SS**  trans-142.5140.9178.700000112.1
440N36.2Very low31.9Very low158 Ų158154.7 Ų154.785%0.84581%0.81SS**  trans-123.4110.4157.2-71.6-38.8000104.4
441K33Very low31.8Very low184 Ų184151.7 Ų151.780%0.880%0.804SS**  48.998.383.1-73.1-170.4172.6-175.30112.8
442F32.9Very low31.8Very low210 Ų210151.1 Ų151.192%0.92181%0.805SS**  -155.8173.1104.2-106.9-76.1000109.7
443C31.1Very low31.7Very low121 Ų121153.5 Ų153.582%0.81880%0.802SS**  trans-115.1156.1-160.7-49.70000113.9
444S28.4Very low32Very low111 Ų111150.2 Ų150.278%0.77680%0.797SS**  trans-69.8177.7155.7-37.70000110.9
445P34.9Very low31.9Very low108 Ų108143.2 Ų143.270%0.70178%0.778SS**  cis-138.3-179.22.543.8-26.5000116.4
446E27Very low32Very low156 Ų156148.1 Ų148.173%0.72978%0.783SS**  trans75.9153.5142.4-132.2165.4-148.400122.6
447Y28.9Very low32.1Very low189 Ų189147 Ų14774%0.74178%0.783SS**  trans76.1127.7164.4-72.6-71.1000124.3
448C26.2Very low31.9Very low108 Ų108151.8 Ų151.873%0.7379%0.785SS**  trans69.4108.5139.6-72.90000123.5
449Y26.2Very low31.8Very low215 Ų215147.1 Ų147.184%0.84378%0.775SS**  32.1114.1120.4-93.2-79.9000120.1
450A33.6Very low32Very low104 Ų104150.6 Ų150.686%0.8677%0.773SS**  trans-143.7145.5148.100000110.1
451N28.3Very low32Very low137 Ų137151.3 Ų151.373%0.73377%0.769SS**  trans-114.1137.5-171.6-80.4-69.5000114
452S34.1Very low32.2Very low109 Ų109147.1 Ų147.176%0.76276%0.761SS**  trans-144.4104.2149.151.70000107.6
453R32.1Very low32.2Very low209 Ų209143.9 Ų143.979%0.78976%0.758SS**  59.8127.782.2-66.4-179177.9-148.77.2111.8
454Q33.8Very low32.2Very low161 Ų161141.9 Ų141.975%0.75276%0.758SS**  cis-168.4160.38.9-109.9167.8-120.800108
455A32.9Very low32.5Very low66 Ų66142.4 Ų142.455%0.54576%0.762SS.*  cis-165.8176.2-4.600000111.5
456H34.2Very low32.5Very low172 Ų172142.2 Ų142.280%0.79676%0.76SS**  trans70.6147.9166.5-58.8-69000117.9
457M34.6Very low32.7Very low180 Ų180142 Ų14289%0.88776%0.764SS**  cis-136-1750.6-133.2170.1-16500112.4
458R30.9Very low33Very low224 Ų224141.1 Ų141.185%0.84577%0.767SS**  trans-155.4134-152177.1-164.7-171.6-171.35.7116.7
459S36.2Very low33Very low102 Ų102145.3 Ų145.371%0.71377%0.772SS**  trans-169.5120.4147.934.60000109.6
460Q36.4Very low33.3Very low139 Ų139143.6 Ų143.665%0.6577%0.769SS**  77.7139.585.6-73.1172.5-20.800113.9
461F37.3Very low33.1Very low173 Ų173144.1 Ų144.176%0.75976%0.764SS**  cis-154.5-177.27.5-109.9-34000111.6
462P35.4Very low33Very low96 Ų96141 Ų14162%0.62377%0.765SS**  trans-141.7179.5-138.445.7-25.8000120.5
463T33.1Very low32.7Very low142 Ų142141.9 Ų141.987%0.87177%0.769SS**  trans70.4138.3149.147.10000123.8
464G31.9Very low32.6Very low79 Ų79142.5 Ų142.581%0.81477%0.773SS**  trans112.3136.3164.300000113.2
465S34.2Very low32.5Very low122 Ų122144.7 Ų144.785%0.85378%0.776SS**  cis-155.2157.3-4.3-156.30000108.9
466P36.3Very low32.6Very low103 Ų103146 Ų14667%0.66978%0.779SS**  trans-93.9151.1-170.336.2-34.2000114.4
467N29.7Very low32.3Very low151 Ų151145.2 Ų145.281%0.80778%0.78SS**  trans152.4114139.7-83.4-41.8000111.3
468H34.7Very low32.3Very low172 Ų172143.3 Ų143.380%0.79677%0.774SS**  -162.3127.4128-116-79.4000110.3F470H468-F470 AromaticContact ND1-CE2 3.57Å
469K27.3Very low32.2Very low196 Ų196139.8 Ų139.885%0.85277%0.767SS**  trans-89.4132.9165.9-73.7177174.21780108.4
470F31.4Very low31.9Very low178 Ų178139.1 Ų139.178%0.78177%0.767SS**  trans-136.9154150.8-87.1-75000109.2H468H468-F470 AromaticContact ND1-CE2 3.57Å
471P30.2Very low31.7Very low116 Ų116141.7 Ų141.775%0.75378%0.779SS**PPolyproline II helixtrans-82.5161.9-161.633.7-36.2000113.1
472G25.6Very low31.4Very low72 Ų72142.6 Ų142.674%0.74279%0.789SS**PPolyproline II helixtrans-71.9143.1178.700000113.3
473C29.4Very low31.2Very low127 Ų127145 Ų14586%0.85879%0.789SS**PPolyproline II helixtrans-71.7128.8167-63.10000109.9Y475C473-Y475 PolarHBondContact O-N 3.49Å
474Y28.8Very low31.1Very low222 Ų222146.3 Ų146.387%0.87179%0.785SS**PPolyproline II helixtrans-60.8130.1165.1-93.2-117.6000109.5
475Y32.9Very low31Very low207 Ų207153.1 Ų153.181%0.81279%0.793SS**PPolyproline II helixtrans-77.6132.5144-96.2-96.1000107.5C473 D477C473-Y475 PolarHBondContact O-N 3.49Å; Y475-D477 PolarHBondContact O-N 2.75Å
476P34.2Very low30.7Very low92 Ų92151.8 Ų151.860%0.59778%0.783SS**  trans-75.9114.2168.529.8-30.7000109.4N478P476-N478 PolarHBondContact O-N 2.82Å
477D28.8Very low30.4Very low156 Ų156155.7 Ų155.783%0.83479%0.793SS**  trans-69.370.7172.9-73.8-45.5000111.4Y475 E479Y475-D477 PolarHBondContact O-N 2.75Å; D477-E479 PolarHBondContact O-N 3.33Å
478N33Very low30.4Very low140 Ų140157.9 Ų157.975%0.74980%0.795SS**  trans-78.165.6171.1-79-7.8000110.2P476 A480P476-N478 PolarHBondContact O-N 2.82Å; N478-A480 PolarHBondContact O-N 3.02Å
479E29.3Very low30.3Very low151 Ų151153.6 Ų153.671%0.70679%0.785SS**THydrogen-bonded Turntrans-73.240.3179.8-135.6-141.313300113D477 K483D477-E479 PolarHBondContact O-N 3.33Å; E479-K483 IonicContact OE1-NZ 1.79Å; E479-K483 PolarHBondContact OE1-NZ 3.05Å
480A30.1Very low30.3Very low87 Ų87156.7 Ų156.772%0.71979%0.791SS**THydrogen-bonded Turntrans-131.91.6-15600000117N478N478-A480 PolarHBondContact O-N 3.02Å
481E31.2Very low30.3Very low193 Ų193158.3 Ų158.390%0.90279%0.792SS**SBendtrans-147.528.8174.4-134.2162.3-146.100117.3
482M31.8Very low30.3Very low193 Ų193160.6 Ų160.695%0.95179%0.793SS**SBendtrans-126.440.5169.4-110.4-173.6-178.200114
483K30.8Very low30.6Very low146 Ų146163.6 Ų163.664%0.63580%0.797SS**  trans-12442.8176.2-73.6171.5-175154.90112.9E479E479-K483 IonicContact OE1-NZ 1.79Å; E479-K483 PolarHBondContact OE1-NZ 3.05Å
484H31Very low30.6Very low170 Ų170165.2 Ų165.279%0.78779%0.791SS**  trans-137.518.2175.7-118.3-74.6000116.3
485F30.2Very low30.9Very low221 Ų221163.4 Ų163.497%0.96979%0.791SS**SBendtrans-117.841.7170.3-113.1-86.8000113.5
486S28.8Very low30.7Very low94 Ų94158.9 Ų158.966%0.65779%0.785SS**SBendtrans-142.2152156.7710000109.2
487Q29.3Very low30.6Very low185 Ų185163.8 Ų163.886%0.86480%0.8SS**  trans64.862.9-174.9-50.7-172.828.800116
488F30.2Very low30.4Very low197 Ų197165 Ų16586%0.86480%0.801SS**  trans-122.2150.3141.2-116.6-96000110.5
489S31.6Very low30.4Very low82 Ų82162.7 Ų162.757%0.57380%0.802SS**  trans-8.8132.3175.3-64.30000117.9
490R27.4Very low30.4Very low261 Ų261160.9 Ų160.999%0.98580%0.801SS**  cis45.3449.2-91.9-155.3-175.8-160.63.7116.5
491R31.4Very low30.4Very low213 Ų213162.6 Ų162.680%0.80480%0.804SS**  trans-155.3148.5154.9-114.5167.9-171.4-176.81.2110.4
492Q30.5Very low30.4Very low164 Ų164159.1 Ų159.177%0.76680%0.8SS**  trans-64.5134.2-169-59.2131.1-80.600112.3
493T31.3Very low30.6Very low135 Ų135154.1 Ų154.183%0.82878%0.784SS**  trans-106.6141.5132.638.20000107.6
494Q29.3Very low30.8Very low160 Ų160156.3 Ų156.375%0.74879%0.794SS**  trans-134.475.6-171.3-178.2-174.8-2400107.7
495E35Very low30.9Very low184 Ų184151.7 Ų151.786%0.8678%0.78SS**  trans-98.9139.5176.6-67-175.3136.400109.9
496T28.9Very low31.4Very low113 Ų113146.7 Ų146.769%0.69377%0.77SS**  trans-112.799.2-161.752.60000112.5
497E32.3Very low32Very low194 Ų194145.5 Ų145.591%0.90777%0.766SS**  trans-88127.3153.6-73.8-160.4110.400110.2A499E497-A499 VanDerWaalsContact C-N 3.33Å; E497-A499 PolarHBondContact O-N 2.9Å
498Q26.2Very low32.4Very low181 Ų181140.5 Ų140.585%0.84675%0.75SS**  trans-87.363.9-171.3-68-175.2-12.200112.9T500Q498-T500 PolarHBondContact O-N 3.43Å
499A31.1Very low33.1Very low93 Ų93133.2 Ų133.277%0.76973%0.727SS**  trans-82.994164.600000110E497E497-A499 VanDerWaalsContact C-N 3.33Å; E497-A499 PolarHBondContact O-N 2.9Å
500T30.3Very low33.4Very low112 Ų112130.7 Ų130.769%0.68771%0.713SS**  trans-61.1127.2-177.550.50000112.2Q498 C502Q498-T500 PolarHBondContact O-N 3.43Å; T500-C502 PolarHBondContact O-N 3.2Å
501P30.7Very low33.9Very low123 Ų123124.5 Ų124.580%0.79970%0.699SS**  trans-72.896.4176.329.1-33.8000110.4S503P501-S503 VanDerWaalsContact C-N 3.28Å; P501-S503 PolarHBondContact O-N 3.22Å
502C31.1Very low34.2Very low120 Ų120117.3 Ų117.381%0.81169%0.685SS**  trans-68.883.6175-75.90000111.6T500T500-C502 PolarHBondContact O-N 3.2Å
503S34.7Very low34.7Very low89 Ų89112 Ų11262%0.62267%0.669SS**  trans-58.3154.5164.356.10000112.6P501P501-S503 VanDerWaalsContact C-N 3.28Å; P501-S503 PolarHBondContact O-N 3.22Å
504F36Very low34.9Very low191 Ų191108.5 Ų108.584%0.83865%0.654SS**  trans95.9135.5165.8-70.4-85.4000120.5
505C31.7Very low35.3Very low74 Ų74103.7 Ų103.750%0.564%0.642SS.*  trans76.9108.9156.4-146.50000119.3A507 C508C505-A507 PolarHBondContact O-N 3.48Å; C505-C508 PolarHBondContact O-N 3.42Å; C505-C508 VanDerWaalsContact O-N 3.14Å
506P41.3Very low35.6Very low115 Ų11598.9 Ų98.975%0.74763%0.634SS**THydrogen-bonded Turntrans-56.4-19.1167.9-26.936.2000115.4C508P506-C508 VanDerWaalsContact C-N 3.26Å; P506-C508 PolarHBondContact O-N 2.86Å
507A42.1Very low36.1Very low70 Ų7098 Ų9858%0.57964%0.638SS**Hα-helixtrans-66.5-25176.600000113.3C505C505-A507 PolarHBondContact O-N 3.48Å
508C37.9Very low36.2Very low79 Ų7993.2 Ų93.253%0.53463%0.626SS.*Hα-helixtrans-79.5-27.1-176.7-62.80000113.2C505 P506 G510 L511 A512C505-C508 PolarHBondContact O-N 3.42Å; C505-C508 VanDerWaalsContact O-N 3.14Å; P506-C508 VanDerWaalsContact C-N 3.26Å; P506-C508 PolarHBondContact O-N 2.86Å; C508-G510 PolarHBondContact O-N 3.03Å; C508-L511 PolarHBondContact O-N 3.34Å; C508-A512 PolarHBondContact O-N 3Å
509A44.3Very low36.4Very low45 Ų4587.4 Ų87.437%0.37261%0.614SS.*Hα-helixtrans-64-37.2-178.900000112.9L511 A512 A513A509-L511 VanDerWaalsContact C-N 3.31Å; A509-L511 PolarHBondContact O-N 3.25Å; A509-A512 PolarHBondContact O-N 2.98Å; A509-A513 PolarHBondContact O-N 2.81Å
510G37.3Very low36.6Very low28 Ų2894.8 Ų94.829%0.28962%0.622SS.*Hα-helixtrans-66-30.1177.900000114.1C508C508-G510 PolarHBondContact O-N 3.03Å
511L38.7Very low36.8Very low132 Ų13292.9 Ų92.969%0.69163%0.625SS**Hα-helixtrans-78.9-35175.9-86.6154.2000112.3C508 A509 A514 A515C508-L511 PolarHBondContact O-N 3.34Å; A509-L511 VanDerWaalsContact C-N 3.31Å; A509-L511 PolarHBondContact O-N 3.25Å; L511-A514 PolarHBondContact O-N 3.1Å; L511-A515 PolarHBondContact O-N 2.84Å
512A38.1Very low36.9Very low61 Ų6192.1 Ų92.150%0.50462%0.622SS.*Hα-helixtrans-63-41174.100000112C508 A509 A514 A515 A516C508-A512 PolarHBondContact O-N 3Å; A509-A512 PolarHBondContact O-N 2.98Å; A512-A514 PolarHBondContact O-N 3.47Å; A512-A515 PolarHBondContact O-N 3.21Å; A512-A516 WeakPolarHBondContact O-CB 3.2Å; A512-A516 PolarHBondContact O-N 3.39Å
513A40.5Very low37.1Very low52 Ų5294.3 Ų94.343%0.4363%0.626SS.*Hα-helixtrans-62.3-40.7176.200000112.8A509 A516 A517A509-A513 PolarHBondContact O-N 2.81Å; A513-A516 PolarHBondContact O-N 2.83Å; A513-A517 PolarHBondContact O-N 2.82Å
514A35.6Very low37.1Very low63 Ų6396.8 Ų96.852%0.52163%0.632SS.*Hα-helixtrans-68.4-33.7175.400000113L511 A512 S518L511-A514 PolarHBondContact O-N 3.1Å; A512-A514 PolarHBondContact O-N 3.47Å; A514-S518 PolarHBondContact O-OG 2.9Å
515A37.1Very low37Very low59 Ų5994.7 Ų94.749%0.48863%0.628SS.*Hα-helixtrans-72.5-37.9175.100000112.6L511 A512 A517 S518L511-A515 PolarHBondContact O-N 2.84Å; A512-A515 PolarHBondContact O-N 3.21Å; A515-A517 VanDerWaalsContact C-N 3.3Å; A515-A517 PolarHBondContact O-N 3.5Å; A515-S518 CarbonylContact O-C 3.53Å; A515-S518 PolarHBondContact O-N 2.92Å; A515-S518 PolarHBondContact O-OG 3.39Å
516A41.1Very low37Very low83 Ų8398.2 Ų98.269%0.68664%0.642SS**Hα-helixtrans-61.3-38.8177.800000112.1A512 A513 S518A512-A516 WeakPolarHBondContact O-CB 3.2Å; A512-A516 PolarHBondContact O-N 3.39Å; A513-A516 PolarHBondContact O-N 2.83Å; A516-S518 PolarHBondContact O-N 2.79Å
517A39.3Very low36.6Very low94 Ų9497.8 Ų97.878%0.77764%0.639SS**THydrogen-bonded Turntrans-70.1-2.3173.900000114.5A513 A515A513-A517 PolarHBondContact O-N 2.82Å; A515-A517 VanDerWaalsContact C-N 3.3Å; A515-A517 PolarHBondContact O-N 3.5Å
518S35.2Very low36Very low93 Ų9399.4 Ų99.465%0.6565%0.646SS**THydrogen-bonded Turntrans-126.926.1-17848.10000114.7A514 A515 A516A514-S518 PolarHBondContact O-OG 2.9Å; A515-S518 CarbonylContact O-C 3.53Å; A515-S518 PolarHBondContact O-N 2.92Å; A515-S518 PolarHBondContact O-OG 3.39Å; A516-S518 PolarHBondContact O-N 2.79Å
519G31.3Very low35.7Very low59 Ų59105.6 Ų105.661%0.60866%0.66SS**  trans96.7134146.600000117.5
520R34.6Very low35.1Very low249 Ų249111.7 Ų111.794%0.9468%0.68SS**  trans-157.8100.2154.5-111.1169.2-173.6-176.6-0.4110.2
521G34.1Very low34.8Very low71 Ų71114.7 Ų114.773%0.73270%0.702SS**  trans-71.2163.4150.100000109.7
522S32.8Very low34.3Very low107 Ų107116.2 Ų116.275%0.74871%0.706SS**  trans-56.6155.5-177.2-47.30000113.8
523N35.9Very low34.1Very low167 Ų167122.8 Ų122.889%0.89373%0.726SS**  trans-161.7113.7142.1-94.9-31.5000108.4
524D35Very low33.5Very low141 Ų141127.7 Ų127.775%0.75474%0.74SS**  trans-76.6130.4165.6-66.3-68.4000109.9
525I34.3Very low33.2Very low146 Ų146135.9 Ų135.975%0.74976%0.759SS**  trans16.3109.1133.4-55.8170.5000113.5
526D31.1Very low32.7Very low149 Ų149137.3 Ų137.380%0.79777%0.766SS**  -162.8172.777.9-118.3-14.6000113.3
527P33.3Very low32.2Very low106 Ų106140 Ų14069%0.68877%0.766SS**  trans-108.4165.3-160.540.8-38.9000116.8
528S29.7Very low31.7Very low103 Ų103142.3 Ų142.372%0.7276%0.761SS**  173.1173.1128.1500000114.1
529Y30.9Very low31.4Very low209 Ų209143.9 Ų143.982%0.8277%0.766SS**  trans66.587.3165-75.6-77.9000121.8
530H30.9Very low31.3Very low173 Ų173148 Ų14880%0.80178%0.78SS**  18.4119.7120.9-75.3-99.8000120.6
531A31.8Very low31.2Very low91 Ų91141.8 Ų141.875%0.75277%0.772SS**  -164.9103.5124.400000108.3
532E28.8Very low31Very low165 Ų165147.5 Ų147.577%0.77178%0.776SS**  50.498.895.3-72.8-165.596.400115.9
533Q32.8Very low30.8Very low198 Ų198149.5 Ų149.593%0.92578%0.779SS**  -154.9127.3105.9-107.1172.817.400111.2
534Q27Very low30.6Very low155 Ų155149.1 Ų149.172%0.72477%0.771SS**  trans-80.3154.8173.3-59.8147.8-48.900109.5
535Y30.5Very low30.6Very low236 Ų236151.1 Ų151.193%0.92577%0.773SS**  -154.4119.3114.2-108.9-71000111
536S27.5Very low30.7Very low88 Ų88150 Ų15062%0.61578%0.776SS**  trans-97.8-175.8176.257.90000109.5
537M29.3Very low31.1Very low141 Ų141149.1 Ų149.170%0.69577%0.766SS**  cis-165.1174.211.4-146.5159.3-175.800110.5
538Q29.4Very low31.3Very low142 Ų142148.8 Ų148.866%0.66476%0.759SS**  trans54.5120.9154-75.5135.3-4.400118.8
539T29.4Very low32Very low125 Ų125148.3 Ų148.377%0.76775%0.754SS**  cis67.4125.339.185.10000116.6
540T28.7Very low32.6Very low145 Ų145142.1 Ų142.189%0.8974%0.737SS**  trans-152.7149.7143.318.50000108.6
541P31.1Very low33.1Very low119 Ų119138.7 Ų138.777%0.77373%0.725SS**  trans-110.9157.3-154.839.6-33.6000115.3
542K30.7Very low33.7Very low192 Ų192140 Ų14084%0.83572%0.72SS**  trans-141.6132.8153-73.2-171.6178.31760110.4
543N27.7Very low34.6Very low148 Ų148137.5 Ų137.579%0.79171%0.711SS**  trans32.1115.3157.6-53.31.1000118.1
544H33.3Very low35.2Very low160 Ų160130.7 Ų130.774%0.74169%0.689SS**  trans-130.6138.6154.5-115.858.1000112H547H544-H547 AromaticContact CD2-CD2 3.78Å; H544-H547 AromaticContact NE2-NE2 3.85Å
545F34.9Very low36.1Very low182 Ų182126 Ų12680%0.79868%0.676SS**PPolyproline II helixtrans-76.7164.1166.6-83.3-103.5000109.1H547F545-H547 PolarHBondContact O-N 3.48Å
546P35.9Very low37Very low123 Ų123119.4 Ų119.480%0.79966%0.66SS**PPolyproline II helixtrans-58.5125.4175.524.6-34.6000110.6
547H40.2Very low37.9Very low130 Ų130122.2 Ų122.260%0.60266%0.658SS**PPolyproline II helixtrans-70.7138171.1-114.9-79.1000109.8H544 F545H544-H547 AromaticContact CD2-CD2 3.78Å; H544-H547 AromaticContact NE2-NE2 3.85Å; F545-H547 PolarHBondContact O-N 3.48Å
548D37.6Very low38.8Very low99 Ų99118 Ų11853%0.52965%0.645SS.*PPolyproline II helixtrans-84.1128.5174.9-169.757.9000109.4T550 D551D548-T550 PolarHBondContact O-N 3.06Å; D548-T550 WeakPolarHBondContact OD2-CB 3.43Å; D548-T550 PolarHBondContact OD2-OG1 2.81Å; D548-D551 PolarHBondContact O-N 3.17Å
549P44.8Very low39.7Very low94 Ų94113.7 Ų113.761%0.6163%0.634SS**THydrogen-bonded Turntrans-68.20.6-173.927.7-36.1000114.5
550T42.1Very low40.5Very low78 Ų78110.9 Ų110.948%0.47962%0.623SS.*Hα-helixtrans-70-33.4177-47.30000112.5D548 A554D548-T550 PolarHBondContact O-N 3.06Å; D548-T550 WeakPolarHBondContact OD2-CB 3.43Å; D548-T550 PolarHBondContact OD2-OG1 2.81Å; T550-A554 WeakPolarHBondContact O-CB 3.15Å; T550-A554 PolarHBondContact O-N 2.82Å
551D42Very low41.4Very low101 Ų101108.4 Ų108.454%0.5460%0.604SS.*Hα-helixtrans-70.8-40.5-176-80.4-22.9000112.8D548 L553 A554 A555D548-D551 PolarHBondContact O-N 3.17Å; D551-L553 VanDerWaalsContact C-N 3.35Å; D551-L553 PolarHBondContact O-N 3.22Å; D551-A554 PolarHBondContact O-N 3.49Å; D551-A555 WeakPolarHBondContact O-CB 3.3Å; D551-A555 PolarHBondContact O-N 2.93Å
552D44.6Very low42Very low120 Ų120107.8 Ų107.864%0.64259%0.594SS**Hα-helixtrans-65.3-39.7177.7-74.2-38.1000111.4A555 V556D552-A555 PolarHBondContact O-N 3.38Å; D552-V556 WeakPolarHBondContact O-CG2 3.43Å; D552-V556 PolarHBondContact O-N 3.02Å
553L47.5Very low42.6Very low111 Ų111104.1 Ų104.158%0.58158%0.583SS**Hα-helixtrans-62.8-43.6172.1-92.4161.3000111.5D551 A555 V556 W557D551-L553 VanDerWaalsContact C-N 3.35Å; D551-L553 PolarHBondContact O-N 3.22Å; L553-A555 VanDerWaalsContact C-N 3.32Å; L553-A555 PolarHBondContact O-N 2.7Å; L553-V556 PolarHBondContact O-N 3.43Å; L553-W557 VanDerWaalsContact O-CD1 3.3Å; L553-W557 PolarHBondContact O-N 3.26Å
554A46.4Very low43.4Very low56 Ų5699.9 Ų99.946%0.46357%0.565SS.*Hα-helixtrans-62.4-38.6175.500000112.1T550 D551 A558T550-A554 WeakPolarHBondContact O-CB 3.15Å; T550-A554 PolarHBondContact O-N 2.82Å; D551-A554 PolarHBondContact O-N 3.49Å; A554-A558 VanDerWaalsContact O-CB 3.24Å; A554-A558 WeakPolarHBondContact O-CB 3.41Å; A554-A558 PolarHBondContact O-N 2.93Å
555A44.6Very low43.7Very low56 Ų5696.3 Ų96.346%0.46355%0.552SS.*Hα-helixtrans-65.6-43.3176.200000112.7D551 D552 L553 A558 A559D551-A555 WeakPolarHBondContact O-CB 3.3Å; D551-A555 PolarHBondContact O-N 2.93Å; D552-A555 PolarHBondContact O-N 3.38Å; L553-A555 VanDerWaalsContact C-N 3.32Å; L553-A555 PolarHBondContact O-N 2.7Å; A555-A558 PolarHBondContact O-N 2.86Å; A555-A559 WeakPolarHBondContact O-CB 3.47Å; A555-A559 PolarHBondContact O-N 3.03Å
556V50Low44.1Very low97 Ų9792.6 Ų92.659%0.58854%0.539SS*.Hα-helixtrans-62.1-45.4176170.10000111.4D552 L553 A559 A560D552-V556 WeakPolarHBondContact O-CG2 3.43Å; D552-V556 PolarHBondContact O-N 3.02Å; L553-V556 PolarHBondContact O-N 3.43Å; V556-A559 PolarHBondContact O-N 2.86Å; V556-A560 PolarHBondContact O-N 3.43Å; V556-A560 VanDerWaalsContact O-N 3.1Å
557W46.6Very low44.1Very low148 Ų14890.4 Ų90.456%0.56153%0.526SS*.Hα-helixtrans-66.2-38.5176.1-83.380.8000112.5M284 L553 A559 A560 I561M284-W557 HydrophobicContact CE-CH2 4.42Å; M284-W557 HydrophobicContact CE-CZ2 3.73Å; L553-W557 VanDerWaalsContact O-CD1 3.3Å; L553-W557 PolarHBondContact O-N 3.26Å; W557-A559 PolarHBondContact O-N 3.16Å; W557-A560 PolarHBondContact O-N 2.82Å; W557-I561 HydrophobicContact CE3-CD1 4.46Å; W557-I561 WeakPolarHBondContact O-CB 3.43Å; W557-I561 VanDerWaalsContact O-CG1 3.28Å; W557-I561 WeakPolarHBondContact O-CG1 3.48Å; W557-I561 PolarHBondContact O-N 2.03Å
558A48.7Very low44.1Very low52 Ų5289.1 Ų89.143%0.4352%0.523SS..Hα-helixtrans-65.7-35.5176.200000112.9A554 A555 N562A554-A558 VanDerWaalsContact O-CB 3.24Å; A554-A558 WeakPolarHBondContact O-CB 3.41Å; A554-A558 PolarHBondContact O-N 2.93Å; A555-A558 PolarHBondContact O-N 2.86Å; A558-N562 WeakPolarHBondContact O-CB 3.44Å; A558-N562 PolarHBondContact O-N 2.89Å; A558-N562 VanDerWaalsContact O-N 3.12Å; A558-N562 PolarHBondContact O-ND2 3.32Å
559A47.7Very low44.2Very low52 Ų5292.1 Ų92.143%0.4353%0.532SS..Hα-helixtrans-64.6-53.3173.200000111.3A555 V556 W557 I561 N562 D563A555-A559 WeakPolarHBondContact O-CB 3.47Å; A555-A559 PolarHBondContact O-N 3.03Å; V556-A559 PolarHBondContact O-N 2.86Å; W557-A559 PolarHBondContact O-N 3.16Å; A559-I561 VanDerWaalsContact C-N 3.29Å; A559-I561 PolarHBondContact O-N 2.86Å; A559-N562 PolarHBondContact O-N 2.75Å; A559-N562 VanDerWaalsContact O-N 3.07Å; A559-D563 PolarHBondContact O-N 2.94Å; A559-D563 VanDerWaalsContact O-N 3.11Å
560A44.9Very low43.9Very low66 Ų6697 Ų9755%0.54554%0.538SS..Hα-helixtrans-57.3-39.5179.600000113V556 W557V556-A560 PolarHBondContact O-N 3.43Å; V556-A560 VanDerWaalsContact O-N 3.1Å; W557-A560 PolarHBondContact O-N 2.82Å
561I48.7Very low43.9Very low93 Ų9398.7 Ų98.748%0.47754%0.543SS..Hα-helixtrans-70.7-36.9177.4-68.4168.2000111.6W557 A559 S564 N565W557-I561 HydrophobicContact CE3-CD1 4.46Å; W557-I561 WeakPolarHBondContact O-CB 3.43Å; W557-I561 VanDerWaalsContact O-CG1 3.28Å; W557-I561 WeakPolarHBondContact O-CG1 3.48Å; W557-I561 PolarHBondContact O-N 2.03Å; A559-I561 VanDerWaalsContact C-N 3.29Å; A559-I561 PolarHBondContact O-N 2.86Å; I561-S564 PolarHBondContact O-OG 2.9Å; I561-N565 PolarHBondContact O-ND2 3Å
562N44.5Very low43.8Very low106 Ų10698.1 Ų98.157%0.56755%0.547SS*.Hα-helixtrans-70-39.8179.4-88.6-31000113.4A558 A559 S564 N565 I566A558-N562 WeakPolarHBondContact O-CB 3.44Å; A558-N562 PolarHBondContact O-N 2.89Å; A558-N562 VanDerWaalsContact O-N 3.12Å; A558-N562 PolarHBondContact O-ND2 3.32Å; A559-N562 PolarHBondContact O-N 2.75Å; A559-N562 VanDerWaalsContact O-N 3.07Å; N562-S564 VanDerWaalsContact C-N 3.31Å; N562-S564 PolarHBondContact O-N 2.98Å; N562-N565 PolarHBondContact O-N 2.74Å; N562-I566 PolarHBondContact O-N 2.69Å
563D42.7Very low43.6Very low114 Ų11496 Ų9661%0.6154%0.542SS*.Hα-helixtrans-63.1-36.6-180-78.7-28.5000112.2A559 N565 I566 C567A559-D563 PolarHBondContact O-N 2.94Å; A559-D563 VanDerWaalsContact O-N 3.11Å; D563-N565 VanDerWaalsContact C-N 3.27Å; D563-N565 PolarHBondContact O-N 3Å; D563-I566 PolarHBondContact O-N 3.45Å; D563-C567 PolarHBondContact O-N 3.08Å
564S43.3Very low43.2Very low60 Ų60100.4 Ų100.442%0.4255%0.551SS.*Hα-helixtrans-60.5-34.6173.372.70000113.3I561 N562 C567 N568I561-S564 PolarHBondContact O-OG 2.9Å; N562-S564 VanDerWaalsContact C-N 3.31Å; N562-S564 PolarHBondContact O-N 2.98Å; S564-C567 PolarHBondContact O-N 2.98Å; S564-N568 PolarHBondContact O-N 2.84Å
565N40.9Very low42.8Very low85 Ų85101.4 Ų101.446%0.45556%0.559SS.*Hα-helixtrans-78.5-23.1-179.1-79.5-77.3000113.4I561 N562 D563I561-N565 PolarHBondContact O-ND2 3Å; N562-N565 PolarHBondContact O-N 2.74Å; D563-N565 VanDerWaalsContact C-N 3.27Å; D563-N565 PolarHBondContact O-N 3Å
566I42.7Very low42.3Very low103 Ų103105.7 Ų105.753%0.52857%0.573SS.*Hα-helixtrans-75.4-34.5172.9-67172.1000110.6N562 D563N562-I566 PolarHBondContact O-N 2.69Å; D563-I566 PolarHBondContact O-N 3.45Å
567C35.4Very low41.9Very low77 Ų77107.7 Ų107.752%0.5258%0.58SS.*Hα-helixtrans-66.7-50.7177.4-154.90000112D563 S564 K569 R570 L571D563-C567 PolarHBondContact O-N 3.08Å; S564-C567 PolarHBondContact O-N 2.98Å; C567-K569 VanDerWaalsContact C-N 3.28Å; C567-K569 PolarHBondContact O-N 2.84Å; C567-R570 PolarHBondContact O-N 3.08Å; C567-L571 PolarHBondContact O-N 3.14Å
568N41.6Very low41.5Very low103 Ų103108.8 Ų108.855%0.55159%0.591SS**Hα-helixtrans-59.5-32.9-177.9-77-26.8000114S564 R570 L571 S572S564-N568 PolarHBondContact O-N 2.84Å; N568-R570 VanDerWaalsContact C-N 3.31Å; N568-R570 PolarHBondContact O-N 2.83Å; N568-L571 PolarHBondContact O-N 2.95Å; N568-S572 PolarHBondContact O-N 2.92Å
569K39.4Very low40.7Very low163 Ų163113.5 Ų113.571%0.70961%0.609SS**Hα-helixtrans-73-17.1176.7-76.4-176175.8177.60114.5C567 S573C567-K569 VanDerWaalsContact C-N 3.28Å; C567-K569 PolarHBondContact O-N 2.84Å; K569-S573 PolarHBondContact O-OG 2.91Å
570R37.9Very low40.1Very low197 Ų197118.4 Ų118.474%0.74363%0.628SS**Hα-helixtrans-91.9-22.2173.4-78.9-176.4168.4173.5-2113.6C567 N568 S573C567-R570 PolarHBondContact O-N 3.08Å; N568-R570 VanDerWaalsContact C-N 3.31Å; N568-R570 PolarHBondContact O-N 2.83Å; R570-S573 PolarHBondContact O-OG 2.85Å
571L41.3Very low39.6Very low113 Ų113125.4 Ų125.459%0.59265%0.646SS**Hα-helixtrans-78.7-44.8173-80.6152.8000111.7C567 N568 S573 R574 A575C567-L571 PolarHBondContact O-N 3.14Å; N568-L571 PolarHBondContact O-N 2.95Å; L571-S573 PolarHBondContact O-N 3.5Å; L571-R574 PolarHBondContact O-N 3.34Å; L571-R574 VanDerWaalsContact O-N 3.12Å; L571-A575 PolarHBondContact O-N 2.8Å
572S41.4Very low38.8Very low88 Ų88130 Ų13062%0.61567%0.665SS**THydrogen-bonded Turntrans-67.7-9.8-179.897.50000114.6N568N568-S572 PolarHBondContact O-N 2.92Å
573S40.4Very low38.2Very low76 Ų76129 Ų12953%0.53167%0.667SS.*THydrogen-bonded Turntrans-1020.6178.242.40000113.4K569 R570 L571K569-S573 PolarHBondContact O-OG 2.91Å; R570-S573 PolarHBondContact O-OG 2.85Å; L571-S573 PolarHBondContact O-N 3.5Å
574R38Very low37.9Very low203 Ų203131.1 Ų131.177%0.76667%0.673SS**THydrogen-bonded Turntrans-109.3-28.8175.8-149.6170.5-172.4171.1-0.1113.4L571 L576L571-R574 PolarHBondContact O-N 3.34Å; L571-R574 VanDerWaalsContact O-N 3.12Å; R574-L576 PolarHBondContact O-N 3.15Å
575A37.2Very low37.6Very low78 Ų78135.1 Ų135.165%0.64569%0.69SS**THydrogen-bonded Turntrans-72.826.1176.700000115.1L571L571-A575 PolarHBondContact O-N 2.8Å
576L35.5Very low37.2Very low145 Ų145140.2 Ų140.276%0.75971%0.711SS**THydrogen-bonded Turntrans-126.912.9-173.7-112.7169.8000113.4R574R574-L576 PolarHBondContact O-N 3.15Å
577I41.1Very low36.8Very low140 Ų140144.7 Ų144.772%0.71873%0.73SS**SBendtrans-124.3-20-173.5-64.6-179.9000112.9
578E38Very low36.6Very low170 Ų170149.1 Ų149.179%0.79474%0.743SS**SBendtrans-99.8-8-173.5-70.3173.6139.200114.9N580E578-N580 VanDerWaalsContact C-N 3.27Å; E578-N580 PolarHBondContact O-N 2.91Å
579N32.9Very low36.2Very low151 Ų151150 Ų15081%0.80775%0.752SS**  trans-77.471.3172.8-75.7-2.1000111.6
580N33.6Very low35.8Very low156 Ų156147.3 Ų147.383%0.83475%0.749SS**  trans-161.157.9168.2-113.2-23.2000113.8E578E578-N580 VanDerWaalsContact C-N 3.27Å; E578-N580 PolarHBondContact O-N 2.91Å
581K35.1Very low35.6Very low213 Ų213144.4 Ų144.493%0.92675%0.749SS**  trans-163.8122.4157.3-112.7171.9-178.2-173.90110.3
582Q30.8Very low35.3Very low188 Ų188145.8 Ų145.888%0.87976%0.756SS**  trans-161.3161.5-176.4-166.4168.72.200108.3
583S32.2Very low35.2Very low87 Ų87149.8 Ų149.861%0.60877%0.765SS**  trans66147.1-15776.10000112.8
584E37.7Very low34.9Very low158 Ų158152.8 Ų152.874%0.73878%0.776SS**  cis-124161.23.8-61.478.6-116.400110.9
585D35.8Very low34.7Very low143 Ų143151.2 Ų151.277%0.76578%0.782SS**  cis-162.1-140.6-25.2-86.3-23.7000108.5
586E32.7Very low34.5Very low192 Ų192154.5 Ų154.590%0.89778%0.784SS**  trans-96.3177.2-170.9-67.3165.5149.800113.3
587E34.8Very low34.4Very low198 Ų198154 Ų15493%0.92579%0.79SS**  cis-160-158.844.8-152.8172.1-172.200113.5
588E30.6Very low34Very low170 Ų170154 Ų15479%0.79479%0.787SS**  trans-115.2-170.7-150.6-162.9170.4-156.500116.6
589T34Very low33.5Very low120 Ų120154 Ų15474%0.73679%0.791SS**  trans83.4106.9175.365.40000115.9
590T31Very low33.5Very low107 Ų107155.8 Ų155.866%0.65680%0.797SS**  83.6118.557.667.10000114.6
591D33.9Very low33.3Very low137 Ų137158.5 Ų158.573%0.73380%0.796SS**  167.1128.3119.6-75.9-7.2000112.1
592D35.4Very low33.1Very low141 Ų141154.5 Ų154.575%0.75478%0.784SS**  trans58.6134.9142.3-58.2-18000127.3
593E38.1Very low33.3Very low172 Ų172155.5 Ų155.580%0.80479%0.786SS**  trans79.4123.7141.7-71.4175.8171.900124.8
594D34.8Very low33.2Very low140 Ų140158.2 Ų158.275%0.74979%0.793SS**  trans75.999.8137.9-64.98.5000125
595D33Very low33Very low170 Ų170158.9 Ų158.991%0.90980%0.8SS**  trans15.5110.3138.6-74.2-28.6000121.1
596E33.6Very low32.9Very low146 Ų146154.3 Ų154.368%0.68279%0.787SS**  trans-143.4118.7150.6-161.2-169.6-129.700111.6H598E596-H598 VanDerWaalsContact C-N 3.26Å; E596-H598 HydrophobicContact CG-CB 4.23Å; E596-H598 PolarHBondContact O-N 2.82Å; E596-H598 IonicContact OE1-CD2 2.67Å; E596-H598 WeakPolarHBondContact OE2-CB 3.31Å; E596-H598 IonicContact OE2-CD2 2.9Å; E596-H598 IonicContact OE2-CG 3.66Å; E596-H598 VanDerWaalsContact OE2-CG 3.32Å; E596-H598 IonicContact OE2-ND1 3.42Å
597P32.5Very low33Very low136 Ų136150.6 Ų150.688%0.88378%0.779SS**  trans-84.857.6-17834.9-36.2000112.4
598H33.3Very low33.3Very low139 Ų139146.9 Ų146.964%0.64477%0.766SS**  trans-91.4137.9-171.2-101.6-130.8000116.3E596 M600E596-H598 VanDerWaalsContact C-N 3.26Å; E596-H598 HydrophobicContact CG-CB 4.23Å; E596-H598 PolarHBondContact O-N 2.82Å; E596-H598 IonicContact OE1-CD2 2.67Å; E596-H598 WeakPolarHBondContact OE2-CB 3.31Å; E596-H598 IonicContact OE2-CD2 2.9Å; E596-H598 IonicContact OE2-CG 3.66Å; E596-H598 VanDerWaalsContact OE2-CG 3.32Å; E596-H598 IonicContact OE2-ND1 3.42Å; H598-M600 PolarHBondContact O-N 2.87Å
599L28.3Very low33.8Very low170 Ų170145 Ų14589%0.8976%0.761SS**  trans-69.787.5-167-174.181.3000113.6
600M32.2Very low34.1Very low189 Ų189146.4 Ų146.493%0.93176%0.759SS**  trans-87.6116.4173-91.7-6717500113.4H598H598-M600 PolarHBondContact O-N 2.87Å
601R29.9Very low34.7Very low213 Ų213145.8 Ų145.880%0.80475%0.749SS**  trans-101.9140.5-173.4-177.4-178.9-174.9169.53.4111.9
602N30Very low35.1Very low128 Ų128146.3 Ų146.368%0.68474%0.744SS**  trans59.2111.5169.4-74.7-0.5000118.2
603K34.8Very low35.5Very low209 Ų209145.4 Ų145.491%0.90974%0.739SS**  trans-141.791.4135.4-113.5173.3-171.8172.80111.5I605K603-I605 PolarHBondContact O-N 2.82Å
604N30.2Very low35.7Very low144 Ų144143.8 Ų143.877%0.7774%0.735SS**  trans-14.6109.6170.3-50.5-11.3000116.4
605I34.6Very low36.1Very low172 Ų172144.2 Ų144.288%0.88273%0.733SS**  trans-109.3117.7144.8-68.7178.9000106.1K603K603-I605 PolarHBondContact O-N 2.82Å
606G32.9Very low36.3Very low48 Ų48141.5 Ų141.550%0.49573%0.726SS.*  trans-87-165.4-171.700000114.2D608G606-D608 PolarHBondContact O-N 3.12Å
607P36.1Very low36.6Very low113 Ų113141.1 Ų141.173%0.73473%0.727SS**THydrogen-bonded Turntrans-77.737-164.533.9-38.7000115.2H611P607-H611 WeakPolarHBondContact O-CB 3.46Å
608D40.3Very low36.9Very low120 Ų120143 Ų14364%0.64272%0.721SS**Hα-helixtrans-81.7-28.4-179.1-104.1-42.2000113.5G606 H611 F612G606-D608 PolarHBondContact O-N 3.12Å; D608-H611 PolarHBondContact O-N 3.1Å; D608-F612 WeakPolarHBondContact O-CB 3.48Å; D608-F612 PolarHBondContact O-N 3.37Å
609L40.7Very low36.9Very low132 Ų132143.1 Ų143.169%0.69173%0.734SS**Hα-helixtrans-71.9-40.3-174.5-162.967.9000112.8L613L609-L613 WeakPolarHBondContact O-CG 3.27Å; L609-L613 PolarHBondContact O-N 3.18Å; L609-L613 VanDerWaalsContact O-N 3.14Å
610E39.8Very low37.4Very low149 Ų149138 Ų13870%0.69672%0.722SS**Hα-helixtrans-69-37.7172.2-65.1-171.9121.700111.5F612 L613 L614E610-F612 VanDerWaalsContact C-N 3.34Å; E610-F612 PolarHBondContact O-N 2.97Å; E610-L613 PolarHBondContact O-N 2.79Å; E610-L614 WeakPolarHBondContact O-CB 3.38Å; E610-L614 WeakPolarHBondContact O-CG 3.01Å; E610-L614 PolarHBondContact O-N 3.45Å
611H45.2Very low38.1Very low94 Ų94132.4 Ų132.444%0.43571%0.706SS.*Hα-helixtrans-66.7-35.8177.1-165.3-105.6000112.1P607 D608P607-H611 WeakPolarHBondContact O-CB 3.46Å; D608-H611 PolarHBondContact O-N 3.1Å
612F41.1Very low38.3Very low147 Ų147125.6 Ų125.665%0.64569%0.692SS**Hα-helixtrans-65.9-43.9173.6-173.5-100.6000112.1D608 E610 L614 Q615D608-F612 WeakPolarHBondContact O-CB 3.48Å; D608-F612 PolarHBondContact O-N 3.37Å; E610-F612 VanDerWaalsContact C-N 3.34Å; E610-F612 PolarHBondContact O-N 2.97Å; F612-L614 PolarHBondContact O-N 3.34Å; F612-Q615 PolarHBondContact O-N 3.2Å
613L43.6Very low38.7Very low123 Ų123128.2 Ų128.264%0.64470%0.697SS**Hα-helixtrans-66.8-34.4177.3-71.8170.3000112.7L609 E610 Q615L609-L613 WeakPolarHBondContact O-CG 3.27Å; L609-L613 PolarHBondContact O-N 3.18Å; L609-L613 VanDerWaalsContact O-N 3.14Å; E610-L613 PolarHBondContact O-N 2.79Å; L613-Q615 PolarHBondContact O-N 2.85Å
614L42.4Very low39Very low138 Ų138126.4 Ų126.472%0.72369%0.689SS**G310 helixtrans-69.6-10.3176.1-76.4168.1000114.4E610 F612E610-L614 WeakPolarHBondContact O-CB 3.38Å; E610-L614 WeakPolarHBondContact O-CG 3.01Å; E610-L614 PolarHBondContact O-N 3.45Å; F612-L614 PolarHBondContact O-N 3.34Å
615Q43.7Very low39.4Very low148 Ų148122.5 Ų122.569%0.69268%0.677SS**G310 helixtrans-89.9-5.3-172.7-159.1158.26.100114.7F612 L613F612-Q615 PolarHBondContact O-N 3.2Å; L613-Q615 PolarHBondContact O-N 2.85Å
616C36.6Very low39.8Very low113 Ų113118.9 Ų118.976%0.76466%0.658SS**G310 helixtrans-93.1-4.2-174.2-72.80000116
617I40.2Very low40.2Very low139 Ų139120.3 Ų120.371%0.71366%0.661SS**SBendtrans-120.9109.7-172.9-56-179.3000112.4
618K39.9Very low40.5Very low175 Ų175118.1 Ų118.176%0.76165%0.653SS**  trans54.1112.4169.2-70-179.3178173.30117.7G620K618-G620 PolarHBondContact O-N 2.89Å
619P32.9Very low40.4Very low141 Ų141116.5 Ų116.592%0.91666%0.656SS**THydrogen-bonded Turntrans-70.8101.1174.830.3-34000111.4
620G38.4Very low40.3Very low62 Ų62116 Ų11664%0.63965%0.654SS**THydrogen-bonded Turntrans169.7-40.5176.300000113.4K618K618-G620 PolarHBondContact O-N 2.89Å
621A46.6Very low40.2Very low72 Ų72112.2 Ų112.260%0.59565%0.648SS**THydrogen-bonded Turntrans-76.8-34.1179.400000113.3K623 K624 A625A621-K623 VanDerWaalsContact C-N 3.26Å; A621-K623 PolarHBondContact O-N 2.88Å; A621-K623 VanDerWaalsContact O-N 3.14Å; A621-K624 PolarHBondContact O-N 2.87Å; A621-A625 PolarHBondContact O-N 2.87Å
622S34.8Very low39.5Very low71 Ų71116.6 Ų116.650%0.49767%0.666SS.*Hα-helixtrans-57.3-32-173.455.10000114.5K624 A625 L626S622-K624 VanDerWaalsContact C-N 3.32Å; S622-K624 PolarHBondContact O-N 3.44Å; S622-A625 PolarHBondContact O-N 3.03Å; S622-L626 VanDerWaalsContact O-CB 3.29Å; S622-L626 WeakPolarHBondContact O-CB 3.4Å; S622-L626 PolarHBondContact O-N 2.82Å
623K39.1Very low39.1Very low183 Ų183121 Ų12180%0.79668%0.678SS**Hα-helixtrans-68.3-25.4175.9-76.1-168.2175-1750114.1A621 S627A621-K623 VanDerWaalsContact C-N 3.26Å; A621-K623 PolarHBondContact O-N 2.88Å; A621-K623 VanDerWaalsContact O-N 3.14Å; K623-S627 PolarHBondContact O-OG 2.83Å
624K40.6Very low38.5Very low171 Ų171121.6 Ų121.674%0.74368%0.682SS**Hα-helixtrans-83.6-39.8172.7-83.7-172.4170.7-173.90111.9A621 S622 S627 A628A621-K624 PolarHBondContact O-N 2.87Å; S622-K624 VanDerWaalsContact C-N 3.32Å; S622-K624 PolarHBondContact O-N 3.44Å; K624-S627 WeakPolarHBondContact CA-OG 3.28Å; K624-S627 PolarHBondContact O-N 3.26Å; K624-S627 PolarHBondContact O-OG 3.14Å; K624-A628 PolarHBondContact O-N 3.27Å; K624-A628 VanDerWaalsContact O-N 3.11Å
625A39.1Very low37.7Very low62 Ų62120.2 Ų120.251%0.51268%0.684SS.*Hα-helixtrans-60.8-47.8175.100000111.5A621 S622 S627 A628 A629A621-A625 PolarHBondContact O-N 2.87Å; S622-A625 PolarHBondContact O-N 3.03Å; A625-S627 VanDerWaalsContact C-N 3.3Å; A625-S627 PolarHBondContact O-N 3.1Å; A625-A628 PolarHBondContact O-N 3.38Å; A625-A628 VanDerWaalsContact O-N 3.07Å; A625-A629 PolarHBondContact O-N 3.39Å
626L41.2Very low37.1Very low95 Ų95118.9 Ų118.950%0.49769%0.688SS.*Hα-helixtrans-67.9-26.6-179.6-164.566.7000113S622 N630S622-L626 VanDerWaalsContact O-CB 3.29Å; S622-L626 WeakPolarHBondContact O-CB 3.4Å; S622-L626 PolarHBondContact O-N 2.82Å; L626-N630 PolarHBondContact O-ND2 2.72Å
627S41.4Very low36.7Very low78 Ų78120.9 Ų120.955%0.54569%0.69SS.*Hα-helixtrans-75.5-28.5170.5560000113.6K623 K624 A625K623-S627 PolarHBondContact O-OG 2.83Å; K624-S627 WeakPolarHBondContact CA-OG 3.28Å; K624-S627 PolarHBondContact O-N 3.26Å; K624-S627 PolarHBondContact O-OG 3.14Å; A625-S627 VanDerWaalsContact C-N 3.3Å; A625-S627 PolarHBondContact O-N 3.1Å
628A42.2Very low36.3Very low68 Ų68123.2 Ų123.256%0.56270%0.698SS**Hα-helixtrans-77.7-43.9176.700000111.6K624 A625 N630 A631K624-A628 PolarHBondContact O-N 3.27Å; K624-A628 VanDerWaalsContact O-N 3.11Å; A625-A628 PolarHBondContact O-N 3.38Å; A625-A628 VanDerWaalsContact O-N 3.07Å; A628-N630 PolarHBondContact O-N 3Å; A628-N630 VanDerWaalsContact O-N 3.17Å; A628-A631 VanDerWaalsContact O-CB 3.28Å; A628-A631 WeakPolarHBondContact O-CB 3.38Å; A628-A631 PolarHBondContact O-N 3.43Å
629A38.1Very low35.7Very low86 Ų86125 Ų12571%0.71170%0.701SS**Hα-helixtrans-63-21.9-18000000114.1A625A625-A629 PolarHBondContact O-N 3.39Å
630N39.6Very low35.7Very low122 Ų122125 Ų12565%0.65270%0.7SS**THydrogen-bonded Turntrans-955.2177.2-74.6-75.7000113.8L626 A628 K632L626-N630 PolarHBondContact O-ND2 2.72Å; A628-N630 PolarHBondContact O-N 3Å; A628-N630 VanDerWaalsContact O-N 3.17Å; N630-K632 VanDerWaalsContact C-N 3.35Å; N630-K632 PolarHBondContact O-N 2.93Å
631A37.7Very low35.3Very low68 Ų68130 Ų13056%0.56271%0.706SS**  trans-79.876.2-179.500000112.2A628 W633A628-A631 VanDerWaalsContact O-CB 3.28Å; A628-A631 WeakPolarHBondContact O-CB 3.38Å; A628-A631 PolarHBondContact O-N 3.43Å; A631-W633 PolarHBondContact O-N 2.98Å; A631-W633 VanDerWaalsContact O-N 3.08Å
632K30.2Very low34.4Very low186 Ų186132.7 Ų132.781%0.80972%0.715SS**  trans-61.1106.3177.2-177.1-179.5-177.7178.60111.9N630N630-K632 VanDerWaalsContact C-N 3.35Å; N630-K632 PolarHBondContact O-N 2.93Å
633W32.1Very low34.2Very low241 Ų241135.5 Ų135.591%0.91373%0.729SS**  trans-123.4149.4169.5-96.373.1000112A631A631-W633 PolarHBondContact O-N 2.98Å; A631-W633 VanDerWaalsContact O-N 3.08Å
634N32.7Very low33.8Very low135 Ų135131.4 Ų131.472%0.72272%0.724SS**  trans-94.3162.3-169.9-54.7-54.6000111.9
635S25.7Very low33.6Very low108 Ų108129 Ų12976%0.75573%0.726SS**  trans-68.6168.1167.261.40000111.6
636P30Very low33.4Very low121 Ų121133.3 Ų133.379%0.78674%0.739SS**  -134.9169.883.737.7-25.6000114.5
637L28.8Very low32.9Very low154 Ų154139.2 Ų139.281%0.80676%0.757SS**  trans-67.8151.7169-59.2100.9000111.1
638Q31.6Very low32.7Very low189 Ų189140.3 Ų140.388%0.88376%0.762SS**  trans-138.8125.5154.2-128.1171.9-5.200110.6
639Y28Very low32Very low211 Ų211147.2 Ų147.283%0.82778%0.779SS**  trans-77.8127.5170.8-105.7-112.1000109.1
640T32.3Very low31.8Very low143 Ų143148.8 Ų148.888%0.87778%0.78SS**  trans-136.3136.6155.541.50000108.6
641Q28.6Very low31.3Very low165 Ų165148.2 Ų148.277%0.77179%0.786SS**  trans-127.2160.9-165.3-169.6-177.94.500109.2
642V28.3Very low31.3Very low130 Ų130150.7 Ų150.779%0.78880%0.796SS**  trans69.8130177.3-1480000111.4
643T32Very low31.5Very low129 Ų129149.3 Ų149.379%0.79180%0.796SS**  cis-135.8153.732.447.30000113.6
644S28.9Very low31.3Very low98 Ų98143.9 Ų143.969%0.68579%0.794SS**  trans-84.5145.6168.845.40000112.8L646S644-L646 PolarHBondContact O-N 2.88Å
645P37.4Very low31.4Very low121 Ų121146.2 Ų146.279%0.78680%0.8SS**  trans-80.493.4165.332-31.1000109.9
646L34.2Very low31.7Very low152 Ų152148.5 Ų148.580%0.79680%0.804SS**  trans-61.2138.2157.8-78.8162.8000108.8S644 P648S644-L646 PolarHBondContact O-N 2.88Å; L646-P648 VanDerWaalsContact O-CD 3.32Å; L646-P648 WeakPolarHBondContact O-CD 3.42Å
647Y31.4Very low31.8Very low219 Ų219151 Ų15186%0.85981%0.811SS**  trans-89.1114.2169.3-93.6-98.2000109.9
648P36.7Very low31.9Very low101 Ų101149 Ų14966%0.65681%0.809SS**  trans-100.8119.2168.213.78000109.7L646 T650L646-P648 VanDerWaalsContact O-CD 3.32Å; L646-P648 WeakPolarHBondContact O-CD 3.42Å; P648-T650 PolarHBondContact O-N 2.85Å
649F28.1Very low32.2Very low212 Ų212149.5 Ų149.593%0.9381%0.812SS**  trans-7293.8163.7-99.4-92.7000109
650T33.9Very low32.5Very low119 Ų119147 Ų14773%0.7381%0.813SS**  trans-154.9125.3169.2-0.20000110.1P648P648-T650 PolarHBondContact O-N 2.85Å
651S29.6Very low32.5Very low110 Ų110145.7 Ų145.777%0.76980%0.8SS**PPolyproline II helixtrans-76.7127.5178.542.30000111.5
652P36.7Very low32.9Very low121 Ų121146.4 Ų146.479%0.78680%0.804SS**PPolyproline II helixtrans-71.3134.1162.8-12.128.4000109.6
653I34.2Very low33Very low157 Ų157148.4 Ų148.481%0.80580%0.797SS**PPolyproline II helixtrans-78.6122.4168.6-65.8166.2000107.3
654C28.7Very low32.9Very low127 Ų127148.8 Ų148.886%0.85879%0.794SS**PPolyproline II helixtrans-79.9141.1163.8-66.10000108.9
655Q34.6Very low33.1Very low184 Ų184153 Ų15386%0.8680%0.8SS**  trans-120.3135.6-177.6-172168.2-22.800108.3
656D31.1Very low33Very low155 Ų155154.9 Ų154.983%0.82980%0.801SS**  trans-66.5141.9-175.5-58.1-71.6000112.4
657D33.9Very low32.9Very low175 Ų175155 Ų15594%0.93680%0.802SS**  trans-147143.8150.6-97.1-42000108.5
658S30.7Very low33Very low110 Ų110152.5 Ų152.577%0.76980%0.803SS**  trans-135136.9-16760.50000112.4
659E36.9Very low32.8Very low200 Ų200154 Ų15494%0.93581%0.812SS**  trans-150.9157.7167.3-116.1170.1-15500112.2
660D34.5Very low32.8Very low159 Ų159153.6 Ų153.685%0.8580%0.804SS**  trans-121.6162.6-152-80-61.9000117
661D33.1Very low32.4Very low116 Ų116158.4 Ų158.462%0.6281%0.809SS**  trans71.2174.1150-127.4-39.9000121.6R663D661-R663 IonicContact OD1-CZ 2.91Å; D661-R663 IonicContact OD1-NE 2.83Å; D661-R663 PolarHBondContact OD1-NE 2.76Å; D661-R663 VanDerWaalsContact OD1-NE 3.1Å; D661-R663 IonicContact OD1-NH2 3.73Å; D661-R663 PolarHBondContact OD1-NH2 2.85Å; D661-R663 IonicContact OD2-NH2 3.78Å; D661-R663 PolarHBondContact OD2-NH2 2.77Å
662E35.7Very low32.6Very low180 Ų180158.7 Ų158.784%0.84181%0.811SS**  trans76.7109-176.7-63.7-105.5111.300116.9
663R32Very low32.3Very low171 Ų171158.7 Ų158.765%0.64581%0.814SS**  cis11394.8-0.2-160.3-175-63.9-1306117.2D661D661-R663 IonicContact OD1-CZ 2.91Å; D661-R663 IonicContact OD1-NE 2.83Å; D661-R663 PolarHBondContact OD1-NE 2.76Å; D661-R663 VanDerWaalsContact OD1-NE 3.1Å; D661-R663 IonicContact OD1-NH2 3.73Å; D661-R663 PolarHBondContact OD1-NH2 2.85Å; D661-R663 IonicContact OD2-NH2 3.78Å; D661-R663 PolarHBondContact OD2-NH2 2.77Å
664N29.8Very low32.2Very low138 Ų138156.3 Ų156.374%0.73882%0.818SS**  trans82.1148.1148.4-72.9-35.2000123.3
665K31.6Very low32.2Very low185 Ų185153.2 Ų153.280%0.80481%0.807SS**  trans76152.7166.9-60.8155.2-174.1168.30115.7
666M35.8Very low32Very low162 Ų162153.3 Ų153.380%0.79881%0.808SS**  cis-131.9138.31.1-105.9118.5164.200109.2
667N32.3Very low32Very low154 Ų154149.8 Ų149.882%0.82480%0.795SS**  65.9131.782.6-80.3-14.2000118.1
668L32.4Very low31.9Very low167 Ų167149.6 Ų149.687%0.87479%0.792SS**  trans-75.4169.5-179.1-66.1150.9000113.8
669P34.4Very low31.9Very low131 Ų131147.9 Ų147.985%0.85179%0.792SS**  -140.3-178.211537.9-25.1000115.4
670R26.6Very low31.7Very low204 Ų204145.7 Ų145.777%0.7779%0.786SS**  trans-146.4156.5-172-163.9-162.4-172.8-166.45.3110.9
671W25.8Very low31.6Very low221 Ų221149.1 Ų149.184%0.83779%0.787SS**  trans71.4163.6177.4-61.7-11.9000114.3
672S33.4Very low31.7Very low115 Ų115147.7 Ų147.780%0.80479%0.787SS**  cis-142.9166.511.454.70000113.9
673S30.5Very low31.8Very low121 Ų121147 Ų14785%0.84678%0.783SS**  trans-91150.5176.4-44.80000113.6
674A31.7Very low31.9Very low107 Ų107149.7 Ų149.788%0.88479%0.793SS**  trans165.3148131.900000114.6
675G29Very low32Very low62 Ų62146.3 Ų146.364%0.63979%0.791SS**  trans110.5106.8134.500000121.2
676H31.1Very low32.1Very low187 Ų187146 Ų14687%0.86680%0.797SS**  trans62.8160.8140.1-67-88.4000121.9
677S30.9Very low31.8Very low81 Ų81145.3 Ų145.357%0.56680%0.797SS**  cis-175.8164.8-39.859.30000112.2
678I31.7Very low32Very low171 Ų171146.9 Ų146.988%0.87780%0.799SS**  trans83.9133.7157.7-60.8158.7000119.4
679G31.5Very low32Very low73 Ų73145.5 Ų145.575%0.75379%0.792SS**  trans117.6110.2151.900000117.5
680N31.6Very low32.1Very low154 Ų154144.4 Ų144.482%0.82479%0.788SS**  cis134.6106.1-14.5-175.119.2000111.8
681R33.7Very low32.4Very low231 Ų231142 Ų14287%0.87279%0.79SS**  trans171.9118.4153.4-100.6168.6-175.8-1720.7110.9
682S34.7Very low32.8Very low87 Ų87140.4 Ų140.461%0.60879%0.789SS**  73.5131.485.879.50000114.2
683H36.9Very low32.7Very low165 Ų165143.1 Ų143.176%0.76479%0.789SS**  cis-149.4-178.417.8-95.1-50.8000110.1
684R33.8Very low32.9Very low227 Ų227143.5 Ų143.586%0.85778%0.78SS**  cis-131-143.37.7-133.2154.9-161170.55109.4
685G32Very low33Very low67 Ų67144.8 Ų144.869%0.69177%0.772SS**  cis102.1127.48.300000112.4
686L35.3Very low33.4Very low178 Ų178149.4 Ų149.493%0.93278%0.777SS**  cis-135.8161.88.8-84.8158.7000112.8
687N29.7Very low33.8Very low148 Ų148146.1 Ų146.179%0.79177%0.766SS**  trans-98.8159.3176.2-60.1-23.2000112.3
688H35.2Very low34.4Very low187 Ų187147.8 Ų147.887%0.86678%0.775SS**  -157.6150.3126.5-129.4-86.5000113.7
689N32.5Very low34.9Very low139 Ų139145.9 Ų145.974%0.74377%0.766SS**  trans-99.5150.8175.4-56.1-24.2000110.9
690S36.2Very low35.4Very low108 Ų108149.4 Ų149.476%0.75577%0.768SS**  173123.2120.159.90000114.6
691D32.7Very low35.8Very low154 Ų154147.5 Ų147.582%0.82476%0.758SS**  trans19.5149.7139.9-47.5-20.7000124.3
692K35.3Very low36Very low186 Ų186142.8 Ų142.881%0.80975%0.75SS**  trans88.8101.4154.7-71.5175178.61770122.1
693E30.4Very low36.4Very low173 Ų173144.6 Ų144.681%0.80875%0.753SS**  60.7144.1104.7-134175.6-162.400122.5
694I34.3Very low36.3Very low128 Ų128142.4 Ų142.466%0.65675%0.746SS**  trans98.997.5157.3-56.4175.8000120.2
695N33.9Very low36.6Very low135 Ų135142.6 Ų142.672%0.72275%0.747SS**  62.6167.8129.8-60.1-3000125.6
696H38.1Very low36.6Very low158 Ų158150.4 Ų150.473%0.73176%0.755SS**  trans82.1137163.1-67.6-72.5000117.7
697D40.6Very low36.5Very low119 Ų119145.9 Ų145.964%0.63674%0.743SS**  cis-160-178.3-15.3-139.9-20.2000110
698P43.4Very low36.7Very low115 Ų115146.3 Ų146.375%0.74775%0.746SS**  -152.116872.240.2-18.5000119.8
699D41.4Very low36.8Very low131 Ų131142.6 Ų142.670%0.70174%0.741SS**  trans-31.7159.1165.4-71.4-72.8000118.3
700N42.2Very low36.9Very low148 Ų148141.4 Ų141.479%0.79174%0.743SS**  cis-158.3-177.945.2-155.2-11.9000115.1
701N39.4Very low37Very low113 Ų113141.3 Ų141.360%0.60474%0.743SS**  trans-94.8178.5-150.1-76.6-85.2000118.1
702N39.3Very low37.3Very low132 Ų132144.2 Ų144.271%0.70675%0.748SS**  trans86.4139.4165.3-51.2-64.3000115.7
703N41.3Very low37.7Very low126 Ų126142.7 Ų142.767%0.67475%0.748SS**  cis-169.4158.9-9.2-105.2-22.2000108.2
704L36.1Very low37.9Very low118 Ų118138.8 Ų138.862%0.61874%0.739SS**  cis-165.6179.7-12.3-170.249.8000108.5
705W39.2Very low38.2Very low231 Ų231144 Ų14488%0.87575%0.751SS**  trans77160.4164.6-61.5115.8000120.2
706R31.4Very low38.4Very low232 Ų232146.8 Ų146.888%0.87576%0.756SS**  trans-155.7151.4-150-163.1-166.4-149166.58.6111
707A34.2Very low38.7Very low82 Ų82149.6 Ų149.668%0.67877%0.767SS**  trans75.7165.3156.500000119.8
708N33.4Very low38.4Very low158 Ų158152.5 Ų152.585%0.84577%0.774SS**  trans93.2112.1159.4-65.6-12.3000121.3
709S36.6Very low38.1Very low108 Ų108156.1 Ų156.176%0.75578%0.778SS**  trans89.7102.8135.4-146.10000119.6
710S35.3Very low37.9Very low114 Ų114155.7 Ų155.780%0.79779%0.785SS**  trans-55.8135.4148.551.60000113.2
711S38.6Very low37.7Very low106 Ų106152.7 Ų152.774%0.74178%0.78SS**  trans-151.872.1157.251.30000111.4
712F39.2Very low38Very low216 Ų216154 Ų15495%0.94779%0.788SS**  trans-69.5134.2173.4-134.8-83.2000110.6
713I42.8Very low38.8Very low154 Ų154154.3 Ų154.379%0.7979%0.789SS**  trans-77.7128-167.7-67.2174.7000112.1
714S34.9Very low39.4Very low90 Ų90151.6 Ų151.663%0.62978%0.78SS**  trans48.4111.7154.6-165.30000119.5
715R40Very low40.4Very low238 Ų238150.4 Ų150.490%0.89878%0.775SS**  -156.7135.5112.4-118.6160-83.4-161.7-6.2113.3
716K38.9Very low41.3Very low194 Ų194146 Ų14684%0.84376%0.764SS**  trans-66.9129.6160.9-65.71711781740108
717F43.5Very low42.8Very low217 Ų217144.7 Ų144.795%0.95276%0.759SS**  -169.3168.9127.1-115.4-84.3000109.9
718K36.2Very low44.3Very low180 Ų180145.9 Ų145.978%0.78375%0.753SS**  trans-131.1128.8-151.3-175.8178.1-178.5179.90113.2
719K36Very low45.8Very low191 Ų191143.4 Ų143.483%0.8374%0.739SS**  trans68.2128.2164.7-79.2-173.5170-169.20119.7
720S36.6Very low47.3Very low121 Ų121146 Ų14685%0.84674%0.737SS**  trans7792.1130.8-169.40000121
721A38.8Very low49.1Very low85 Ų85149.8 Ų149.870%0.70273%0.734SS**  trans-155.1133.5140.800000112.8
722N46.6Very low50.8Low142 Ų142148.1 Ų148.176%0.75972%0.719SS**  trans45.6143.5148.7-63.8-11.1000124.8S724N722-S724 VanDerWaalsContact C-N 3.31Å; N722-S724 PolarHBondContact O-N 2.78Å
723N54.6Low52.4Low137 Ų137144.2 Ų144.273%0.73370%0.703SS**THydrogen-bonded Turntrans-83.26.2-171-154.62.6000114.6
724S54.9Low53.9Low70 Ų70142.4 Ų142.449%0.4969%0.693SS.*THydrogen-bonded Turntrans-72.4-42.7178.5440000112.3N722 Q726 R727 L728N722-S724 VanDerWaalsContact C-N 3.31Å; N722-S724 PolarHBondContact O-N 2.78Å; S724-Q726 VanDerWaalsContact C-N 3.34Å; S724-Q726 PolarHBondContact O-N 3.33Å; S724-R727 PolarHBondContact O-N 2.78Å; S724-R727 VanDerWaalsContact O-N 3.14Å; S724-L728 PolarHBondContact O-N 2.85Å
725D56.9Low56Low93 Ų93142.2 Ų142.250%0.49769%0.688SS.*Hα-helixtrans-75.6-25.4-159.3-64.40.7000112.4R727 L728 L729D725-R727 VanDerWaalsContact C-N 3.32Å; D725-R727 PolarHBondContact O-N 3.12Å; D725-L728 PolarHBondContact O-N 3.19Å; D725-L729 WeakPolarHBondContact O-CB 3.36Å; D725-L729 PolarHBondContact O-N 2.85Å
726Q58.6Low57.9Low138 Ų138134.7 Ų134.765%0.64567%0.669SS**Hα-helixtrans-64.4-33.6172.8-72.1-163.8-0.300113.1S724 K730S724-Q726 VanDerWaalsContact C-N 3.34Å; S724-Q726 PolarHBondContact O-N 3.33Å; Q726-K730 WeakPolarHBondContact O-CG 3.35Å; Q726-K730 PolarHBondContact O-N 2.83Å; Q726-K730 VanDerWaalsContact O-N 3.16Å
727R61.4Low59.9Low205 Ų205132.8 Ų132.877%0.77466%0.656SS**Hα-helixtrans-72.3-36174.5-72.1-174.8173.9-170.9-1.7111.1S724 D725 R731S724-R727 PolarHBondContact O-N 2.78Å; S724-R727 VanDerWaalsContact O-N 3.14Å; D725-R727 VanDerWaalsContact C-N 3.32Å; D725-R727 PolarHBondContact O-N 3.12Å; R727-R731 PolarHBondContact O-N 3.16Å; R727-R731 VanDerWaalsContact O-N 3.16Å
728L66Low61.6Low107 Ų107125 Ų12556%0.5663%0.625SS**Hα-helixtrans-68.2-47.8177.1-138.5168.9000110.8S724 D725 K730 R731 V732S724-L728 PolarHBondContact O-N 2.85Å; D725-L728 PolarHBondContact O-N 3.19Å; L728-K730 VanDerWaalsContact C-N 3.34Å; L728-K730 PolarHBondContact O-N 2.75Å; L728-R731 PolarHBondContact O-N 2.9Å; L728-R731 VanDerWaalsContact O-N 3.12Å; L728-V732 HydrophobicContact CD2-CG2 3.97Å; L728-V732 WeakPolarHBondContact O-CG2 3.48Å; L728-V732 PolarHBondContact O-N 3.15Å
729L65.5Low63.9Low106 Ų106120.1 Ų120.156%0.55561%0.61SS**Hα-helixtrans-56-42.5173.8-96160.4000113.1D725 V732 H733D725-L729 WeakPolarHBondContact O-CB 3.36Å; D725-L729 PolarHBondContact O-N 2.85Å; L729-V732 PolarHBondContact O-N 2.78Å; L729-H733 PolarHBondContact O-N 2.9Å
730K69Low66Low161 Ų161113.6 Ų113.670%0.759%0.588SS**Hα-helixtrans-64.5-40.5175.4-77.2-174.2178.6-174.10112.4Q726 L728 H733 M734Q726-K730 WeakPolarHBondContact O-CG 3.35Å; Q726-K730 PolarHBondContact O-N 2.83Å; Q726-K730 VanDerWaalsContact O-N 3.16Å; L728-K730 VanDerWaalsContact C-N 3.34Å; L728-K730 PolarHBondContact O-N 2.75Å; K730-H733 PolarHBondContact O-N 3.47Å; K730-M734 PolarHBondContact O-N 3.06Å; K730-M734 VanDerWaalsContact O-N 3.09Å
731R72Confident68.1Low194 Ų194112 Ų11273%0.73257%0.567SS**Hα-helixtrans-63.9-44173.6-76.3-176.6173.3-177.6-2.6111.9R727 L728 H733 M734 V735R727-R731 PolarHBondContact O-N 3.16Å; R727-R731 VanDerWaalsContact O-N 3.16Å; L728-R731 PolarHBondContact O-N 2.9Å; L728-R731 VanDerWaalsContact O-N 3.12Å; R731-H733 PolarHBondContact O-N 3.21Å; R731-M734 PolarHBondContact O-N 2.94Å; R731-V735 WeakPolarHBondContact O-CG2 3.4Å; R731-V735 PolarHBondContact O-N 2.79Å
732V75.2Confident70.2Confident71 Ų71113.1 Ų113.143%0.4356%0.56SS.*Hα-helixtrans-60.9-44.7176.8172.80000111.2L728 L729 M734 V735 T736L728-V732 HydrophobicContact CD2-CG2 3.97Å; L728-V732 WeakPolarHBondContact O-CG2 3.48Å; L728-V732 PolarHBondContact O-N 3.15Å; L729-V732 PolarHBondContact O-N 2.78Å; V732-M734 VanDerWaalsContact C-N 3.3Å; V732-M734 PolarHBondContact O-N 2.98Å; V732-V735 PolarHBondContact O-N 2.67Å; V732-T736 HydrophobicContact CG1-CG2 4.4Å; V732-T736 WeakPolarHBondContact O-CG2 3.45Å; V732-T736 PolarHBondContact O-N 2.61Å; V732-T736 PolarHBondContact O-OG1 2.9Å
733H71.5Confident72Confident134 Ų134109.3 Ų109.362%0.6254%0.542SS*.Hα-helixtrans-63.2-32175.9-101.673.5000113.9L729 K730 R731 T736 R737L729-H733 PolarHBondContact O-N 2.9Å; K730-H733 PolarHBondContact O-N 3.47Å; R731-H733 PolarHBondContact O-N 3.21Å; H733-T736 WeakPolarHBondContact CA-OG1 3.23Å; H733-T736 PolarHBondContact O-OG1 2.86Å; H733-R737 WeakPolarHBondContact O-CB 3.38Å; H733-R737 PolarHBondContact O-N 3.46Å
734M74.6Confident73.5Confident116 Ų116107.7 Ų107.757%0.57153%0.528SS*.Hα-helixtrans-70.4-47.9175-157.2178.487.700110.6K730 R731 V732 T736 R737 D738K730-M734 PolarHBondContact O-N 3.06Å; K730-M734 VanDerWaalsContact O-N 3.09Å; R731-M734 PolarHBondContact O-N 2.94Å; V732-M734 VanDerWaalsContact C-N 3.3Å; V732-M734 PolarHBondContact O-N 2.98Å; M734-T736 PolarHBondContact O-N 2.75Å; M734-R737 WeakPolarHBondContact O-CB 3.42Å; M734-R737 PolarHBondContact O-N 2.94Å; M734-D738 VanDerWaalsContact O-CG 3.22Å; M734-D738 PolarHBondContact O-N 3.44Å
735V80.3Confident74.9Confident87 Ų87105.9 Ų105.953%0.52752%0.521SS..Hα-helixtrans-61.9-41.8178.2173.50000112R731 V732 R737 D738 V739R731-V735 WeakPolarHBondContact O-CG2 3.4Å; R731-V735 PolarHBondContact O-N 2.79Å; V732-V735 PolarHBondContact O-N 2.67Å; V735-R737 VanDerWaalsContact C-N 3.32Å; V735-R737 PolarHBondContact O-N 3.04Å; V735-D738 PolarHBondContact O-N 2.87Å; V735-V739 HydrophobicContact CG1-CG2 4.29Å; V735-V739 WeakPolarHBondContact O-CB 3.45Å; V735-V739 VanDerWaalsContact O-CG2 3.27Å; V735-V739 WeakPolarHBondContact O-CG2 3.32Å; V735-V739 PolarHBondContact O-N 3.41Å
736T79.1Confident76.4Confident80 Ų80105.5 Ų105.549%0.49152%0.518SS..Hα-helixtrans-67.1-32.217754.60000112.7V732 H733 M734 S740V732-T736 HydrophobicContact CG1-CG2 4.4Å; V732-T736 WeakPolarHBondContact O-CG2 3.45Å; V732-T736 PolarHBondContact O-N 2.61Å; V732-T736 PolarHBondContact O-OG1 2.9Å; H733-T736 WeakPolarHBondContact CA-OG1 3.23Å; H733-T736 PolarHBondContact O-OG1 2.86Å; M734-T736 PolarHBondContact O-N 2.75Å; T736-S740 WeakPolarHBondContact O-CB 3.47Å; T736-S740 PolarHBondContact O-N 2.81Å
737R80.1Confident77.7Confident154 Ų154105.9 Ų105.958%0.58151%0.513SS*.Hα-helixtrans-65.4-48.9171.8-168.2-157.674.2129.63.6111.2H733 M734 V735 V739 S740 E741H733-R737 WeakPolarHBondContact O-CB 3.38Å; H733-R737 PolarHBondContact O-N 3.46Å; M734-R737 WeakPolarHBondContact O-CB 3.42Å; M734-R737 PolarHBondContact O-N 2.94Å; V735-R737 VanDerWaalsContact C-N 3.32Å; V735-R737 PolarHBondContact O-N 3.04Å; R737-V739 PolarHBondContact O-N 2.81Å; R737-S740 WeakPolarHBondContact O-CA 3.42Å; R737-S740 VanDerWaalsContact O-CB 3.25Å; R737-S740 WeakPolarHBondContact O-CB 3.37Å; R737-S740 PolarHBondContact O-N 2.88Å; R737-E741 PolarHBondContact O-N 2.89Å
738D80.9Confident78.9Confident54 Ų54102.5 Ų102.529%0.28950%0.504SS..Hα-helixtrans-69-37.4-175.4-59.2-19.3000111.4M734 V735 S740 E741 I742M734-D738 VanDerWaalsContact O-CG 3.22Å; M734-D738 PolarHBondContact O-N 3.44Å; V735-D738 PolarHBondContact O-N 2.87Å; D738-S740 VanDerWaalsContact C-N 3.33Å; D738-S740 PolarHBondContact O-N 3.03Å; D738-E741 PolarHBondContact O-N 2.83Å; D738-I742 WeakPolarHBondContact O-CG1 3.39Å; D738-I742 PolarHBondContact O-N 2.92Å; D738-I742 VanDerWaalsContact O-N 3.08Å
739V82.6Confident79.7Confident77 Ų77103.6 Ų103.647%0.46751%0.508SS..Hα-helixtrans-61.7-38.6168.4170.10000111.6V735 R737 E741 I742 V743V735-V739 HydrophobicContact CG1-CG2 4.29Å; V735-V739 WeakPolarHBondContact O-CB 3.45Å; V735-V739 VanDerWaalsContact O-CG2 3.27Å; V735-V739 WeakPolarHBondContact O-CG2 3.32Å; V735-V739 PolarHBondContact O-N 3.41Å; R737-V739 PolarHBondContact O-N 2.81Å; V739-E741 PolarHBondContact O-N 3.43Å; V739-I742 PolarHBondContact O-N 3.03Å; V739-V743 HydrophobicContact CG1-CG2 4.27Å; V739-V743 WeakPolarHBondContact O-CB 3.41Å; V739-V743 VanDerWaalsContact O-CG2 3.26Å; V739-V743 WeakPolarHBondContact O-CG2 3.48Å; V739-V743 PolarHBondContact O-N 3.34Å
740S80.9Confident80.6Confident53 Ų53103.7 Ų103.737%0.37151%0.506SS..Hα-helixtrans-62.3-42.2176.6-167.90000112.1T736 R737 D738 V743 K744T736-S740 WeakPolarHBondContact O-CB 3.47Å; T736-S740 PolarHBondContact O-N 2.81Å; R737-S740 WeakPolarHBondContact O-CA 3.42Å; R737-S740 VanDerWaalsContact O-CB 3.25Å; R737-S740 WeakPolarHBondContact O-CB 3.37Å; R737-S740 PolarHBondContact O-N 2.88Å; D738-S740 VanDerWaalsContact C-N 3.33Å; D738-S740 PolarHBondContact O-N 3.03Å; S740-V743 PolarHBondContact O-N 2.7Å; S740-K744 WeakPolarHBondContact O-CG 3.39Å; S740-K744 PolarHBondContact O-N 3.36Å
741E81.8Confident81.4Confident89 Ų89103.7 Ų103.742%0.41651%0.506SS..Hα-helixtrans-66.8-41.2175.8-58.6-46.8131.600112.4R737 D738 V739 V743 K744 G745R737-E741 PolarHBondContact O-N 2.89Å; D738-E741 PolarHBondContact O-N 2.83Å; V739-E741 PolarHBondContact O-N 3.43Å; E741-V743 VanDerWaalsContact C-N 3.32Å; E741-V743 PolarHBondContact O-N 3.36Å; E741-K744 WeakPolarHBondContact O-CB 3.49Å; E741-K744 PolarHBondContact O-N 3Å; E741-K744 IonicContact OE1-NZ 2.74Å; E741-K744 PolarHBondContact OE1-NZ 2.66Å; E741-K744 VanDerWaalsContact OE2-CD 3.26Å; E741-K744 WeakPolarHBondContact OE2-CD 3.43Å; E741-K744 IonicContact OE2-NZ 3.18Å; E741-K744 PolarHBondContact OE2-NZ 2.99Å; E741-G745 PolarHBondContact O-N 2.84Å
742I82.9Confident82Confident107 Ų10798.6 Ų98.655%0.54949%0.49SS..Hα-helixtrans-59.5-43.8173.4-67.3165.7000110.7D738 V739 K744 G745 I746D738-I742 WeakPolarHBondContact O-CG1 3.39Å; D738-I742 PolarHBondContact O-N 2.92Å; D738-I742 VanDerWaalsContact O-N 3.08Å; V739-I742 PolarHBondContact O-N 3.03Å; I742-K744 VanDerWaalsContact C-N 3.31Å; I742-K744 PolarHBondContact O-N 2.75Å; I742-G745 PolarHBondContact O-N 3.14Å; I742-G745 VanDerWaalsContact O-N 3.15Å; I742-I746 HydrophobicContact CG2-CD1 3.89Å; I742-I746 HydrophobicContact CG2-CG1 4.48Å; I742-I746 WeakPolarHBondContact O-CG1 3.14Å; I742-I746 PolarHBondContact O-N 2.83Å
743V84.3Confident82.4Confident62 Ų6299.2 Ų99.238%0.37649%0.492SS..Hα-helixtrans-71.6-22178.9172.90000112.8V739 S740 E741 R747V739-V743 HydrophobicContact CG1-CG2 4.27Å; V739-V743 WeakPolarHBondContact O-CB 3.41Å; V739-V743 VanDerWaalsContact O-CG2 3.26Å; V739-V743 WeakPolarHBondContact O-CG2 3.48Å; V739-V743 PolarHBondContact O-N 3.34Å; S740-V743 PolarHBondContact O-N 2.7Å; E741-V743 VanDerWaalsContact C-N 3.32Å; E741-V743 PolarHBondContact O-N 3.36Å; V743-R747 WeakPolarHBondContact O-CB 3.46Å; V743-R747 WeakPolarHBondContact O-CG 3.37Å; V743-R747 PolarHBondContact O-N 2.81Å; V743-R747 PolarHBondContact O-NE 3.3Å
744K84.9Confident83Confident103 Ų10396.9 Ų96.945%0.44848%0.481SS..Hα-helixtrans-72.5-45.5165.1-70.7168.8-171.9172.10111S740 E741 I742 I746 R747 F748S740-K744 WeakPolarHBondContact O-CG 3.39Å; S740-K744 PolarHBondContact O-N 3.36Å; E741-K744 WeakPolarHBondContact O-CB 3.49Å; E741-K744 PolarHBondContact O-N 3Å; E741-K744 IonicContact OE1-NZ 2.74Å; E741-K744 PolarHBondContact OE1-NZ 2.66Å; E741-K744 VanDerWaalsContact OE2-CD 3.26Å; E741-K744 WeakPolarHBondContact OE2-CD 3.43Å; E741-K744 IonicContact OE2-NZ 3.18Å; E741-K744 PolarHBondContact OE2-NZ 2.99Å; I742-K744 VanDerWaalsContact C-N 3.31Å; I742-K744 PolarHBondContact O-N 2.75Å; K744-I746 PolarHBondContact O-N 3.36Å; K744-R747 PolarHBondContact O-N 3.11Å; K744-F748 PolarHBondContact O-N 2.96Å
745G85Confident83.3Confident33 Ų3397.6 Ų97.634%0.3448%0.481SS..Hα-helixtrans-57.6-48.3177.800000112.7E741 I742 R747 F748 M749E741-G745 PolarHBondContact O-N 2.84Å; I742-G745 PolarHBondContact O-N 3.14Å; I742-G745 VanDerWaalsContact O-N 3.15Å; G745-R747 PolarHBondContact O-N 3.3Å; G745-F748 WeakPolarHBondContact O-CB 3.28Å; G745-F748 PolarHBondContact O-N 3.46Å; G745-M749 WeakPolarHBondContact O-CG 3.29Å; G745-M749 PolarHBondContact O-N 2.9Å
746I87.9Confident83.3Confident84 Ų8499.2 Ų99.243%0.43148%0.481SS..Hα-helixtrans-60.4-44.6176-66.9168.3000111.1I742 K744 F748 M749 Q750I742-I746 HydrophobicContact CG2-CD1 3.89Å; I742-I746 HydrophobicContact CG2-CG1 4.48Å; I742-I746 WeakPolarHBondContact O-CG1 3.14Å; I742-I746 PolarHBondContact O-N 2.83Å; K744-I746 PolarHBondContact O-N 3.36Å; I746-F748 VanDerWaalsContact C-N 3.32Å; I746-F748 PolarHBondContact O-N 2.9Å; I746-M749 WeakPolarHBondContact O-CB 3.37Å; I746-M749 PolarHBondContact O-N 2.63Å; I746-Q750 WeakPolarHBondContact O-CG 3.28Å; I746-Q750 PolarHBondContact O-N 3.48Å
747R85.9Confident83.5Confident146 Ų146100.6 Ų100.655%0.55148%0.481SS*.Hα-helixtrans-66.3-31.1177.1-77.2-174.9-74.5177.9-4.3113.3V743 K744 G745 K751V743-R747 WeakPolarHBondContact O-CB 3.46Å; V743-R747 WeakPolarHBondContact O-CG 3.37Å; V743-R747 PolarHBondContact O-N 2.81Å; V743-R747 PolarHBondContact O-NE 3.3Å; K744-R747 PolarHBondContact O-N 3.11Å; G745-R747 PolarHBondContact O-N 3.3Å; R747-K751 PolarHBondContact O-N 2.98Å; R747-K751 VanDerWaalsContact O-N 3.12Å
748F86.1Confident83.5Confident134 Ų13499 Ų9959%0.58848%0.479SS*.Hα-helixtrans-69-43.1171.1-176.8-97.6000111.5K744 G745 I746 K751 Q752K744-F748 PolarHBondContact O-N 2.96Å; G745-F748 WeakPolarHBondContact O-CB 3.28Å; G745-F748 PolarHBondContact O-N 3.46Å; I746-F748 VanDerWaalsContact C-N 3.32Å; I746-F748 PolarHBondContact O-N 2.9Å; F748-K751 PolarHBondContact O-N 3.05Å; F748-Q752 HydrophobicContact CD1-CG 4.06Å; F748-Q752 HydrophobicContact CE1-CG 3.8Å; F748-Q752 HydrophobicContact CZ-CG 4.22Å; F748-Q752 WeakPolarHBondContact O-CB 3.34Å; F748-Q752 WeakPolarHBondContact O-CG 3.42Å; F748-Q752 PolarHBondContact O-N 2.95Å
749M82.9Confident83.4Confident131 Ų13197.7 Ų97.765%0.64547%0.472SS*.Hα-helixtrans-61.2-41.9174.1-73.2166.953.600112.3G745 I746 Q752 N753G745-M749 WeakPolarHBondContact O-CG 3.29Å; G745-M749 PolarHBondContact O-N 2.9Å; I746-M749 WeakPolarHBondContact O-CB 3.37Å; I746-M749 PolarHBondContact O-N 2.63Å; M749-Q752 WeakPolarHBondContact O-CB 3.43Å; M749-Q752 PolarHBondContact O-N 2.76Å; M749-N753 PolarHBondContact O-N 3.06Å
750Q84.9Confident83.4Confident108 Ų10899 Ų9951%0.50548%0.476SS..Hα-helixtrans-60.7-48.9174.3-72.9174-51.500111.4I746 Q752 N753 E754I746-Q750 WeakPolarHBondContact O-CG 3.28Å; I746-Q750 PolarHBondContact O-N 3.48Å; Q750-Q752 VanDerWaalsContact C-N 3.29Å; Q750-Q752 PolarHBondContact O-N 3.28Å; Q750-N753 PolarHBondContact O-N 2.84Å; Q750-N753 VanDerWaalsContact O-N 3.1Å; Q750-E754 PolarHBondContact O-N 3.06Å
751K85.4Confident83.3Confident160 Ų160101.5 Ų101.570%0.69648%0.48SS*.Hα-helixtrans-60-35.9174.3-98.9-175.5171.6-178.20113.5R747 F748 K755R747-K751 PolarHBondContact O-N 2.98Å; R747-K751 VanDerWaalsContact O-N 3.12Å; F748-K751 PolarHBondContact O-N 3.05Å; K751-K755 WeakPolarHBondContact O-CB 3.39Å; K751-K755 PolarHBondContact O-N 3.23Å; K751-K755 VanDerWaalsContact O-N 3.16Å
752Q85.1Confident83.1Confident87 Ų8798.7 Ų98.741%0.40747%0.468SS..Hα-helixtrans-65.8-43.5173.1-76.4-81-1.100111.4F748 M749 Q750 K755 K756F748-Q752 HydrophobicContact CD1-CG 4.06Å; F748-Q752 HydrophobicContact CE1-CG 3.8Å; F748-Q752 HydrophobicContact CZ-CG 4.22Å; F748-Q752 WeakPolarHBondContact O-CB 3.34Å; F748-Q752 WeakPolarHBondContact O-CG 3.42Å; F748-Q752 PolarHBondContact O-N 2.95Å; M749-Q752 WeakPolarHBondContact O-CB 3.43Å; M749-Q752 PolarHBondContact O-N 2.76Å; Q750-Q752 VanDerWaalsContact C-N 3.29Å; Q750-Q752 PolarHBondContact O-N 3.28Å; Q752-K755 PolarHBondContact O-N 2.83Å; Q752-K756 WeakPolarHBondContact O-CG 3.39Å; Q752-K756 PolarHBondContact O-N 2.89Å
753N83.8Confident82.8Confident85 Ų8595.4 Ų95.446%0.45545%0.451SS..Hα-helixtrans-69-47.2-179.4-143.364.1000111.8M749 Q750 K755 K756 E757M749-N753 PolarHBondContact O-N 3.06Å; Q750-N753 PolarHBondContact O-N 2.84Å; Q750-N753 VanDerWaalsContact O-N 3.1Å; N753-K755 PolarHBondContact O-N 2.88Å; N753-K756 CarbonylContact O-C 3.55Å; N753-K756 WeakPolarHBondContact O-CA 3.4Å; N753-K756 WeakPolarHBondContact O-CB 3.48Å; N753-K756 PolarHBondContact O-N 3.44Å; N753-E757 PolarHBondContact ND2-OE1 2.85Å; N753-E757 WeakPolarHBondContact O-CG 3.2Å; N753-E757 PolarHBondContact O-N 2.83Å
754E83.2Confident82.5Confident85 Ų8594.4 Ų94.440%0.39745%0.447SS..Hα-helixtrans-53.5-40.6172.2-76.4-177.2-135.800112.1Q750 K758Q750-E754 PolarHBondContact O-N 3.06Å; E754-K758 WeakPolarHBondContact O-CB 3.49Å; E754-K758 VanDerWaalsContact O-CD 3.31Å; E754-K758 WeakPolarHBondContact O-CD 3.27Å; E754-K758 WeakPolarHBondContact O-CG 3.24Å; E754-K758 PolarHBondContact O-N 3.09Å; E754-K758 IonicContact OE2-NZ 2.66Å; E754-K758 PolarHBondContact OE2-NZ 2.83Å
755K80.6Confident82.2Confident131 Ų13191 Ų9157%0.5743%0.432SS*.Hα-helixtrans-69.3-37.8178.5-168.5172.5-175.9176.90111.5K751 Q752 N753 N759K751-K755 WeakPolarHBondContact O-CB 3.39Å; K751-K755 PolarHBondContact O-N 3.23Å; K751-K755 VanDerWaalsContact O-N 3.16Å; Q752-K755 PolarHBondContact O-N 2.83Å; N753-K755 PolarHBondContact O-N 2.88Å; K755-N759 WeakPolarHBondContact O-CB 3.49Å; K755-N759 PolarHBondContact O-N 3.48Å; K755-N759 PolarHBondContact O-ND2 3.1Å; K755-N759 PolarHBondContact O-OD1 3.18Å
756K80.7Confident81.9Confident120 Ų12090 Ų9052%0.52242%0.418SS..Hα-helixtrans-64.7-46.5172.1-73.1176.4177.8-175.30111.7Q752 N753 K758 N759 N760Q752-K756 WeakPolarHBondContact O-CG 3.39Å; Q752-K756 PolarHBondContact O-N 2.89Å; N753-K756 CarbonylContact O-C 3.55Å; N753-K756 WeakPolarHBondContact O-CA 3.4Å; N753-K756 WeakPolarHBondContact O-CB 3.48Å; N753-K756 PolarHBondContact O-N 3.44Å; K756-K758 PolarHBondContact O-N 2.79Å; K756-N759 PolarHBondContact O-N 3.37Å; K756-N760 WeakPolarHBondContact O-CB 3.23Å; K756-N760 PolarHBondContact O-N 2.99Å; K756-N760 PolarHBondContact O-OD1 2.93Å
757E83.7Confident81.4Confident109 Ų10991 Ų9151%0.50942%0.417SS..Hα-helixtrans-58.9-46.2176.6-71.5163.5-160.800111.7N753 N760 K761N753-E757 PolarHBondContact ND2-OE1 2.85Å; N753-E757 WeakPolarHBondContact O-CG 3.2Å; N753-E757 PolarHBondContact O-N 2.83Å; E757-N760 PolarHBondContact O-N 3.3Å; E757-K761 WeakPolarHBondContact O-CB 3.45Å; E757-K761 PolarHBondContact O-N 3.3Å
758K80.1Confident80.9Confident121 Ų12184.3 Ų84.353%0.52639%0.393SS..Hα-helixtrans-61.2-44175.7-72.6161.2-173.9162.80111.8E754 K756 K761 I762E754-K758 WeakPolarHBondContact O-CB 3.49Å; E754-K758 VanDerWaalsContact O-CD 3.31Å; E754-K758 WeakPolarHBondContact O-CD 3.27Å; E754-K758 WeakPolarHBondContact O-CG 3.24Å; E754-K758 PolarHBondContact O-N 3.09Å; E754-K758 IonicContact OE2-NZ 2.66Å; E754-K758 PolarHBondContact OE2-NZ 2.83Å; K756-K758 PolarHBondContact O-N 2.79Å; K758-K761 PolarHBondContact O-N 2.8Å; K758-I762 WeakPolarHBondContact O-CG1 3.49Å; K758-I762 PolarHBondContact O-N 2.98Å; K758-I762 VanDerWaalsContact O-N 3.11Å
759N79.3Confident80.5Confident26 Ų2678 Ų7814%0.13937%0.365CS..Hα-helixtrans-63-48.6175-64-18.8000111.9K755 K756 K761 I762 I763K755-N759 WeakPolarHBondContact O-CB 3.49Å; K755-N759 PolarHBondContact O-N 3.48Å; K755-N759 PolarHBondContact O-ND2 3.1Å; K755-N759 PolarHBondContact O-OD1 3.18Å; K756-N759 PolarHBondContact O-N 3.37Å; N759-K761 VanDerWaalsContact C-N 3.26Å; N759-K761 PolarHBondContact O-N 3.19Å; N759-I762 PolarHBondContact O-N 2.88Å; N759-I762 VanDerWaalsContact O-N 3.15Å; N759-I763 WeakPolarHBondContact O-CG1 3.45Å; N759-I763 PolarHBondContact O-N 3.12Å
760N81.3Confident80.3Confident106 Ų10672.1 Ų72.157%0.56734%0.338SS*.Hα-helixtrans-61.3-36.7180-70.43.3000111.3K756 E757 I763 S764K756-N760 WeakPolarHBondContact O-CB 3.23Å; K756-N760 PolarHBondContact O-N 2.99Å; K756-N760 PolarHBondContact O-OD1 2.93Å; E757-N760 PolarHBondContact O-N 3.3Å; N760-I763 PolarHBondContact O-N 2.82Å; N760-S764 WeakPolarHBondContact O-CB 3.35Å; N760-S764 PolarHBondContact O-N 2.85Å; N760-S764 PolarHBondContact O-OG 3Å
761K80.3Confident79.8Confident104 Ų10471.7 Ų71.745%0.45234%0.338SS..Hα-helixtrans-62.2-49173.1-173.7175.5-179.11740111.6E757 K758 N759 I763 S764 E765E757-K761 WeakPolarHBondContact O-CB 3.45Å; E757-K761 PolarHBondContact O-N 3.3Å; K758-K761 PolarHBondContact O-N 2.8Å; N759-K761 VanDerWaalsContact C-N 3.26Å; N759-K761 PolarHBondContact O-N 3.19Å; K761-I763 VanDerWaalsContact C-N 3.33Å; K761-I763 PolarHBondContact O-N 3.13Å; K761-S764 WeakPolarHBondContact CA-OG 3.25Å; K761-S764 PolarHBondContact O-N 3.48Å; K761-S764 VanDerWaalsContact O-N 3.13Å; K761-S764 PolarHBondContact O-OG 3.21Å; K761-E765 VanDerWaalsContact CE-OE1 3.25Å; K761-E765 WeakPolarHBondContact CE-OE1 3.44Å; K761-E765 PolarHBondContact O-N 2.89Å
762I77.6Confident79.5Confident31 Ų3164.3 Ų64.316%0.15931%0.306CS..Hα-helixtrans-56.9-47.1176.9-68.8165.2000110.6T343 E344 K758 N759 S764 E765 W766T343-I762 WeakPolarHBondContact O-CG2 3.47Å; E344-I762 HydrophobicContact CG-CD1 4.25Å; K758-I762 WeakPolarHBondContact O-CG1 3.49Å; K758-I762 PolarHBondContact O-N 2.98Å; K758-I762 VanDerWaalsContact O-N 3.11Å; N759-I762 PolarHBondContact O-N 2.88Å; N759-I762 VanDerWaalsContact O-N 3.15Å; I762-S764 VanDerWaalsContact C-N 3.34Å; I762-S764 PolarHBondContact O-N 3.37Å; I762-E765 PolarHBondContact O-N 3.05Å; I762-W766 VanDerWaalsContact O-CD1 3.27Å; I762-W766 PolarHBondContact O-N 3.39Å
763I76.5Confident79.3Confident38 Ų3861.3 Ų61.320%0.19529%0.292CS..Hα-helixtrans-60.5-42.1176.9-65164.9000111.1N759 N760 K761 E765 W766 R767N759-I763 WeakPolarHBondContact O-CG1 3.45Å; N759-I763 PolarHBondContact O-N 3.12Å; N760-I763 PolarHBondContact O-N 2.82Å; K761-I763 VanDerWaalsContact C-N 3.33Å; K761-I763 PolarHBondContact O-N 3.13Å; I763-E765 PolarHBondContact O-N 2.98Å; I763-W766 PolarHBondContact O-N 2.58Å; I763-R767 WeakPolarHBondContact O-CG 3.18Å; I763-R767 PolarHBondContact O-N 2.98Å
764S77Confident79.2Confident40 Ų4057.9 Ų57.928%0.2827%0.274SS..Hα-helixtrans-65.4-36.1177.374.70000113.4N760 K761 I762 R767 A768N760-S764 WeakPolarHBondContact O-CB 3.35Å; N760-S764 PolarHBondContact O-N 2.85Å; N760-S764 PolarHBondContact O-OG 3Å; K761-S764 WeakPolarHBondContact CA-OG 3.25Å; K761-S764 PolarHBondContact O-N 3.48Å; K761-S764 VanDerWaalsContact O-N 3.13Å; K761-S764 PolarHBondContact O-OG 3.21Å; I762-S764 VanDerWaalsContact C-N 3.34Å; I762-S764 PolarHBondContact O-N 3.37Å; S764-R767 PolarHBondContact O-N 3.37Å; S764-A768 WeakPolarHBondContact O-CB 3.45Å; S764-A768 PolarHBondContact O-N 3.21Å
765E78.8Confident79Confident31 Ų3160.7 Ų60.715%0.14528%0.281CS..Hα-helixtrans-69.3-39.8175.7-69.5-170.1-163.300111.1V345 R350 K761 I762 I763 A768 V769V345-E765 HydrophobicContact CG2-CB 3.99Å; R350-E765 IonicContact CZ-OE1 3.19Å; R350-E765 IonicContact CZ-OE2 2.83Å; R350-E765 VanDerWaalsContact CZ-OE2 3.25Å; R350-E765 IonicContact NE-OE1 2.77Å; R350-E765 IonicContact NE-OE2 3.89Å; R350-E765 PolarHBondContact NE-OE2 2.93Å; R350-E765 VanDerWaalsContact NH2-CD 3.27Å; R350-E765 IonicContact NH2-OE1 2.76Å; R350-E765 PolarHBondContact NH2-OE1 3Å; R350-E765 IonicContact NH2-OE2 3.43Å; R350-E765 PolarHBondContact NH2-OE2 3.05Å; K761-E765 VanDerWaalsContact CE-OE1 3.25Å; K761-E765 WeakPolarHBondContact CE-OE1 3.44Å; K761-E765 PolarHBondContact O-N 2.89Å; I762-E765 PolarHBondContact O-N 3.05Å; I763-E765 PolarHBondContact O-N 2.98Å; E765-A768 PolarHBondContact O-N 2.92Å; E765-V769 VanDerWaalsContact O-CG2 3.29Å; E765-V769 WeakPolarHBondContact O-CG2 3.43Å; E765-V769 PolarHBondContact O-N 3.1Å
766W79.6Confident79Confident12 Ų1258 Ų585%0.04527%0.273CS..Hα-helixtrans-65.6-39.5173.3-80.6106.3000113.3L335 G339 T343 V345 L349 I762 I763 V769 G770L335-W766 HydrophobicContact CB-CE3 4.24Å; L335-W766 HydrophobicContact CB-CZ3 3.98Å; L335-W766 HydrophobicContact CD2-CH2 4.35Å; L335-W766 HydrophobicContact CD2-CZ3 3.95Å; L335-W766 HydrophobicContact CG-CZ3 4.41Å; G339-W766 VanDerWaalsContact CA-CG 3.46Å; T343-W766 PolarHBondContact O-NE1 3.41Å; V345-W766 HydrophobicContact CB-CZ2 4.46Å; V345-W766 HydrophobicContact CG2-CD2 3.94Å; V345-W766 HydrophobicContact CG2-CG 4.03Å; V345-W766 HydrophobicContact CG2-CZ2 4.29Å; L349-W766 HydrophobicContact CD2-CH2 4.04Å; L349-W766 HydrophobicContact CD2-CZ3 3.78Å; I762-W766 VanDerWaalsContact O-CD1 3.27Å; I762-W766 PolarHBondContact O-N 3.39Å; I763-W766 PolarHBondContact O-N 2.58Å; W766-V769 PolarHBondContact O-N 2.82Å; W766-G770 PolarHBondContact O-N 2.85Å
767R76.1Confident79.1Confident107 Ų10754 Ų5440%0.40426%0.255SS..Hα-helixtrans-61.4-43.7172-76.3-179.4165.8160.73.7112.2E275 H336 I763 S764 G770 M771E275-R767 VanDerWaalsContact OE1-CD 3.31Å; E275-R767 WeakPolarHBondContact OE1-CD 3.46Å; E275-R767 WeakPolarHBondContact OE1-CG 3.38Å; E275-R767 IonicContact OE1-CZ 3.42Å; E275-R767 IonicContact OE1-NE 3.68Å; E275-R767 PolarHBondContact OE1-NE 3.27Å; E275-R767 IonicContact OE1-NH2 3.51Å; E275-R767 IonicContact OE2-NE 3.82Å; E275-R767 IonicContact OE2-NH2 3.1Å; H336-R767 WeakPolarHBondContact NE2-CG 3.36Å; H336-R767 PolarHBondContact NE2-NE 3.22Å; I763-R767 WeakPolarHBondContact O-CG 3.18Å; I763-R767 PolarHBondContact O-N 2.98Å; S764-R767 PolarHBondContact O-N 3.37Å; R767-G770 PolarHBondContact O-N 2.84Å; R767-M771 WeakPolarHBondContact O-CG 3.28Å; R767-M771 PolarHBondContact O-N 2.85Å
768A75.9Confident79.1Confident5 Ų551 Ų514%0.04124%0.24CC..Hα-helixtrans-61.9-42.4175.700000112L354 V365 S764 E765 V772L354-A768 HydrophobicContact CD2-CB 4.16Å; V365-A768 HydrophobicContact CG1-CB 3.88Å; V365-A768 HydrophobicContact CG2-CB 4.25Å; S764-A768 WeakPolarHBondContact O-CB 3.45Å; S764-A768 PolarHBondContact O-N 3.21Å; E765-A768 PolarHBondContact O-N 2.92Å; A768-V772 WeakPolarHBondContact O-CB 3.29Å; A768-V772 VanDerWaalsContact O-CG2 3.3Å; A768-V772 WeakPolarHBondContact O-CG2 3.11Å; A768-V772 PolarHBondContact O-N 3.29Å
769V78.8Confident79.2Confident0 Ų049.1 Ų49.10%024%0.235CC..Hα-helixtrans-59.8-46.3172.8170.80000111.2V345 L349 A353 E765 W766 V772 L773V345-V769 HydrophobicContact CG1-CG2 4.15Å; L349-V769 HydrophobicContact CD1-CG1 4.09Å; L349-V769 HydrophobicContact CD2-CG1 4.04Å; L349-V769 HydrophobicContact CG-CG1 4Å; A353-V769 HydrophobicContact CB-CB 4.36Å; A353-V769 HydrophobicContact CB-CG1 4.34Å; A353-V769 HydrophobicContact CB-CG2 3.88Å; E765-V769 VanDerWaalsContact O-CG2 3.29Å; E765-V769 WeakPolarHBondContact O-CG2 3.43Å; E765-V769 PolarHBondContact O-N 3.1Å; W766-V769 PolarHBondContact O-N 2.82Å; V769-V772 PolarHBondContact O-N 2.77Å; V769-L773 HydrophobicContact CG1-CD1 3.88Å; V769-L773 HydrophobicContact CG1-CG 4.38Å; V769-L773 WeakPolarHBondContact O-CG 3.32Å; V769-L773 PolarHBondContact O-N 3.05Å
770G78Confident79.4Confident9 Ų952.5 Ų52.59%0.09325%0.252CS..Hα-helixtrans-60.1-48.2178.900000113.3W766 R767 V772 L773 D774W766-G770 PolarHBondContact O-N 2.85Å; R767-G770 PolarHBondContact O-N 2.84Å; G770-V772 VanDerWaalsContact C-N 3.33Å; G770-V772 PolarHBondContact O-N 3.13Å; G770-L773 PolarHBondContact O-N 3.29Å; G770-D774 WeakPolarHBondContact O-CB 3.42Å; G770-D774 PolarHBondContact O-N 3.49Å
771M75.1Confident79.7Confident99 Ų9947.9 Ų47.949%0.48823%0.227SC..Hα-helixtrans-63.8-35.7176.8-68.8-175.6-68.700113R767 R775R767-M771 WeakPolarHBondContact O-CG 3.28Å; R767-M771 PolarHBondContact O-N 2.85Å; M771-R775 PolarHBondContact O-N 2.78Å; M771-R775 VanDerWaalsContact O-N 3.14Å
772V79.1Confident79.9Confident4 Ų446.8 Ų46.82%0.02423%0.226CC..Hα-helixtrans-69.2-41.1176.31620000111.5A353 L361 A768 V769 G770 L776A353-V772 HydrophobicContact CB-CB 4.41Å; A353-V772 HydrophobicContact CB-CG1 3.92Å; L361-V772 HydrophobicContact CD1-CG1 4.1Å; L361-V772 WeakPolarHBondContact CD1-O 3.15Å; A768-V772 WeakPolarHBondContact O-CB 3.29Å; A768-V772 VanDerWaalsContact O-CG2 3.3Å; A768-V772 WeakPolarHBondContact O-CG2 3.11Å; A768-V772 PolarHBondContact O-N 3.29Å; V769-V772 PolarHBondContact O-N 2.77Å; G770-V772 VanDerWaalsContact C-N 3.33Å; G770-V772 PolarHBondContact O-N 3.13Å; V772-L776 WeakPolarHBondContact O-CB 3.42Å; V772-L776 PolarHBondContact O-N 3.27Å
773L80Confident80.3Confident25 Ų2548.5 Ų48.513%0.13124%0.24CC..Hα-helixtrans-65.8-45.6175.5-71.9172.1000111.7V332 L335 V769 G770 R775 L776 F777V332-L773 HydrophobicContact CG2-CB 4.12Å; L335-L773 HydrophobicContact CD1-CD1 3.94Å; V769-L773 HydrophobicContact CG1-CD1 3.88Å; V769-L773 HydrophobicContact CG1-CG 4.38Å; V769-L773 WeakPolarHBondContact O-CG 3.32Å; V769-L773 PolarHBondContact O-N 3.05Å; G770-L773 PolarHBondContact O-N 3.29Å; L773-R775 VanDerWaalsContact C-N 3.34Å; L773-R775 PolarHBondContact O-N 2.84Å; L773-L776 WeakPolarHBondContact O-CB 3.38Å; L773-L776 PolarHBondContact O-N 3.42Å; L773-L776 VanDerWaalsContact O-N 3.1Å; L773-F777 HydrophobicContact CB-CE2 3.95Å; L773-F777 HydrophobicContact CB-CZ 4.29Å; L773-F777 HydrophobicContact CD2-CZ 4.31Å; L773-F777 WeakPolarHBondContact O-CD2 3.28Å; L773-F777 WeakPolarHBondContact O-CG 3.5Å; L773-F777 PolarHBondContact O-N 2.93Å
774D80.7Confident80.8Confident12 Ų1248 Ų486%0.06424%0.241CC..Hα-helixtrans-60.8-41179.1-164.427.8000112P274 K279 G770 F777 F778P274-D774 WeakPolarHBondContact CD-OD2 3.24Å; P274-D774 HydrophobicContact CG-CB 4.46Å; K279-D774 IonicContact NZ-OD1 3.11Å; K279-D774 PolarHBondContact NZ-OD1 2.98Å; K279-D774 IonicContact NZ-OD2 2.78Å; K279-D774 PolarHBondContact NZ-OD2 3.26Å; G770-D774 WeakPolarHBondContact O-CB 3.42Å; G770-D774 PolarHBondContact O-N 3.49Å; D774-F777 PolarHBondContact O-N 3.23Å; D774-F778 PolarHBondContact O-N 2.95Å
775R79.9Confident81.2Confident144 Ų14446.9 Ų46.954%0.54323%0.232SC..Hα-helixtrans-70.5-29.9173-77.8-165.4171.1-144.7-5.9114.3L361 M771 L773 I779L361-R775 HydrophobicContact CD1-CB 3.99Å; L361-R775 HydrophobicContact CD2-CB 4.41Å; M771-R775 PolarHBondContact O-N 2.78Å; M771-R775 VanDerWaalsContact O-N 3.14Å; L773-R775 VanDerWaalsContact C-N 3.34Å; L773-R775 PolarHBondContact O-N 2.84Å; R775-I779 PolarHBondContact O-N 3.25Å
776L81.2Confident81.5Confident76 Ų7646.7 Ų46.740%0.39824%0.239SC..Hα-helixtrans-66.6-45171.3-179.265.2000110.6L361 V772 L773 F778 I779 I780L361-L776 HydrophobicContact CD1-CB 4.44Å; V772-L776 WeakPolarHBondContact O-CB 3.42Å; V772-L776 PolarHBondContact O-N 3.27Å; L773-L776 WeakPolarHBondContact O-CB 3.38Å; L773-L776 PolarHBondContact O-N 3.42Å; L773-L776 VanDerWaalsContact O-N 3.1Å; L776-F778 VanDerWaalsContact C-N 3.33Å; L776-F778 PolarHBondContact O-N 3.28Å; L776-I779 PolarHBondContact O-N 2.86Å; L776-I780 HydrophobicContact CD1-CD1 4.46Å; L776-I780 HydrophobicContact CG-CD1 4.1Å; L776-I780 WeakPolarHBondContact O-CG1 3.28Å; L776-I780 PolarHBondContact O-N 3.38Å; L776-I780 VanDerWaalsContact O-N 3.11Å
777F82.4Confident81.8Confident35 Ų3550.8 Ų50.815%0.15426%0.261CS..Hα-helixtrans-65.3-35176.8-57.3-35.5000112.2F270 L328 V332 L773 D774 I779 I780 Y781F270-F777 HydrophobicContact CE1-CB 3.97Å; L328-F777 HydrophobicContact CB-CD2 3.91Å; L328-F777 HydrophobicContact CB-CE2 3.89Å; L328-F777 HydrophobicContact CB-CG 4.37Å; L328-F777 HydrophobicContact CB-CZ 4.33Å; L328-F777 HydrophobicContact CD1-CD1 3.84Å; L328-F777 HydrophobicContact CD1-CD2 4.38Å; L328-F777 HydrophobicContact CD1-CE1 4.09Å; L328-F777 HydrophobicContact CD1-CG 4.01Å; L328-F777 HydrophobicContact CD1-CZ 4.48Å; L328-F777 HydrophobicContact CD2-CE1 3.98Å; L328-F777 HydrophobicContact CD2-CE2 4.25Å; L328-F777 HydrophobicContact CD2-CZ 3.82Å; L328-F777 HydrophobicContact CG-CE1 4.5Å; L328-F777 HydrophobicContact CG-CE2 4.47Å; L328-F777 HydrophobicContact CG-CZ 4.43Å; V332-F777 HydrophobicContact CG2-CD2 4.4Å; V332-F777 HydrophobicContact CG2-CE2 3.83Å; L773-F777 HydrophobicContact CB-CE2 3.95Å; L773-F777 HydrophobicContact CB-CZ 4.29Å; L773-F777 HydrophobicContact CD2-CZ 4.31Å; L773-F777 WeakPolarHBondContact O-CD2 3.28Å; L773-F777 WeakPolarHBondContact O-CG 3.5Å; L773-F777 PolarHBondContact O-N 2.93Å; D774-F777 PolarHBondContact O-N 3.23Å; F777-I779 PolarHBondContact O-N 2.75Å; F777-I780 HydrophobicContact CD1-CD1 4.45Å; F777-I780 PolarHBondContact O-N 2.77Å; F777-Y781 VanDerWaalsContact O-CB 3.25Å; F777-Y781 WeakPolarHBondContact O-CB 3.42Å; F777-Y781 PolarHBondContact O-N 2.66Å
778F83.5Confident82.2Confident46 Ų4645.9 Ų45.920%0.20224%0.242CC..Hα-helixtrans-58.1-46.4171.7177.8-124.3000112.9L267 F270 D774 L776 Y781 L782L267-F778 HydrophobicContact CD2-CE2 4.14Å; F270-F778 HydrophobicContact CB-CB 3.79Å; F270-F778 HydrophobicContact CB-CD2 3.3Å; F270-F778 HydrophobicContact CB-CE2 4.11Å; F270-F778 HydrophobicContact CB-CG 3.77Å; F270-F778 HydrophobicContact CD1-CB 3.82Å; F270-F778 HydrophobicContact CD1-CD2 4.41Å; F270-F778 AromaticContact CD2-CD2 3.84Å; F270-F778 HydrophobicContact CD2-CD2 3.84Å; F270-F778 HydrophobicContact CG-CB 3.87Å; F270-F778 AromaticContact CG-CD2 3.62Å; F270-F778 HydrophobicContact CG-CD2 3.62Å; F270-F778 HydrophobicContact CG-CG 4.17Å; D774-F778 PolarHBondContact O-N 2.95Å; L776-F778 VanDerWaalsContact C-N 3.33Å; L776-F778 PolarHBondContact O-N 3.28Å; F778-Y781 PolarHBondContact O-N 3.4Å; F778-L782 HydrophobicContact CE1-CD1 4.22Å; F778-L782 HydrophobicContact CE2-CD1 4.22Å; F778-L782 HydrophobicContact CZ-CD1 3.74Å; F778-L782 VanDerWaalsContact O-CB 3.28Å; F778-L782 WeakPolarHBondContact O-CB 3.31Å; F778-L782 PolarHBondContact O-N 3.35Å
779I81.9Confident82.6Confident81 Ų8148.2 Ų48.242%0.41525%0.254SS..Hα-helixtrans-66-43.9179.3-66.2179.6000110.5L361 R775 L776 F777 Y781 L782 C783L361-I779 HydrophobicContact CD2-CD1 3.44Å; L361-I779 VanDerWaalsContact CD2-CD1 3.44Å; L361-I779 HydrophobicContact CD2-CG1 4.5Å; R775-I779 PolarHBondContact O-N 3.25Å; L776-I779 PolarHBondContact O-N 2.86Å; F777-I779 PolarHBondContact O-N 2.75Å; I779-Y781 VanDerWaalsContact C-N 3.32Å; I779-Y781 PolarHBondContact O-N 2.86Å; I779-L782 PolarHBondContact O-N 2.85Å; I779-C783 WeakPolarHBondContact O-CB 3.5Å; I779-C783 PolarHBondContact O-N 2.94Å; I779-C783 PolarHBondContact O-SG 2.86Å; I779-C783 VanDerWaalsContact O-SG 3.33Å
780I84.6Confident82.7Confident98 Ų9855 Ų5550%0.50329%0.289SS..Hα-helixtrans-59.1-44.8176.2-66.3166.4000110.6L776 F777 C783 A784L776-I780 HydrophobicContact CD1-CD1 4.46Å; L776-I780 HydrophobicContact CG-CD1 4.1Å; L776-I780 WeakPolarHBondContact O-CG1 3.28Å; L776-I780 PolarHBondContact O-N 3.38Å; L776-I780 VanDerWaalsContact O-N 3.11Å; F777-I780 HydrophobicContact CD1-CD1 4.45Å; F777-I780 PolarHBondContact O-N 2.77Å; I780-C783 PolarHBondContact O-N 2.87Å; I780-A784 WeakPolarHBondContact O-CB 3.21Å; I780-A784 PolarHBondContact O-N 2.81Å
781Y86.5Confident82.9Confident9 Ų960 Ų604%0.03531%0.313CS..Hα-helixtrans-64.9-44.5177.7-176.2-86.8000112.3T266 F270 L321 F777 F778 I779 C783 A784 L785T266-Y781 WeakPolarHBondContact CB-OH 3.29Å; T266-Y781 VanDerWaalsContact CG2-OH 3.3Å; T266-Y781 WeakPolarHBondContact CG2-OH 3.49Å; T266-Y781 WeakPolarHBondContact OG1-CE1 3.39Å; T266-Y781 PolarHBondContact OG1-OH 3.49Å; F270-Y781 HydrophobicContact CD2-CD1 4.17Å; F270-Y781 HydrophobicContact CD2-CG 4.33Å; F270-Y781 AromaticContact CE2-CD1 3.5Å; F270-Y781 HydrophobicContact CE2-CD1 3.5Å; F270-Y781 AromaticContact CE2-CD2 3.72Å; F270-Y781 HydrophobicContact CE2-CD2 3.72Å; F270-Y781 HydrophobicContact CE2-CE1 4.11Å; F270-Y781 HydrophobicContact CE2-CE2 4.29Å; F270-Y781 AromaticContact CE2-CG 3.31Å; F270-Y781 HydrophobicContact CE2-CG 3.31Å; F270-Y781 HydrophobicContact CZ-CD1 4.28Å; F270-Y781 AromaticContact CZ-CD2 3.86Å; F270-Y781 HydrophobicContact CZ-CD2 3.86Å; F270-Y781 AromaticContact CZ-CG 3.63Å; F270-Y781 HydrophobicContact CZ-CG 3.63Å; L321-Y781 HydrophobicContact CB-CD2 4.11Å; L321-Y781 HydrophobicContact CB-CE2 3.63Å; F777-Y781 VanDerWaalsContact O-CB 3.25Å; F777-Y781 WeakPolarHBondContact O-CB 3.42Å; F777-Y781 PolarHBondContact O-N 2.66Å; F778-Y781 PolarHBondContact O-N 3.4Å; I779-Y781 VanDerWaalsContact C-N 3.32Å; I779-Y781 PolarHBondContact O-N 2.86Å; Y781-C783 PolarHBondContact O-N 3.48Å; Y781-A784 PolarHBondContact O-N 3.44Å; Y781-L785 HydrophobicContact CE1-CB 4.3Å; Y781-L785 HydrophobicContact CE1-CD1 3.76Å; Y781-L785 VanDerWaalsContact O-CB 3.31Å; Y781-L785 WeakPolarHBondContact O-CB 3.29Å; Y781-L785 PolarHBondContact O-N 2.8Å
782L85.1Confident83.1Confident80 Ų8057.9 Ų57.942%0.41930%0.3SS..Hα-helixtrans-64.3-40.4178.3-174.5152.6000111.5F778 I779 G786F778-L782 HydrophobicContact CE1-CD1 4.22Å; F778-L782 HydrophobicContact CE2-CD1 4.22Å; F778-L782 HydrophobicContact CZ-CD1 3.74Å; F778-L782 VanDerWaalsContact O-CB 3.28Å; F778-L782 WeakPolarHBondContact O-CB 3.31Å; F778-L782 PolarHBondContact O-N 3.35Å; I779-L782 PolarHBondContact O-N 2.85Å; L782-G786 PolarHBondContact O-N 3.32Å
783C86.2Confident82.8Confident67 Ų6760.6 Ų60.645%0.45331%0.312SS..Hα-helixtrans-62.9-46.2171.9-71.30000111.6I779 I780 Y781 G786 I787I779-C783 WeakPolarHBondContact O-CB 3.5Å; I779-C783 PolarHBondContact O-N 2.94Å; I779-C783 PolarHBondContact O-SG 2.86Å; I779-C783 VanDerWaalsContact O-SG 3.33Å; I780-C783 PolarHBondContact O-N 2.87Å; Y781-C783 PolarHBondContact O-N 3.48Å; C783-G786 PolarHBondContact O-N 3.05Å; C783-I787 WeakPolarHBondContact O-CB 3.39Å; C783-I787 WeakPolarHBondContact O-CD1 3.49Å; C783-I787 VanDerWaalsContact O-CG1 3.25Å; C783-I787 WeakPolarHBondContact O-CG1 3.28Å; C783-I787 PolarHBondContact O-N 3.23Å
784A86.7Confident81.9Confident28 Ų2862.8 Ų62.823%0.23133%0.327CS..Hα-helixtrans-64.5-40.9179.100000112.8L321 I780 Y781 I787 S788L321-A784 HydrophobicContact CD1-CB 3.95Å; L321-A784 HydrophobicContact CD2-CB 3.68Å; I780-A784 WeakPolarHBondContact O-CB 3.21Å; I780-A784 PolarHBondContact O-N 2.81Å; Y781-A784 PolarHBondContact O-N 3.44Å; A784-I787 PolarHBondContact O-N 2.86Å; A784-S788 VanDerWaalsContact O-CB 3.31Å; A784-S788 WeakPolarHBondContact O-CB 3.25Å; A784-S788 PolarHBondContact O-N 3Å
785L85.7Confident80.7Confident16 Ų1673.3 Ų73.38%0.08437%0.366CS..Hα-helixtrans-67.8-39.4175.5-179.6142.1000111.6Y781 S788 I789Y781-L785 HydrophobicContact CE1-CB 4.3Å; Y781-L785 HydrophobicContact CE1-CD1 3.76Å; Y781-L785 VanDerWaalsContact O-CB 3.31Å; Y781-L785 WeakPolarHBondContact O-CB 3.29Å; Y781-L785 PolarHBondContact O-N 2.8Å; L785-S788 PolarHBondContact O-N 3.31Å; L785-I789 HydrophobicContact CD2-CD1 3.63Å; L785-I789 HydrophobicContact CG-CD1 4.29Å; L785-I789 WeakPolarHBondContact O-CG1 3.36Å; L785-I789 PolarHBondContact O-N 3.33Å
786G85.1Confident79.4Confident28 Ų2872.5 Ų72.529%0.28938%0.382SS..Hα-helixtrans-62.5-44.8172.900000112.9L782 C783 I789 L790L782-G786 PolarHBondContact O-N 3.32Å; C783-G786 PolarHBondContact O-N 3.05Å; G786-I789 PolarHBondContact O-N 2.84Å; G786-L790 WeakPolarHBondContact O-CG 3.41Å; G786-L790 PolarHBondContact O-N 2.76Å
787I85.5Confident77.7Confident98 Ų9871.8 Ų71.850%0.50339%0.393SS..Hα-helixtrans-62-44.3173.8-69.1163000110.6C783 A784 I789 L790 L791C783-I787 WeakPolarHBondContact O-CB 3.39Å; C783-I787 WeakPolarHBondContact O-CD1 3.49Å; C783-I787 VanDerWaalsContact O-CG1 3.25Å; C783-I787 WeakPolarHBondContact O-CG1 3.28Å; C783-I787 PolarHBondContact O-N 3.23Å; A784-I787 PolarHBondContact O-N 2.86Å; I787-I789 PolarHBondContact O-N 2.89Å; I787-L790 PolarHBondContact O-N 3.12Å; I787-L791 HydrophobicContact CG2-CD1 3.7Å; I787-L791 HydrophobicContact CG2-CG 4.25Å; I787-L791 WeakPolarHBondContact O-CB 3.39Å; I787-L791 WeakPolarHBondContact O-CG 3.47Å; I787-L791 PolarHBondContact O-N 2.93Å
788S84.8Confident75.8Confident3 Ų378.6 Ų78.62%0.02143%0.426CS..Hα-helixtrans-60.9-43.4177.5-176.60000112.2Y314 A784 L785 L790 L791 Y792Y314-S788 VanDerWaalsContact CD2-OG 3.24Å; Y314-S788 WeakPolarHBondContact CD2-OG 3.34Å; Y314-S788 WeakPolarHBondContact CE2-OG 3.03Å; A784-S788 VanDerWaalsContact O-CB 3.31Å; A784-S788 WeakPolarHBondContact O-CB 3.25Å; A784-S788 PolarHBondContact O-N 3Å; L785-S788 PolarHBondContact O-N 3.31Å; S788-L790 PolarHBondContact O-N 3.31Å; S788-L791 PolarHBondContact O-N 3Å; S788-Y792 WeakPolarHBondContact O-CD2 3.48Å; S788-Y792 PolarHBondContact O-N 2.87Å; S788-Y792 VanDerWaalsContact O-N 3.1Å
789I83.2Confident73.9Confident55 Ų5582.5 Ų82.528%0.28245%0.449SS..Hα-helixtrans-62.4-45.1175.3-69.4168.9000110.8Y314 L785 G786 I787 L791 F793Y314-I789 HydrophobicContact CE2-CG1 3.9Å; L785-I789 HydrophobicContact CD2-CD1 3.63Å; L785-I789 HydrophobicContact CG-CD1 4.29Å; L785-I789 WeakPolarHBondContact O-CG1 3.36Å; L785-I789 PolarHBondContact O-N 3.33Å; G786-I789 PolarHBondContact O-N 2.84Å; I787-I789 PolarHBondContact O-N 2.89Å; I789-L791 VanDerWaalsContact C-N 3.34Å; I789-L791 PolarHBondContact O-N 2.88Å; I789-F793 HydrophobicContact CG2-CD2 4.22Å; I789-F793 WeakPolarHBondContact O-CB 3.37Å; I789-F793 PolarHBondContact O-N 3.03Å
790L82.5Confident71.9Confident143 Ų14383.4 Ų83.475%0.74946%0.462SS*.Hα-helixtrans-66.1-30.9-179.7-71.9169.9000114G786 I787 S788G786-L790 WeakPolarHBondContact O-CG 3.41Å; G786-L790 PolarHBondContact O-N 2.76Å; I787-L790 PolarHBondContact O-N 3.12Å; S788-L790 PolarHBondContact O-N 3.31Å
791L81.7Confident69.5Low112 Ų11287.1 Ų87.159%0.58648%0.477SS*.Hα-helixtrans-82.1-35.1179.4-71.2174.3000113.5I787 S788 I789I787-L791 HydrophobicContact CG2-CD1 3.7Å; I787-L791 HydrophobicContact CG2-CG 4.25Å; I787-L791 WeakPolarHBondContact O-CB 3.39Å; I787-L791 WeakPolarHBondContact O-CG 3.47Å; I787-L791 PolarHBondContact O-N 2.93Å; S788-L791 PolarHBondContact O-N 3Å; I789-L791 VanDerWaalsContact C-N 3.34Å; I789-L791 PolarHBondContact O-N 2.88Å
792Y78.2Confident67Low55 Ų5593.9 Ų93.922%0.21651%0.509CS..Hα-helixtrans-107.3-10.5-170-67.6-80.8000115L310 N313 I317 S788 P794L310-Y792 HydrophobicContact CB-CD1 4.14Å; L310-Y792 HydrophobicContact CD2-CD1 3.72Å; L310-Y792 HydrophobicContact CD2-CE1 3.95Å; L310-Y792 VanDerWaalsContact O-CD1 3.31Å; L310-Y792 WeakPolarHBondContact O-CD1 3.33Å; N313-Y792 HydrophobicContact CB-CD1 3.89Å; N313-Y792 HydrophobicContact CB-CE1 3.36Å; I317-Y792 HydrophobicContact CD1-CD2 4.19Å; I317-Y792 HydrophobicContact CD1-CE2 3.29Å; I317-Y792 WeakPolarHBondContact CD1-OH 3.44Å; S788-Y792 WeakPolarHBondContact O-CD2 3.48Å; S788-Y792 PolarHBondContact O-N 2.87Å; S788-Y792 VanDerWaalsContact O-N 3.1Å; Y792-P794 WeakPolarHBondContact O-CD 3.48Å
793F73.1Confident64.4Low61 Ų6195.5 Ų95.527%0.26852%0.523SS..SBendtrans-108.475.4164.6-66.8-89.1000109.8I256 F260 I311 Y314 I789I256-F793 HydrophobicContact CG2-CE1 4.09Å; F260-F793 HydrophobicContact CE1-CE2 4.41Å; F260-F793 HydrophobicContact CE1-CZ 4.27Å; F260-F793 HydrophobicContact CE2-CE1 4.19Å; F260-F793 HydrophobicContact CE2-CZ 4.35Å; F260-F793 HydrophobicContact CZ-CD1 4.28Å; F260-F793 AromaticContact CZ-CE1 3.82Å; F260-F793 HydrophobicContact CZ-CE1 3.82Å; F260-F793 HydrophobicContact CZ-CE2 4.31Å; F260-F793 AromaticContact CZ-CZ 3.84Å; F260-F793 HydrophobicContact CZ-CZ 3.84Å; I311-F793 HydrophobicContact CD1-CZ 4.43Å; Y314-F793 HydrophobicContact CD2-CE2 4.07Å; Y314-F793 HydrophobicContact CE1-CE2 4.48Å; Y314-F793 AromaticContact CE2-CE2 3.96Å; Y314-F793 HydrophobicContact CE2-CE2 3.96Å; Y314-F793 HydrophobicContact CG-CE2 4.38Å; I789-F793 HydrophobicContact CG2-CD2 4.22Å; I789-F793 WeakPolarHBondContact O-CB 3.37Å; I789-F793 PolarHBondContact O-N 3.03Å
794P61.2Low61.8Low71 Ų71102.3 Ų102.346%0.46156%0.562SS.*  trans-60144.2177.326.9-35000110.7Y172 L310 Y792 S796Y172-P794 HydrophobicContact CE1-CG 4.43Å; L310-P794 HydrophobicContact CD1-CG 4.42Å; Y792-P794 WeakPolarHBondContact O-CD 3.48Å; P794-S796 PolarHBondContact O-N 2.94Å
795R55.8Low60.5Low234 Ų234106 Ų10688%0.88358%0.579SS**  trans-61.7122.2174.6-174.9-178.8179.594.5-1108.7G797R795-G797 PolarHBondContact O-N 3.26Å
796S52.3Low59.2Low126 Ų126110.7 Ų110.788%0.88161%0.605SS**SBendtrans-72.665-171.561.40000113.4P794P794-S796 PolarHBondContact O-N 2.94Å
797G46.1Very low57.8Low61 Ų61115.3 Ų115.363%0.62962%0.623SS**  trans-166.619.2-172.100000116.7R795R795-G797 PolarHBondContact O-N 3.26Å
798E42.5Very low56.1Low179 Ų179116.4 Ų116.484%0.83663%0.63SS**  trans-119.280.3167.3-70.7-175.4136.600109S800E798-S800 PolarHBondContact O-N 3.47Å
799D42.5Very low54.3Low128 Ų128123.4 Ų123.468%0.68467%0.668SS**  trans-68.381.8161.8-79.9-70.4000108.1K177 E801K177-D799 IonicContact NZ-OD1 2.67Å; K177-D799 PolarHBondContact NZ-OD1 3.22Å; K177-D799 IonicContact NZ-OD2 2.76Å; D799-E801 PolarHBondContact O-N 3.28Å
800S40Very low52.4Low99 Ų99128 Ų12869%0.69269%0.693SS**  trans-73.8122171.637.90000110.2E798 E802E798-S800 PolarHBondContact O-N 3.47Å; S800-E802 PolarHBondContact O-N 3.43Å
801E35.4Very low50.3Low176 Ų176126.9 Ų126.982%0.82269%0.689SS**  trans-69.287.2-176-66.5175.8110.900111.8D799 T803D799-E801 PolarHBondContact O-N 3.28Å; E801-T803 HydrophobicContact CB-CG2 4.37Å; E801-T803 PolarHBondContact O-N 2.86Å
802E34.2Very low47.8Very low152 Ų152128.1 Ų128.171%0.7170%0.697SS**  trans-7963.4164.3-162.7176.3-101.700109.5K169 S800K169-E802 IonicContact NZ-OE2 2.75Å; K169-E802 PolarHBondContact NZ-OE2 2.94Å; S800-E802 PolarHBondContact O-N 3.43Å
803T30.3Very low45.3Very low113 Ų113134.2 Ų134.269%0.69374%0.737SS**  trans-88.5108.4174.349.90000111.1E801E801-T803 HydrophobicContact CB-CG2 4.37Å; E801-T803 PolarHBondContact O-N 2.86Å
804T30.3Very low42.8Very low210 Ų210140.8 Ų140.8100%1.28878%0.78SS**  trans-1360164.438.50000110.4

Retrieved 804 of 804 residues in 334 ms (Link to these results)

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